Detailed results of CSR4_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  1384
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :     0
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   220
#          BACKBONE-BACKBONE                :        92
#          BACKBONE-SIDE CHAIN              :        72
#          SIDE CHAIN-SIDE CHAIN            :        56
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   774
#          BACKBONE-BACKBONE                :       296
#          BACKBONE-SIDE CHAIN              :       200
#          SIDE CHAIN-SIDE CHAIN            :       278
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   390
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  1018
# INTER-CHAIN RESTRAINTS                    :   366
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 PRO     2      0    0.0    0.0    0.0    0.0    0.0
 ILE     3      0    0.0    0.0    0.0    0.0    0.0
 VAL     4      0    0.0    0.0    0.0    0.0    0.0
 SER     5      0    1.0    0.0    1.0    0.0    0.0
 LYS     6      0    0.0    0.0    0.0    0.0    0.0
 TYR     7      0   10.0    0.5    1.5    8.0    5.5
 SER     8      0    6.0    1.0    5.0    0.0    0.0
 ASN     9      0    4.0    1.0    3.0    0.0    0.0
 GLU    10      0    4.0    1.0    3.0    0.0    0.0
 ARG    11      0   10.5    0.5    9.5    0.5    0.5
 VAL    12      0   14.0    1.0    5.5    7.5    5.0
 GLU    13      0    8.0    1.5    6.5    0.0    0.0
 LYS    14      0    7.0    1.5    5.5    0.0    0.0
 ILE    15      0   19.0    1.0   10.0    8.0    8.0
 ILE    16      0   15.0    0.0    6.5    8.5    8.5
 GLN    17      0    6.0    0.5    5.5    0.0    0.0
 ASP    18      0   10.5    1.0    9.5    0.0    2.5
 LEU    19      0   13.0    1.0   10.0    2.0    7.0
 LEU    20      0   13.5    1.5    6.5    5.5    5.5
 ASP    21      0   11.0    3.0    8.0    0.0    0.0
 VAL    22      0   15.5    4.0   10.5    1.0    6.5
 LEU    23      0   13.5    2.5    6.0    5.0    4.0
 VAL    24      0    6.0    1.0    5.0    0.0    0.0
 LYS    25      0    6.5    1.5    5.0    0.0    0.0
 GLU    26      0    9.5    2.0    5.0    2.5    2.5
 GLU    27      0    3.5    1.5    2.0    0.0    0.0
 VAL    28      0   10.5    1.0    6.0    3.5    1.5
 THR    29      0    9.0    4.0    4.0    1.0    1.0
 PRO    30      0    9.5    3.5    3.0    3.0    3.0
 ASP    31      0    4.5    1.0    3.5    0.0    0.0
 LEU    32      0   23.0    2.0   13.0    8.0    8.0
 ALA    33      0   14.5    2.5    5.5    6.5    3.5
 LEU    34      0   13.0    2.5    3.0    7.5    7.5
 MET    35      0   14.0    2.0    9.0    3.0    3.0
 CYS    36      0   12.5    1.5    5.0    6.0    6.0
 LEU    37      0    9.0    0.5    8.5    0.0    2.5
 GLY    38      0   10.0    1.0    5.0    4.0    4.5
 ASN    39      0   15.0    2.5    8.5    4.0    4.0
 ALA    40      0   13.0    3.0    5.5    4.5    5.5
 VAL    41      0   23.5    2.5   12.5    8.5    8.0
 THR    42      0    9.0    2.0    3.5    3.5    3.5
 ASN    43      0    6.5    1.0    3.5    2.0    2.0
 ILE    44      0   17.5    0.5    7.5    9.5    9.5
 ILE    45      0   24.5    2.0    6.5   16.0    5.0
 ALA    46      0    8.5    4.0    3.5    1.0    0.5
 GLN    47      0   11.0    3.5    6.5    1.0    1.0
 VAL    48      0   14.0    5.0    4.5    4.5    1.0
 PRO    49      0    8.5    4.0    4.5    0.0    0.0
 GLU    50      0    9.0    1.0    8.0    0.0    0.0
 SER    51      0    4.5    2.0    2.5    0.0    0.0
 LYS    52      0   10.0    1.5    8.5    0.0    0.0
 ARG    53      0   21.5    1.5   11.0    9.0    1.5
 VAL    54      0    8.0    3.0    3.5    1.5    1.0
 ALA    55      0    7.5    2.5    5.0    0.0    0.0
 VAL    56      0    9.5    1.0    5.5    3.0    0.0
 VAL    57      0   14.5    1.5    6.0    7.0    3.5
 ASP    58      0    9.0    1.5    6.5    1.0    1.0
 ASN    59      0    8.0    1.0    7.0    0.0    0.0
 PHE    60      0   23.5    2.5   11.0   10.0   11.0
 THR    61      0   13.0    3.0   10.0    0.0    4.5
 LYS    62      0    9.0    2.0    7.0    0.0    0.0
 ALA    63      0    5.0    1.0    4.0    0.0    0.0
 LEU    64      0   19.0    0.0   11.0    8.0   12.5
 LYS    65      0    8.5    0.0    6.0    2.5    4.5
 GLN    66      0    4.0    0.5    3.5    0.0    0.0
 SER    67      0    5.0    1.5    3.5    0.0    0.0
 VAL    68      0    9.0    1.0    2.0    6.0    6.0
 LEU    69      0    3.0    0.0    2.0    1.0    1.0
 GLU    70      0    2.5    1.0    1.5    0.0    0.0
 HIS    71      0    1.5    1.0    0.0    0.5    0.5
 HIS    72      0    0.0    0.0    0.0    0.0    0.0
 HIS    73      0    0.0    0.0    0.0    0.0    0.0
 HIS    74      0    0.0    0.0    0.0    0.0    0.0
 HIS    75      0    0.0    0.0    0.0    0.0    0.0
 HIS    76      0    0.0    0.0    0.0    0.0    0.0
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 PRO     2      0    0.0    0.0    0.0    0.0    0.0
 ILE     3      0    0.0    0.0    0.0    0.0    0.0
 VAL     4      0    0.0    0.0    0.0    0.0    0.0
 SER     5      0    1.0    0.0    1.0    0.0    0.0
 LYS     6      0    0.0    0.0    0.0    0.0    0.0
 TYR     7      0   10.0    0.5    1.5    8.0    5.5
 SER     8      0    6.0    1.0    5.0    0.0    0.0
 ASN     9      0    4.0    1.0    3.0    0.0    0.0
 GLU    10      0    4.0    1.0    3.0    0.0    0.0
 ARG    11      0   10.5    0.5    9.5    0.5    0.5
 VAL    12      0   14.0    1.0    5.5    7.5    5.0
 GLU    13      0    8.0    1.5    6.5    0.0    0.0
 LYS    14      0    7.0    1.5    5.5    0.0    0.0
 ILE    15      0   19.0    1.0   10.0    8.0    8.0
 ILE    16      0   15.0    0.0    6.5    8.5    8.5
 GLN    17      0    6.0    0.5    5.5    0.0    0.0
 ASP    18      0   10.5    1.0    9.5    0.0    2.5
 LEU    19      0   13.0    1.0   10.0    2.0    7.0
 LEU    20      0   13.5    1.5    6.5    5.5    5.5
 ASP    21      0   11.0    3.0    8.0    0.0    0.0
 VAL    22      0   15.5    4.0   10.5    1.0    6.5
 LEU    23      0   13.5    2.5    6.0    5.0    4.0
 VAL    24      0    6.0    1.0    5.0    0.0    0.0
 LYS    25      0    6.5    1.5    5.0    0.0    0.0
 GLU    26      0    9.5    2.0    5.0    2.5    2.5
 GLU    27      0    3.5    1.5    2.0    0.0    0.0
 VAL    28      0   10.5    1.0    6.0    3.5    1.5
 THR    29      0    9.0    4.0    4.0    1.0    1.0
 PRO    30      0    9.5    3.5    3.0    3.0    3.0
 ASP    31      0    4.5    1.0    3.5    0.0    0.0
 LEU    32      0   23.0    2.0   13.0    8.0    8.0
 ALA    33      0   14.5    2.5    5.5    6.5    3.5
 LEU    34      0   13.0    2.5    3.0    7.5    7.5
 MET    35      0   14.0    2.0    9.0    3.0    3.0
 CYS    36      0   12.5    1.5    5.0    6.0    6.0
 LEU    37      0    9.0    0.5    8.5    0.0    2.5
 GLY    38      0   10.0    1.0    5.0    4.0    4.5
 ASN    39      0   15.0    2.5    8.5    4.0    4.0
 ALA    40      0   13.0    3.0    5.5    4.5    5.5
 VAL    41      0   23.5    2.5   12.5    8.5    8.0
 THR    42      0    9.0    2.0    3.5    3.5    3.5
 ASN    43      0    6.5    1.0    3.5    2.0    2.0
 ILE    44      0   17.5    0.5    7.5    9.5    9.5
 ILE    45      0   24.5    2.0    6.5   16.0    5.0
 ALA    46      0    8.5    4.0    3.5    1.0    0.5
 GLN    47      0   11.0    3.5    6.5    1.0    1.0
 VAL    48      0   14.0    5.0    4.5    4.5    1.0
 PRO    49      0    8.5    4.0    4.5    0.0    0.0
 GLU    50      0    9.0    1.0    8.0    0.0    0.0
 SER    51      0    4.5    2.0    2.5    0.0    0.0
 LYS    52      0   10.0    1.5    8.5    0.0    0.0
 ARG    53      0   21.5    1.5   11.0    9.0    1.5
 VAL    54      0    8.0    3.0    3.5    1.5    1.0
 ALA    55      0    7.5    2.5    5.0    0.0    0.0
 VAL    56      0    9.5    1.0    5.5    3.0    0.0
 VAL    57      0   14.5    1.5    6.0    7.0    3.5
 ASP    58      0    9.0    1.5    6.5    1.0    1.0
 ASN    59      0    8.0    1.0    7.0    0.0    0.0
 PHE    60      0   23.5    2.5   11.0   10.0   11.0
 THR    61      0   13.0    3.0   10.0    0.0    4.5
 LYS    62      0    9.0    2.0    7.0    0.0    0.0
 ALA    63      0    5.0    1.0    4.0    0.0    0.0
 LEU    64      0   19.0    0.0   11.0    8.0   12.5
 LYS    65      0    8.5    0.0    6.0    2.5    4.5
 GLN    66      0    4.0    0.5    3.5    0.0    0.0
 SER    67      0    5.0    1.5    3.5    0.0    0.0
 VAL    68      0    9.0    1.0    2.0    6.0    6.0
 LEU    69      0    3.0    0.0    2.0    1.0    1.0
 GLU    70      0    2.5    1.0    1.5    0.0    0.0
 HIS    71      0    1.5    1.0    0.0    0.5    0.5
 HIS    72      0    0.0    0.0    0.0    0.0    0.0
 HIS    73      0    0.0    0.0    0.0    0.0    0.0
 HIS    74      0    0.0    0.0    0.0    0.0    0.0
 HIS    75      0    0.0    0.0    0.0    0.0    0.0
 HIS    76      0    0.0    0.0    0.0    0.0    0.0
# TOTAL          0 1384.0  220.0  774.0  390.0  366.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 1384.0

List of conformationally-resticting NOE constraints

 assign ((segid  A and resid  13 and name HN   ))   ((segid  A and resid   9 and name C assign ((segid  B and resid  13 and name HN   ))   ((segid  B and resid   9 and name C assign ((segid  A and resid   7 and name HB#  ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid   7 and name HB#  ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid   7 and name HD#  ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid   7 and name HD#  ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid   7 and name HD#  ))   ((segid  B and resid  35 and name HE#  )) assign ((segid  A and resid   7 and name HE#  ))   ((segid  B and resid  29 and name HB   )) assign ((segid  A and resid   7 and name HE#  ))   ((segid  B and resid  29 and name HG2# )) assign ((segid  A and resid   7 and name HE#  ))   ((segid  B and resid  32 and name HA   )) assign ((segid  A and resid   7 and name HE#  ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid   7 and name HE#  ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid   7 and name HE#  ))   ((segid  B and resid  35 and name HE#  )) assign ((segid  A and resid  11 and name HE   ))   ((segid  B and resid  28 and name HG1# )) assign ((segid  A and resid  12 and name HA   ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid  12 and name HA   ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid  12 and name HN   ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid  12 and name HG1# ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid  12 and name HG1# ))   ((segid  B and resid  35 and name HB#  )) assign ((segid  A and resid  12 and name HG1# ))   ((segid  B and resid  35 and name HE#  )) assign ((segid  A and resid  12 and name HG1# ))   ((segid  B and resid  35 and name HG#  )) assign ((segid  A and resid  12 and name HG1# ))   ((segid  B and resid  36 and name HA   )) assign ((segid  A and resid  12 and name HG2# ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid  12 and name HG2# ))   ((segid  B and resid  35 and name HE#  )) assign ((segid  A and resid  15 and name HA   ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  26 and name HB#  )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  26 and name HG1  )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  26 and name HG2  )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  28 and name HG1# )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  32 and name HD1# )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid  15 and name HD1# ))   ((segid  B and resid  32 and name HG   )) assign ((segid  A and resid  15 and name HG1# ))   ((segid  B and resid  26 and name HB#  )) assign ((segid  A and resid  15 and name HG1# ))   ((segid  B and resid  26 and name HG#  )) assign ((segid  A and resid  15 and name HG2# ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  15 and name HG2# ))   ((segid  B and resid  28 and name HG1# )) assign ((segid  A and resid  15 and name HG2# ))   ((segid  B and resid  32 and name HD2# )) assign ((segid  A and resid  15 and name HG2# ))   ((segid  B and resid  33 and name HA   )) assign ((segid  A and resid  15 and name HG2# ))   ((segid  B and resid  36 and name HB1  )) assign ((segid  A and resid  15 and name HG2# ))   ((segid  B and resid  36 and name HB2  )) assign ((segid  A and resid  16 and name HD1# ))   ((segid  B and resid  36 and name HA   )) assign ((segid  A and resid  16 and name HD1# ))   ((segid  B and resid  36 and name HB#  )) assign ((segid  A and resid  16 and name HD1# ))   ((segid  B and resid  39 and name HB1  )) assign ((segid  A and resid  16 and name HD1# ))   ((segid  B and resid  39 and name HB2  )) assign ((segid  A and resid  16 and name HD1# ))   ((segid  B and resid  39 and name HD2# )) assign ((segid  A and resid  16 and name HD1# ))   ((segid  B and resid  39 and name HN   )) assign ((segid  A and resid  16 and name HG11 ))   ((segid  B and resid  36 and name HA   )) assign ((segid  A and resid  16 and name HG11 ))   ((segid  B and resid  36 and name HB#  )) assign ((segid  A and resid  16 and name HG12 ))   ((segid  B and resid  36 and name HA   )) assign ((segid  A and resid  16 and name HG12 ))   ((segid  B and resid  36 and name HB#  )) assign ((segid  A and resid  16 and name HG1# ))   ((segid  B and resid  39 and name HN   )) assign ((segid  A and resid  16 and name HG2# ))   ((segid  B and resid  36 and name HB#  )) assign ((segid  A and resid  16 and name HG2# ))   ((segid  B and resid  39 and name HB1  )) assign ((segid  A and resid  16 and name HG2# ))   ((segid  B and resid  39 and name HB2  )) assign ((segid  A and resid  16 and name HG2# ))   ((segid  B and resid  40 and name HA   )) assign ((segid  A and resid  16 and name HG2# ))   ((segid  B and resid  40 and name HB#  )) assign ((segid  A and resid  16 and name HG2# ))   ((segid  B and resid  40 and name HN   )) assign ((segid  A and resid  18 and name HA   ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  18 and name HA   ))   ((segid  B and resid  22 and name HG2# )) assign ((segid  A and resid  18 and name HB#  ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  18 and name HB#  ))   ((segid  B and resid  22 and name HG2# )) assign ((segid  A and resid  18 and name HN   ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  19 and name HA   ))   ((segid  B and resid  22 and name HG2# )) assign ((segid  A and resid  19 and name HB#  ))   ((segid  B and resid  40 and name HB#  )) assign ((segid  A and resid  19 and name HD1# ))   ((segid  B and resid  36 and name HB#  )) assign ((segid  A and resid  19 and name HD1# ))   ((segid  B and resid  40 and name HB#  )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  22 and name HB   )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  22 and name HG2# )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  22 and name HN   )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  23 and name HB#  )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  23 and name HD1# )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  23 and name HD2# )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  23 and name HN   )) assign ((segid  A and resid  19 and name HD2# ))   ((segid  B and resid  36 and name HB#  )) assign ((segid  A and resid  19 and name HN   ))   ((segid  B and resid  22 and name HG1# )) assign ((segid  A and resid  20 and name HD1# ))   ((segid  B and resid  40 and name HA   )) assign ((segid  A and resid  20 and name HD1# ))   ((segid  B and resid  40 and name HB#  )) assign ((segid  A and resid  20 and name HD1# ))   ((segid  B and resid  43 and name HB#  )) assign ((segid  A and resid  20 and name HD1# ))   ((segid  B and resid  43 and name HD2# )) assign ((segid  A and resid  20 and name HD2# ))   ((segid  B and resid  40 and name HA   )) assign ((segid  A and resid  20 and name HD2# ))   ((segid  B and resid  40 and name HB#  )) assign ((segid  A and resid  20 and name HD2# ))   ((segid  B and resid  43 and name HB#  )) assign ((segid  A and resid  20 and name HD2# ))   ((segid  B and resid  43 and name HD2# )) assign ((segid  A and resid  20 and name HD2# ))   ((segid  B and resid  44 and name HD1# )) assign ((segid  A and resid  20 and name HD2# ))   ((segid  B and resid  44 and name HG1# )) assign 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and name HG1# )) assign ((segid  A and resid  33 and name HA   ))   ((segid  B and resid  44 and name HG2# )) assign ((segid  A and resid  33 and name HB#  ))   ((segid  B and resid  44 and name HB   )) assign ((segid  A and resid  33 and name HB#  ))   ((segid  B and resid  44 and name HD1# )) assign ((segid  A and resid  33 and name HB#  ))   ((segid  B and resid  44 and name HG1# )) assign ((segid  A and resid  33 and name HB#  ))   ((segid  B and resid  44 and name HG2# )) assign ((segid  A and resid  33 and name HN   ))   ((segid  B and resid  44 and name HG2# )) assign ((segid  A and resid  34 and name HD1# ))   ((segid  B and resid  44 and name HG2# )) assign ((segid  A and resid  34 and name HN   ))   ((segid  B and resid  44 and name HG2# )) assign ((segid  A and resid  34 and name HD1# ))   ((segid  B and resid  60 and name HD#  )) assign ((segid  A and resid  34 and name HD2# ))   ((segid  B and resid  41 and name HA   )) assign ((segid  A and resid  34 and name HD2# ))   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0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 1.20 1.80 0.00 1.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.10 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 1.70 1.80 0.00 1.70 1.80 0.00 3.20

list of removed NOE constraints

    66-> LEU A  19 HD1# - CYS  B  36 HB#   1.80  5.00 	 # Duplicated (  65)
   250-> LEU B  19 HD1# - CYS  A  36 HB#   1.80  5.00 	 # Duplicated ( 249)
 ====== TOTAL ======:  2

table of distance constraints violations


  Residual Violations greater than 0.10 

    8-> TYR  A   7 HE*  - THR  B  29 HB   [ 1.80  5.00]  0.00  0.08  0.00  0.00  0.00  0.13  0.00  0.00  0.20  0.00  0.09  0.00  0.04  0.02  0.00  0.03  0.00  0.07  0.00  0.02 -   9 [ 0.02 ..  0.20]
   38-> ILE  A  15 HG2* - ALA  B  33 HA   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  172-> PHE  A  60 HB*  - THR  B  61 HG2* [ 1.80  5.00]  0.27  0.13  0.22  0.30  0.19  0.10  0.22  0.20  0.14  0.18  0.15  0.08  0.23  0.20  0.10  0.28  0.19  0.04  0.20  0.36 -  20 [ 0.04 ..  0.36]
  184-> THR  A  61 HG2* - LYS  B  65 HE*  [ 1.80  5.00]  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.06  0.02  0.00  0.00  0.10 -   6 [ 0.02 ..  0.11]
  192-> TYR  B   7 HE*  - THR  A  29 HB   [ 1.80  5.00]  0.00  0.08  0.00  0.00  0.00  0.13  0.00  0.00  0.20  0.00  0.09  0.00  0.04  0.02  0.00  0.03  0.00  0.07  0.00  0.02 -   9 [ 0.02 ..  0.20]
  222-> ILE  B  15 HG2* - ALA  A  33 HA   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  356-> PHE  B  60 HB*  - THR  A  61 HG2* [ 1.80  5.00]  0.27  0.13  0.22  0.30  0.19  0.10  0.22  0.20  0.14  0.18  0.15  0.08  0.23  0.20  0.10  0.28  0.19  0.04  0.20  0.36 -  20 [ 0.04 ..  0.36]
  368-> THR  B  61 HG2* - LYS  A  65 HE*  [ 1.80  5.00]  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.06  0.02  0.00  0.00  0.10 -   6 [ 0.02 ..  0.11]
  379-> TYR  A   7 HE*  - VAL  A  12 HG2* [ 1.80  5.00]  0.03  0.05  0.00  0.04  0.00  0.01  0.01  0.03  0.00  0.05  0.05  0.00  0.00  0.00  0.00  0.12  0.08  0.00  0.00  0.00 -  11 [ 0.00 ..  0.12]
  413-> VAL  A  12 HA   - ILE  A  15 HB   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.20 ..  0.20]
  524-> GLU  A  26 HG*  - VAL  A  28 HN   [ 1.80  5.00]  0.12  0.08  0.08  0.11  0.11  0.08  0.08  0.12  0.11  0.13  0.12  0.08  0.11  0.10  0.28  0.07  0.11  0.09  0.08  0.08 -  20 [ 0.07 ..  0.28]
  672-> ILE  A  44 HG2* - GLN  A  47 HE22 [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.66  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.66 ..  0.66]
  707-> ALA  A  46 HA   - VAL  A  48 HG2* [ 1.80  5.00]  0.00  0.04  0.03  0.04  0.00  0.08  0.13  0.08  0.09  0.02  0.07  0.06  0.07  0.00  0.00  0.05  0.05  0.00  0.00  0.05 -  14 [ 0.02 ..  0.13]
  724-> VAL  A  48 HB   - ARG  A  53 HE   [ 1.80  5.00]  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.11  0.06  0.00 -   4 [ 0.01 ..  0.11]
  742-> PRO  A  49 HD3  - LYS  A  52 HD*  [ 1.80  5.00]  0.00  0.00  0.00  0.30  0.34  0.00  0.00  0.05  0.00  0.08  0.00  0.00  0.00  0.00  0.37  0.25  0.00  0.00  0.00  0.00 -   6 [ 0.05 ..  0.37]
  759-> GLU  A  50 HN   - ARG  A  53 HD*  [ 1.80  5.00]  0.09  0.36  0.38  0.34  0.38  0.25  0.00  0.30  0.41  0.35  0.00  0.36  0.38  0.00  0.37  0.36  0.35  0.00  0.31  0.35 -  17 [ 0.00 ..  0.41]
  761-> GLU  A  50 HN   - ARG  A  53 HH1* [ 1.80  5.00]  0.00  0.00  0.00  0.26  0.18  0.05  0.26  0.17  0.00  0.13  0.00  0.12  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00 -   8 [ 0.05 ..  0.26]
  772-> LYS  A  52 HG*  - VAL  A  56 HG2* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.00 -   1 [ 0.17 ..  0.17]
  887-> TYR  B   7 HE*  - VAL  B  12 HG2* [ 1.80  5.00]  0.03  0.05  0.00  0.04  0.00  0.01  0.01  0.03  0.00  0.05  0.05  0.00  0.00  0.00  0.00  0.12  0.08  0.00  0.00  0.00 -  11 [ 0.00 ..  0.12]
  921-> VAL  B  12 HA   - ILE  B  15 HB   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.20 ..  0.20]
 1032-> GLU  B  26 HG*  - VAL  B  28 HN   [ 1.80  5.00]  0.12  0.08  0.08  0.11  0.11  0.08  0.08  0.12  0.10  0.13  0.12  0.08  0.11  0.10  0.28  0.07  0.11  0.09  0.08  0.08 -  20 [ 0.07 ..  0.28]
 1180-> ILE  B  44 HG2* - GLN  B  47 HE22 [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.66  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.66 ..  0.66]
 1215-> ALA  B  46 HA   - VAL  B  48 HG2* [ 1.80  5.00]  0.00  0.04  0.03  0.04  0.00  0.08  0.13  0.08  0.09  0.02  0.07  0.05  0.07  0.00  0.00  0.05  0.05  0.00  0.00  0.05 -  14 [ 0.02 ..  0.13]
 1232-> VAL  B  48 HB   - ARG  B  53 HE   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.11  0.06  0.00 -   4 [ 0.00 ..  0.11]
 1250-> PRO  B  49 HD3  - LYS  B  52 HD*  [ 1.80  5.00]  0.00  0.00  0.00  0.30  0.34  0.00  0.00  0.05  0.00  0.08  0.00  0.00  0.00  0.00  0.37  0.25  0.00  0.00  0.00  0.00 -   6 [ 0.05 ..  0.37]
 1267-> GLU  B  50 HN   - ARG  B  53 HD*  [ 1.80  5.00]  0.09  0.36  0.38  0.34  0.38  0.25  0.00  0.30  0.41  0.35  0.00  0.36  0.38  0.00  0.37  0.36  0.35  0.00  0.31  0.35 -  17 [ 0.00 ..  0.41]
 1269-> GLU  B  50 HN   - ARG  B  53 HH1* [ 1.80  5.00]  0.00  0.00  0.00  0.26  0.18  0.05  0.26  0.17  0.00  0.13  0.00  0.12  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00 -   8 [ 0.05 ..  0.26]
 1280-> LYS  B  52 HG*  - VAL  B  56 HG2* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.00 -   1 [ 0.17 ..  0.17]
   -------------------------------------------  
       Number of Violations greater than 0.10               4     4     4    10    10     4    10     8     8     8     4     4     8     4     6    10     6     4     4     4
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:      2      2      0      2      6      2      4      6      4      6      4      2      4      2      0      4      4      4      2      0         3.00
      0.2 - 0.5  ang:      2      2      4      8      4      2      6      2      4      2      0      2      4      0      6      6      2      0      2      4         3.10
        > 0.5    ang:      0      0      0      0      0      0      0      0      0      0      0      0      0      2      0      0      0      0      0      0         0.10
        Total       :     30     45     38     44     42     48     52     46     38     40     38     38     40     44     40     46     51     24     38     36        40.90
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  :  0.271  0.363  0.383  0.339  0.375  0.251  0.257  0.302  0.409  0.351  0.146  0.361  0.383  0.659  0.375  0.364  0.345  0.172  0.309  0.356        0.659
    Max  Inter Viol :  0.271  0.135  0.219  0.296  0.187  0.132  0.217  0.200  0.204  0.178  0.146  0.081  0.229  0.195  0.099  0.275  0.195  0.074  0.198  0.356        0.356
    Max  Seque Viol :  0.000  0.031  0.020  0.013  0.028  0.053  0.005  0.075  0.038  0.000  0.014  0.027  0.019  0.026  0.000  0.000  0.037  0.000  0.075  0.000        0.075
    Max Medium Viol :  0.118  0.363  0.383  0.339  0.375  0.251  0.257  0.302  0.409  0.351  0.123  0.361  0.383  0.659  0.375  0.364  0.345  0.172  0.309  0.348        0.659
    Max   Long Viol :  0.025  0.049  0.000  0.090  0.000  0.007  0.014  0.028  0.002  0.047  0.050  0.005  0.000  0.055  0.000  0.115  0.079  0.113  0.061  0.000        0.115
 Average Violation  :  0.001  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.001  0.002  0.002  0.002  0.002  0.002  0.002  0.001  0.002  0.002      0.00179
    Avge Inter Viol :  0.002  0.002  0.002  0.002  0.002  0.001  0.004  0.003  0.003  0.002  0.002  0.001  0.003  0.002  0.002  0.002  0.002  0.001  0.002  0.003      0.00223
    Avge Seque Viol :  0.004  0.007  0.006  0.012  0.012  0.008  0.010  0.008  0.008  0.008  0.005  0.008  0.008  0.010  0.013  0.010  0.007  0.004  0.006  0.006      0.00810
    Avge Mediu Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000      0.00006
    Avge  Long Viol :  0.001  0.001  0.000  0.003  0.000  0.000  0.000  0.001  0.000  0.001  0.001  0.000  0.000  0.002  0.000  0.002  0.002  0.002  0.001  0.000      0.00084
 RMS     Violation  :  0.012  0.016  0.017  0.023  0.022  0.013  0.018  0.017  0.019  0.017  0.010  0.016  0.018  0.026  0.023  0.021  0.016  0.010  0.015  0.019      0.01787
   RMS   Inter      :  0.021  0.013  0.018  0.023  0.016  0.012  0.021  0.017  0.019  0.016  0.013  0.008  0.020  0.015  0.013  0.021  0.016  0.008  0.017  0.028      0.01744
   RMS   Sequential :  0.018  0.038  0.039  0.052  0.054  0.030  0.038  0.037  0.043  0.039  0.020  0.040  0.041  0.065  0.059  0.046  0.037  0.022  0.032  0.035      0.04097
   RMS Medium range :  0.000  0.002  0.001  0.001  0.001  0.003  0.000  0.004  0.002  0.000  0.001  0.001  0.001  0.001  0.000  0.000  0.002  0.000  0.004  0.000      0.00159
   RMS  Long range  :  0.004  0.007  0.000  0.014  0.000  0.001  0.002  0.004  0.000  0.007  0.007  0.001  0.000  0.008  0.000  0.017  0.011  0.016  0.009  0.000      0.00773


 Final --global-- Summary for 20 models, 1510 NOEs/model, 30200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :     54.019
    Summ sq. viol :      9.646
     Maximum viol :      0.659
     Average viol :    0.00179
        RMSD viol :    0.01787
   Std. Dev. viol :    0.01778
      RMS   Inter :    0.01744 
      RMS   Seque :    0.04097 
      RMS   Medi  :    0.00159 
      RMS   Long  :    0.00773

table of dihedral angle constraints violations


    ----  ACOSummary Of Residual ACO Constraint Violations ---- 

                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
   > 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
        Total       :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
     Max   PHI Viol :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
     Max   PSI Viol :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Average Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0         0.000
     Avge  PHI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
     Avge  PSI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
 RMS     Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
      RMS  PHI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
      RMS  PSI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000


 Final --global-- Summary for 20 models, 212 ACOs/model, 4240 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :       0.00
  Summ. Sq. Viol. :       0.00
      Max.  Viol. :      0.000
      Avg.  Viol. :    0.00000
      RMS   Viol. :    0.00000
  Std. Dev. Viol. :    0.00000

JPEG image for inter-residue distance constraints per residue plot

S(phi)|S(psi) V/S Residue number

Text output from PDBStat of phi psi order


#     CHAIN                                                              .GT.  SUM.GT.
#  RES  ID DIH  S(phi)  S(psi)  S(chi1) S(chi2) S(chi3) S(chi4) S(chi5)  0.90     1.6 
#  ----------------------------------------------------------------------------------- 
   MET  M   1           0.699   0.668   0.550   0.503                                
   PRO  M   2   0.990   0.685   0.920   0.868                                        
   ILE  M   3   0.735   0.713   0.575   0.920                                        
   VAL  M   4   0.744   0.360   0.435                                                
   SER  M   5   0.376   0.221   0.139                                                
   LYS  M   6   0.327   0.806   0.742   0.932   0.870   0.938                        
   TYR  M   7   0.073   0.853   0.674   0.494                                        
   SER  M   8   0.873   0.959   0.653                                                8 
   ASN  M   9   1.000   0.999   0.943   0.957                               9        9 
   GLU  M  10   0.999   0.997   0.759   1.000   1.000                      10       10 
   ARG  M  11   0.995   0.995   0.998   0.998   0.929   0.702   1.000      11       11 
   VAL  M  12   0.999   0.999   1.000                                      12       12 
   GLU  M  13   0.999   0.997   0.674   0.999   1.000                      13       13 
   LYS  M  14   1.000   0.999   1.000   0.997   0.997   0.600              14       14 
   ILE  M  15   0.999   0.996   0.926   0.913                              15       15 
   ILE  M  16   0.999   1.000   1.000   1.000                              16       16 
   GLN  M  17   1.000   1.000   1.000   1.000   1.000                      17       17 
   ASP  M  18   1.000   1.000   1.000   1.000                              18       18 
   LEU  M  19   1.000   1.000   1.000   1.000                              19       19 
   LEU  M  20   1.000   1.000   1.000   1.000                              20       20 
   ASP  M  21   1.000   1.000   1.000   1.000                              21       21 
   VAL  M  22   1.000   1.000   1.000                                      22       22 
   LEU  M  23   1.000   0.999   1.000   1.000                              23       23 
   VAL  M  24   1.000   0.999   1.000                                      24       24 
   LYS  M  25   0.998   0.997   0.629   1.000   1.000   1.000              25       25 
   GLU  M  26   0.999   0.999   0.999   0.998   0.990                      26       26 
   GLU  M  27   1.000   1.000   1.000   1.000   0.978                      27       27 
   VAL  M  28   0.997   0.998   0.999                                      28       28 
   THR  M  29   0.999   0.999   0.999                                      29       29 
   PRO  M  30   1.000   0.999   1.000   1.000                              30       30 
   ASP  M  31   1.000   0.999   0.870   0.933                              31       31 
   LEU  M  32   1.000   0.999   0.999   1.000                              32       32 
   ALA  M  33   1.000   1.000                                              33       33 
   LEU  M  34   0.999   0.998   1.000   1.000                              34       34 
   MET  M  35   0.999   0.998   0.999   0.997   0.768                      35       35 
   CYS  M  36   0.998   0.997   1.000                                      36       36 
   LEU  M  37   0.999   0.999   0.999   1.000                              37       37 
   GLY  M  38   0.999   1.000                                              38       38 
   ASN  M  39   0.999   1.000   1.000   0.986                              39       39 
   ALA  M  40   1.000   1.000                                              40       40 
   VAL  M  41   1.000   0.999   1.000                                      41       41 
   THR  M  42   1.000   0.998   1.000                                      42       42 
   ASN  M  43   1.000   0.997   1.000   0.989                              43       43 
   ILE  M  44   0.997   0.999   0.999   0.393                              44       44 
   ILE  M  45   1.000   1.000   1.000   1.000                              45       45 
   ALA  M  46   0.999   0.998                                              46       46 
   GLN  M  47   0.995   0.988   0.999   0.925   0.914                      47       47 
   VAL  M  48   0.983   0.988   0.719                                      48       48 
   PRO  M  49   0.997   0.995   0.983   0.967                              49       49 
   GLU  M  50   0.999   0.998   0.883   0.948   0.999                      50       50 
   SER  M  51   0.999   0.997   1.000                                      51       51 
   LYS  M  52   0.972   0.978   0.523   0.996   0.750   0.999              52       52 
   ARG  M  53   0.998   0.993   0.847   0.991   0.771   0.993   1.000      53       53 
   VAL  M  54   0.999   0.999   1.000                                      54       54 
   ALA  M  55   1.000   0.999                                              55       55 
   VAL  M  56   0.998   0.994   0.625                                      56       56 
   VAL  M  57   0.998   1.000   0.999                                      57       57 
   ASP  M  58   1.000   0.999   0.838   0.911                              58       58 
   ASN  M  59   1.000   0.999   1.000   1.000                              59       59 
   PHE  M  60   1.000   0.999   0.998   0.991                              60       60 
   THR  M  61   1.000   1.000   1.000                                      61       61 
   LYS  M  62   0.999   0.996   0.937   1.000   1.000   1.000              62       62 
   ALA  M  63   1.000   0.999                                              63       63 
   LEU  M  64   1.000   0.999   0.826   0.994                              64       64 
   LYS  M  65   0.999   0.998   0.686   0.996   0.995   0.997              65       65 
   GLN  M  66   0.998   0.998   0.598   0.174   0.832                      66       66 
   SER  M  67   0.998   0.998   0.918                                      67       67 
   VAL  M  68   0.997   0.998   0.999                                      68       68 
   LEU  M  69   0.997   0.992   0.815   0.732                              69       69 
   GLU  M  70   0.956   0.601   0.937   0.917   0.971                                
   HIS  M  71   0.645   0.362   0.576   0.240                                        
   HIS  M  72   0.541   0.165   0.406   0.155                                        
   HIS  M  73   0.567   0.388   0.394   0.291                                        
   HIS  M  74   0.729   0.520   0.448   0.205                                        
   HIS  M  75   0.682   0.315   0.544   0.713                                        
   HIS  M  76   0.840   0.646   0.730   0.438                                        
   MET  M  87   0.136   0.699   0.669   0.550   0.503                                
   PRO  M  88   0.990   0.685   0.920   0.868                                        
   ILE  M  89   0.734   0.713   0.575   0.920                                        
   VAL  M  90   0.744   0.360   0.435                                                
   SER  M  91   0.376   0.221   0.139                                                
   LYS  M  92   0.327   0.806   0.742   0.932   0.870   0.938                        
   TYR  M  93   0.073   0.853   0.674   0.494                                        
   SER  M  94   0.874   0.959   0.653                                               94 
   ASN  M  95   0.999   0.999   0.943   0.957                              95       95 
   GLU  M  96   0.999   0.997   0.759   1.000   1.000                      96       96 
   ARG  M  97   0.995   0.995   0.998   0.998   0.929   0.702   1.000      97       97 
   VAL  M  98   0.999   0.999   1.000                                      98       98 
   GLU  M  99   0.999   0.997   0.673   0.999   1.000                      99       99 
   LYS  M 100   1.000   0.999   1.000   0.997   0.997   0.600             100      100 
   ILE  M 101   0.999   0.996   0.926   0.913                             101      101 
   ILE  M 102   0.999   1.000   1.000   1.000                             102      102 
   GLN  M 103   1.000   1.000   1.000   1.000   1.000                     103      103 
   ASP  M 104   1.000   1.000   1.000   1.000                             104      104 
   LEU  M 105   1.000   1.000   1.000   1.000                             105      105 
   LEU  M 106   1.000   1.000   1.000   1.000                             106      106 
   ASP  M 107   1.000   1.000   1.000   1.000                             107      107 
   VAL  M 108   1.000   1.000   1.000                                     108      108 
   LEU  M 109   1.000   0.999   1.000   1.000                             109      109 
   VAL  M 110   1.000   0.999   1.000                                     110      110 
   LYS  M 111   0.998   0.997   0.629   1.000   1.000   1.000             111      111 
   GLU  M 112   0.999   0.999   0.999   0.998   0.990                     112      112 
   GLU  M 113   1.000   1.000   1.000   1.000   0.978                     113      113 
   VAL  M 114   0.997   0.998   0.999                                     114      114 
   THR  M 115   0.999   1.000   0.999                                     115      115 
   PRO  M 116   1.000   0.999   1.000   1.000                             116      116 
   ASP  M 117   1.000   0.999   0.870   0.933                             117      117 
   LEU  M 118   1.000   0.999   0.999   1.000                             118      118 
   ALA  M 119   1.000   1.000                                             119      119 
   LEU  M 120   0.999   0.998   1.000   1.000                             120      120 
   MET  M 121   0.999   0.998   0.999   0.997   0.768                     121      121 
   CYS  M 122   0.998   0.997   1.000                                     122      122 
   LEU  M 123   0.999   0.999   0.999   1.000                             123      123 
   GLY  M 124   0.999   1.000                                             124      124 
   ASN  M 125   0.999   1.000   1.000   0.986                             125      125 
   ALA  M 126   1.000   1.000                                             126      126 
   VAL  M 127   1.000   0.999   1.000                                     127      127 
   THR  M 128   1.000   0.998   1.000                                     128      128 
   ASN  M 129   1.000   0.997   1.000   0.989                             129      129 
   ILE  M 130   0.997   0.999   0.999   0.393                             130      130 
   ILE  M 131   1.000   1.000   1.000   1.000                             131      131 
   ALA  M 132   0.999   0.998                                             132      132 
   GLN  M 133   0.995   0.988   0.999   0.925   0.914                     133      133 
   VAL  M 134   0.983   0.988   0.719                                     134      134 
   PRO  M 135   0.997   0.995   0.983   0.967                             135      135 
   GLU  M 136   0.999   0.998   0.883   0.948   0.999                     136      136 
   SER  M 137   0.999   0.997   1.000                                     137      137 
   LYS  M 138   0.972   0.978   0.523   0.996   0.750   0.999             138      138 
   ARG  M 139   0.998   0.993   0.847   0.991   0.771   0.993   1.000     139      139 
   VAL  M 140   0.999   0.999   1.000                                     140      140 
   ALA  M 141   1.000   0.999                                             141      141 
   VAL  M 142   0.999   0.994   0.625                                     142      142 
   VAL  M 143   0.998   1.000   0.999                                     143      143 
   ASP  M 144   0.999   0.999   0.838   0.911                             144      144 
   ASN  M 145   1.000   0.999   1.000   1.000                             145      145 
   PHE  M 146   1.000   0.999   0.998   0.991                             146      146 
   THR  M 147   1.000   1.000   1.000                                     147      147 
   LYS  M 148   0.999   0.996   0.937   1.000   1.000   1.000             148      148 
   ALA  M 149   1.000   0.999                                             149      149 
   LEU  M 150   1.000   0.999   0.826   0.994                             150      150 
   LYS  M 151   0.999   0.998   0.686   0.996   0.995   0.997             151      151 
   GLN  M 152   0.998   0.998   0.598   0.174   0.832                     152      152 
   SER  M 153   0.998   0.998   0.918                                     153      153 
   VAL  M 154   0.997   0.998   0.999                                     154      154 
   LEU  M 155   0.997   0.992   0.815   0.732                             155      155 
   GLU  M 156   0.956   0.601   0.937   0.918   0.971                                
   HIS  M 157   0.645   0.362   0.576   0.240                                        
   HIS  M 158   0.541   0.165   0.407   0.155                                        
   HIS  M 159   0.567   0.388   0.394   0.291                                        
   HIS  M 160   0.729   0.520   0.448   0.205                                        
   HIS  M 161   0.682   0.315   0.544   0.713                                        
   HIS  M 162   0.841           0.730   0.439

JPEG image of S(phi)~Residue_number Plot

JPEG image of S(psi)~Residue_number Plot

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `CSR4_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  1 is: 0.390
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  2 is: 0.355
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  3 is: 0.372
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  4 is: 0.355
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  5 is: 0.794
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  6 is: 0.478
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  7 is: 0.444
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  8 is: 0.680
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model  9 is: 0.725
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 10 is: 0.364
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 11 is: 0.563
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 12 is: 0.296 (*)
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 13 is: 0.442
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 14 is: 0.534
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 15 is: 0.577
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 16 is: 0.427
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 17 is: 0.593
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 18 is: 0.502
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 19 is: 0.560
 > Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 20 is: 0.390
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[9..69],[95..155], is: 0.492 
 > Range of RMSD values to reference struct. is 0.296 to 0.794 


 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  1 is: 0.628
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  2 is: 0.616
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  3 is: 0.607
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  4 is: 0.578
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  5 is: 0.946
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  6 is: 0.639
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  7 is: 0.633
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  8 is: 0.875
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model  9 is: 0.898
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 10 is: 0.554
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 11 is: 0.792
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 12 is: 0.459 (*)
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 13 is: 0.656
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 14 is: 0.771
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 15 is: 0.871
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 16 is: 0.597
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 17 is: 0.761
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 18 is: 0.684
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 19 is: 0.794
 > Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 20 is: 0.650
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[9..69],[95..155], is: 0.701 
 > Range of RMSD values to reference struct. is 0.459 to 0.946

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..162],for model  1 is: 1.846
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  2 is: 2.928
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  3 is: 2.962
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  4 is: 1.694 (*)
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  5 is: 3.260
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  6 is: 2.326
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  7 is: 3.098
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  8 is: 2.604
 > Kabsch RMSD of backb atoms in res. *[1..162],for model  9 is: 3.088
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 10 is: 3.351
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 11 is: 2.437
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 12 is: 2.187
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 13 is: 3.191
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 14 is: 3.421
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 15 is: 3.215
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 16 is: 2.639
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 17 is: 2.769
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 18 is: 3.120
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 19 is: 2.304
 > Kabsch RMSD of backb atoms in res. *[1..162],for model 20 is: 2.244
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..162], is: 2.734 
 > Range of RMSD values to reference struct. is 1.694 to 3.421

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  1 is: 2.403
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  2 is: 3.376
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  3 is: 3.278
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  4 is: 2.203 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  5 is: 3.596
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  6 is: 2.667
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  7 is: 3.571
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  8 is: 3.060
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model  9 is: 3.340
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 10 is: 3.577
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 11 is: 2.849
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 12 is: 2.651
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 13 is: 3.586
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 14 is: 3.741
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 15 is: 3.456
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 16 is: 3.031
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 17 is: 3.009
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 18 is: 3.782
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 19 is: 2.736
 > Kabsch RMSD of heavy atoms in res. *[1..162],for model 20 is: 2.877
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..162], is: 3.139 
 > Range of RMSD values to reference struct. is 2.203 to 3.782

Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues

RMSD Values
	all residues	ordered residues	selected residues
All backbone atoms	2.7	0.5	0.5
All heavy atoms	3.1	0.7	0.7

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

CSR4_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

CSR4_R3Cons_em_bcr3.pdb.jpg

Output from PROCHECK

Ramachandran Plot for all models

Text summary of Ramachandran Plot


 +----------<<<  P  R  O  C  H  E  C  K     S  U  M  M  A  R  Y  >>>----------+
 |                                                                            |
 | CSR4_R3Cons_em_bcr3_020.rin   0.0                            2480 residues |
 |                                                                            |
 | Ramachandran plot:   99.1% core    0.9% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:   12 labelled residues (out of2480)                     |
 | Chi1-chi2 plots:      0 labelled residues (out of1480)                     |

JPEG image for all model Ramachandran Plot

Residue Properties for all models

JPEG for all model Residue Properties - page $num_n

Model Secondary Structures from Procheck

JPEG for Model Secondary Structures - page $num_n

Ramachandran Plots for each residue

JPEG for residue Ramachandran Plots - page $num_n

Ramachandran analysis for each residue from Molprobity

Chi1-Chi2 Plots for each residue

JPEG for residue Chi1-Chi2 Plots - page $num_n

Procheck G-factors for phi-psi for each residue

JPEG image for residue phi-psi G-factors

Table of Procheck G-factors for phi-psi for ordered residues

#phipsi_gfactor
#Residue\Model	average
8	-0.35
9	1.20
10	0.81
11	0.85
12	0.97
13	0.91
14	1.10
15	0.94
16	1.00
17	1.21
18	1.32
19	1.06
20	0.77
21	1.28
22	0.91
23	1.11
24	0.70
25	0.98
26	-0.49
27	-1.62
28	-1.89
29	-0.25
30	0.34
31	0.81
32	1.11
33	0.67
34	0.90
35	0.82
36	1.13
37	1.04
38	1.22
39	1.05
40	0.98
41	0.94
42	1.13
43	1.20
44	0.22
45	0.29
46	0.29
47	-0.29
48	-0.51
49	-0.08
50	0.50
51	0.72
52	-1.98
53	0.74
54	0.88
55	0.89
56	0.55
57	0.50
58	0.95
59	0.98
60	1.11
61	0.81
62	0.92
63	0.96
64	0.68
65	1.08
66	0.97
67	0.85
68	0.55
69	0.47
94	-0.35
95	1.21
96	0.82
97	0.85
98	0.97
99	0.91
100	1.10
101	0.94
102	1.00
103	1.21
104	1.32
105	1.06
106	0.77
107	1.28
108	0.91
109	1.11
110	0.70
111	0.97
112	-0.49
113	-1.62
114	-1.88
115	-0.25
116	0.34
117	0.81
118	1.11
119	0.67
120	0.90
121	0.82
122	1.13
123	1.04
124	1.21
125	1.05
126	0.98
127	0.94
128	1.13
129	1.20
130	0.22
131	0.25
132	0.27
133	-0.29
134	-0.51
135	-0.08
136	0.48
137	0.72
138	-1.98
139	0.74
140	0.88
141	0.89
142	0.55
143	0.50
144	0.95
145	0.98
146	1.11
147	0.81
148	0.92
149	0.96
150	0.68
151	1.08
152	0.97
153	0.85
154	0.55
155	0.47
#Reported_Model_Average	0.627
#Overall_Average_Reported	0.627

Procheck G-factors for all dihedral angles for each residue

JPEG image for residue all dihedral G-factors

Table of Procheck G-factors for all dihedrals for ordered residues

#alldih_gfactor
#Residue\Model	average
8	-0.09
9	1.15
10	0.98
11	0.80
12	0.83
13	0.98
14	0.95
15	0.83
16	0.94
17	0.70
18	1.23
19	0.96
20	0.84
21	1.21
22	0.82
23	1.00
24	0.70
25	0.95
26	-0.02
27	-0.25
28	-1.19
29	-0.01
30	0.34
31	0.90
32	0.73
33	0.67
34	0.90
35	0.60
36	1.00
37	0.87
38	1.22
39	1.06
40	0.98
41	0.68
42	0.87
43	1.15
44	0.30
45	0.60
46	0.29
47	0.44
48	0.00
49	-0.08
50	0.80
51	1.14
52	-0.63
53	0.55
54	0.77
55	0.89
56	0.44
57	-0.24
58	0.93
59	1.06
60	0.77
61	0.46
62	0.88
63	0.96
64	0.45
65	1.07
66	0.75
67	0.70
68	0.57
69	0.60
94	-0.14
95	1.15
96	0.98
97	0.80
98	0.81
99	0.97
100	0.95
101	0.84
102	0.94
103	0.70
104	1.23
105	0.97
106	0.84
107	1.21
108	0.83
109	1.00
110	0.72
111	0.94
112	-0.02
113	-0.25
114	-1.16
115	0.03
116	0.34
117	0.90
118	0.73
119	0.67
120	0.90
121	0.60
122	0.97
123	0.87
124	1.21
125	1.06
126	0.98
127	0.70
128	0.85
129	1.15
130	0.30
131	0.58
132	0.27
133	0.44
134	-0.01
135	-0.08
136	0.78
137	1.14
138	-0.63
139	0.55
140	0.76
141	0.89
142	0.45
143	-0.22
144	0.93
145	1.06
146	0.77
147	0.39
148	0.88
149	0.96
150	0.45
151	1.07
152	0.75
153	0.72
154	0.59
155	0.60
#Reported_Model_Average	0.657
#Overall_Average_Reported	0.657

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
8	0.17	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.59	0.34	0.34	0.34	0.34	0.34	0.17	0.34
9	0.41	-0.26	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
10	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
11	0.71	0.24	0.24	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.24	0.71	-0.44	0.71
12	-0.09	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
13	0.28	0.28	0.04	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28
14	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
15	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
16	0.81	0.81	0.81	0.81	0.81	0.81	-0.54	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81
17	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
18	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
19	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
20	-0.33	0.29	-0.33	0.29	-0.33	0.29	0.29	-0.33	-0.33	-0.33	0.29	0.29	-0.33	0.29	-0.33	0.29	-0.33	0.29	0.29	-0.33
21	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
22	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
23	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
24	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.74	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80
25	0.47	-0.10	-0.10	0.47	-0.10	-0.10	0.47	0.47	0.47	-0.10	0.47	0.47	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	0.47	-0.10
26	-0.46	-1.13	-1.13	-0.46	-1.13	-1.13	-0.46	-0.46	-0.46	-1.13	-0.46	-0.46	-1.13	-0.46	-0.46	-0.46	-1.13	-0.46	-0.46	-1.13
27	0.04	0.04	0.04	0.04	0.04	0.28	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.28	0.28	0.04	0.04	0.04	0.28	0.04
28	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
29	0.55	0.08	0.08	0.08	0.55	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.55	0.55	0.55	0.08	0.08	0.55	0.08	0.08
30	0.44	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.64	0.44	0.44	0.25	0.44	0.25	0.25
31	0.23	0.23	0.23	0.51	0.51	0.51	0.51	0.34	0.34	0.23	0.23	0.23	0.23	0.23	0.23	0.34	0.51	0.51	0.23	0.23
32	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
33	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
34	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06
35	-0.83	1.00	0.23	0.23	-0.83	0.23	-0.83	1.00	0.23	0.23	-0.83	-0.90	-0.83	-0.83	-0.83	0.23	0.23	-0.83	-0.83	-0.83
36	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29
37	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
38	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
39	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
40	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
41	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
42	0.55	0.55	0.55	0.08	0.55	0.55	0.08	0.55	0.55	0.55	0.55	0.55	0.08	0.55	0.55	0.08	0.08	0.55	0.08	0.55
43	0.51	-0.26	-0.26	-0.26	0.51	-0.26	-0.26	0.51	0.51	-0.26	-0.26	-0.26	-0.26	0.51	0.51	-0.26	0.51	-0.26	-0.26	0.51
44	0.93	0.81	0.93	0.81	0.81	0.81	0.81	0.93	0.93	0.93	0.93	0.81	0.81	0.93	0.93	0.93	0.93	0.81	0.93	0.81
45	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
46	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	0.49	0.49
47	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	-0.57	0.25	0.25	-0.03	0.25	-0.03	-0.03
48	-0.09	1.00	-0.09	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	-0.09	-0.09	1.00	1.00	1.00	1.00	1.00
49	0.44	0.25	0.25	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44
50	0.28	0.04	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.04	0.28	0.04	0.04	0.28	-0.59	0.28	0.04
51	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
52	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
53	0.71	0.71	0.71	-0.44	0.71	0.71	-0.44	-0.44	-0.44	0.71	0.71	0.71	0.71	-0.44	0.71	0.71	0.71	0.71	0.71	0.71
54	-0.09	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
55	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.49	0.14	0.14	0.14	0.14
56	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	1.00	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	-0.09	-0.09	-0.09	-0.09
57	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
58	0.34	0.34	0.34	0.51	0.34	0.34	0.34	0.34	0.34	0.34	0.51	0.34	0.34	0.34	0.51	0.51	0.51	0.51	0.34	0.51
59	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.41	0.41	0.41	0.41	-0.26	0.41	0.41	0.41	0.41
60	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40
61	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
62	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	0.47	-0.10
63	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
64	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
65	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.08	0.47	0.08	0.47
66	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.57	0.25	0.25	0.25	0.25	0.25	-0.03	0.25
67	0.17	0.17	0.17	0.17	0.17	0.34	0.17	0.17	0.34	0.17	0.17	0.34	0.59	0.34	0.34	0.17	0.17	0.17	0.17	0.17
68	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
69	-0.33	-0.68	-0.33	-0.33	-0.68	-0.33	-0.33	-0.68	-0.33	-0.68	-0.68	-0.33	-0.68	-0.68	-0.68	-0.33	-0.33	-0.33	-0.33	-0.33
94	0.17	0.17	0.17	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.17	0.34
95	0.41	0.51	0.51	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
96	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
97	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	-0.44	0.71
98	-0.09	1.00	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	-0.09	-0.09	0.66	-0.09	-0.09	1.00
99	0.04	0.28	0.04	0.04	0.28	0.28	0.28	0.28	0.28	0.04	0.04	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.04
100	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47
101	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
102	0.81	0.81	0.81	-0.54	0.81	0.81	-0.54	0.81	0.81	0.81	-0.54	-0.54	-0.54	0.81	0.81	0.81	0.81	-0.54	-0.54	0.81
103	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
104	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
105	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
106	-0.33	0.29	0.29	0.77	-0.33	0.29	0.29	-0.33	-0.33	-0.33	0.29	-0.33	-0.33	0.29	-0.33	0.29	-0.33	0.29	-0.33	-0.33
107	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
108	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
109	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
110	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.74	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80
111	-0.10	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	0.47	-0.10	0.47	0.47	-0.10	0.47	0.47
112	-0.46	-0.46	-0.59	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.59	-0.46	-0.46	-0.46
113	0.04	0.04	0.04	0.04	0.04	0.28	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.28	0.28	0.04	0.04	0.04	0.28	0.04
114	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
115	0.55	0.08	0.08	0.08	0.55	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.55	0.55	0.55	0.08	0.08	0.55	0.08	0.08
116	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.44
117	0.23	0.23	0.23	0.51	0.51	0.34	0.51	0.34	0.34	0.23	0.23	0.23	0.23	0.23	0.23	0.34	0.51	0.34	0.23	0.23
118	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
119	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
120	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
121	-0.83	1.00	0.23	0.23	-0.83	0.23	-0.90	0.91	1.00	0.23	0.23	0.23	-0.83	-0.83	-0.83	0.23	0.23	-0.83	-0.83	-0.83
122	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29
123	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
124	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
125	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	-0.26	0.51
126	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
127	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
128	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
129	0.51	0.51	0.51	-0.26	0.51	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	0.51	0.51
130	0.93	0.81	0.93	0.81	0.81	0.81	0.81	0.93	0.93	0.93	0.81	0.81	0.81	0.93	0.93	0.81	0.93	0.81	0.81	0.81
131	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
132	-0.25	-0.25	-0.25	0.49	0.49	-0.25	-0.25	0.49	-0.25	0.49	0.14	0.49	0.49	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49
133	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	-0.03	-0.03
134	-0.09	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	-0.09	1.00	1.00	1.00	1.00	-0.09	1.00
135	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44
136	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.04	0.28	-0.59	0.28	0.04
137	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
138	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.72	-0.72	0.47	0.47	0.47	0.47	0.47	-0.10	-0.72	0.47	0.47	0.47	0.47
139	0.71	0.71	0.71	-0.44	0.71	0.71	-0.44	-0.44	-0.44	0.71	0.71	0.71	0.71	-0.44	0.71	0.71	0.71	0.71	0.71	0.71
140	-0.09	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
141	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
142	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	1.00	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	-0.09	-0.09	-0.09	-0.09
143	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
144	0.51	0.51	0.34	0.51	0.51	0.51	0.34	0.34	0.34	0.34	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.51	0.34	0.51
145	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.41	0.41	0.41	0.41	-0.26	0.41	0.41	0.41	0.41
146	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40
147	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
148	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
149	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
150	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
151	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.72	-0.72	0.47	0.47	0.47
152	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25
153	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.59	0.17	0.17	0.17	0.17	0.17	0.17	0.17
154	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
155	-0.33	-0.68	-0.68	-0.33	-0.68	-0.33	-0.33	-0.68	-0.33	-0.68	-0.68	-0.33	-0.68	-0.68	-0.68	-0.33	-0.33	-0.68	-0.68	-0.33
#Reported_Model_Average	0.446	0.475	0.444	0.457	0.460	0.485	0.419	0.479	0.484	0.452	0.463	0.460	0.432	0.452	0.453	0.467	0.456	0.437	0.409	0.457
#Overall_Average_Reported	0.454

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
8	0.17	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.59	0.34	0.34	0.34	0.34	0.34	0.17	0.34
9	0.41	-0.26	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
10	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
11	0.71	0.24	0.24	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.24	0.71	-0.44	0.71
12	-0.09	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
13	0.28	0.28	0.04	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28
14	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
15	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
16	0.81	0.81	0.81	0.81	0.81	0.81	-0.54	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81
17	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
18	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
19	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
20	-0.33	0.29	-0.33	0.29	-0.33	0.29	0.29	-0.33	-0.33	-0.33	0.29	0.29	-0.33	0.29	-0.33	0.29	-0.33	0.29	0.29	-0.33
21	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
22	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
23	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
24	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.74	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80
25	0.47	-0.10	-0.10	0.47	-0.10	-0.10	0.47	0.47	0.47	-0.10	0.47	0.47	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	0.47	-0.10
26	-0.46	-1.13	-1.13	-0.46	-1.13	-1.13	-0.46	-0.46	-0.46	-1.13	-0.46	-0.46	-1.13	-0.46	-0.46	-0.46	-1.13	-0.46	-0.46	-1.13
27	0.04	0.04	0.04	0.04	0.04	0.28	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.28	0.28	0.04	0.04	0.04	0.28	0.04
28	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
29	0.55	0.08	0.08	0.08	0.55	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.55	0.55	0.55	0.08	0.08	0.55	0.08	0.08
30	0.44	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.64	0.44	0.44	0.25	0.44	0.25	0.25
31	0.23	0.23	0.23	0.51	0.51	0.51	0.51	0.34	0.34	0.23	0.23	0.23	0.23	0.23	0.23	0.34	0.51	0.51	0.23	0.23
32	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
33	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
34	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06
35	-0.83	1.00	0.23	0.23	-0.83	0.23	-0.83	1.00	0.23	0.23	-0.83	-0.90	-0.83	-0.83	-0.83	0.23	0.23	-0.83	-0.83	-0.83
36	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29
37	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
38	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
39	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
40	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
41	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
42	0.55	0.55	0.55	0.08	0.55	0.55	0.08	0.55	0.55	0.55	0.55	0.55	0.08	0.55	0.55	0.08	0.08	0.55	0.08	0.55
43	0.51	-0.26	-0.26	-0.26	0.51	-0.26	-0.26	0.51	0.51	-0.26	-0.26	-0.26	-0.26	0.51	0.51	-0.26	0.51	-0.26	-0.26	0.51
44	0.93	0.81	0.93	0.81	0.81	0.81	0.81	0.93	0.93	0.93	0.93	0.81	0.81	0.93	0.93	0.93	0.93	0.81	0.93	0.81
45	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
46	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	0.49	0.49
47	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	-0.57	0.25	0.25	-0.03	0.25	-0.03	-0.03
48	-0.09	1.00	-0.09	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	-0.09	-0.09	1.00	1.00	1.00	1.00	1.00
49	0.44	0.25	0.25	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44
50	0.28	0.04	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.04	0.28	0.04	0.04	0.28	-0.59	0.28	0.04
51	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
52	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
53	0.71	0.71	0.71	-0.44	0.71	0.71	-0.44	-0.44	-0.44	0.71	0.71	0.71	0.71	-0.44	0.71	0.71	0.71	0.71	0.71	0.71
54	-0.09	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
55	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.49	0.14	0.14	0.14	0.14
56	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	1.00	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	-0.09	-0.09	-0.09	-0.09
57	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
58	0.34	0.34	0.34	0.51	0.34	0.34	0.34	0.34	0.34	0.34	0.51	0.34	0.34	0.34	0.51	0.51	0.51	0.51	0.34	0.51
59	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.41	0.41	0.41	0.41	-0.26	0.41	0.41	0.41	0.41
60	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40
61	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
62	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	0.47	-0.10
63	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
64	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
65	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.08	0.47	0.08	0.47
66	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.57	0.25	0.25	0.25	0.25	0.25	-0.03	0.25
67	0.17	0.17	0.17	0.17	0.17	0.34	0.17	0.17	0.34	0.17	0.17	0.34	0.59	0.34	0.34	0.17	0.17	0.17	0.17	0.17
68	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
69	-0.33	-0.68	-0.33	-0.33	-0.68	-0.33	-0.33	-0.68	-0.33	-0.68	-0.68	-0.33	-0.68	-0.68	-0.68	-0.33	-0.33	-0.33	-0.33	-0.33
94	0.17	0.17	0.17	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.17	0.34
95	0.41	0.51	0.51	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
96	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
97	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	-0.44	0.71
98	-0.09	1.00	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	-0.09	-0.09	0.66	-0.09	-0.09	1.00
99	0.04	0.28	0.04	0.04	0.28	0.28	0.28	0.28	0.28	0.04	0.04	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.04
100	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47
101	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
102	0.81	0.81	0.81	-0.54	0.81	0.81	-0.54	0.81	0.81	0.81	-0.54	-0.54	-0.54	0.81	0.81	0.81	0.81	-0.54	-0.54	0.81
103	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
104	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
105	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
106	-0.33	0.29	0.29	0.77	-0.33	0.29	0.29	-0.33	-0.33	-0.33	0.29	-0.33	-0.33	0.29	-0.33	0.29	-0.33	0.29	-0.33	-0.33
107	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
108	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
109	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
110	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80	-0.74	-0.80	-0.80	-0.80	-0.80	-0.80	-0.80
111	-0.10	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	0.47	-0.10	0.47	0.47	-0.10	0.47	0.47
112	-0.46	-0.46	-0.59	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.59	-0.46	-0.46	-0.46
113	0.04	0.04	0.04	0.04	0.04	0.28	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.28	0.28	0.04	0.04	0.04	0.28	0.04
114	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
115	0.55	0.08	0.08	0.08	0.55	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.55	0.55	0.55	0.08	0.08	0.55	0.08	0.08
116	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.64	0.44
117	0.23	0.23	0.23	0.51	0.51	0.34	0.51	0.34	0.34	0.23	0.23	0.23	0.23	0.23	0.23	0.34	0.51	0.34	0.23	0.23
118	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
119	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
120	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
121	-0.83	1.00	0.23	0.23	-0.83	0.23	-0.90	0.91	1.00	0.23	0.23	0.23	-0.83	-0.83	-0.83	0.23	0.23	-0.83	-0.83	-0.83
122	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29	1.29
123	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
124	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
125	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	-0.26	0.51
126	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
127	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
128	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
129	0.51	0.51	0.51	-0.26	0.51	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	0.51	0.51
130	0.93	0.81	0.93	0.81	0.81	0.81	0.81	0.93	0.93	0.93	0.81	0.81	0.81	0.93	0.93	0.81	0.93	0.81	0.81	0.81
131	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
132	-0.25	-0.25	-0.25	0.49	0.49	-0.25	-0.25	0.49	-0.25	0.49	0.14	0.49	0.49	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49
133	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	-0.03	-0.03
134	-0.09	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	-0.09	1.00	1.00	1.00	1.00	-0.09	1.00
135	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.25	0.44	0.25	0.44	0.44	0.44
136	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.04	0.28	-0.59	0.28	0.04
137	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
138	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.72	-0.72	0.47	0.47	0.47	0.47	0.47	-0.10	-0.72	0.47	0.47	0.47	0.47
139	0.71	0.71	0.71	-0.44	0.71	0.71	-0.44	-0.44	-0.44	0.71	0.71	0.71	0.71	-0.44	0.71	0.71	0.71	0.71	0.71	0.71
140	-0.09	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.09	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
141	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
142	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	1.00	-0.09	-0.09	-0.09	-0.09	-0.09	-0.09	1.00	-0.09	-0.09	-0.09	-0.09
143	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
144	0.51	0.51	0.34	0.51	0.51	0.51	0.34	0.34	0.34	0.34	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.51	0.34	0.51
145	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.51	0.41	0.41	0.41	0.41	0.41	0.41	-0.26	0.41	0.41	0.41	0.41
146	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40
147	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
148	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
149	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
150	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
151	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.72	-0.72	0.47	0.47	0.47
152	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25
153	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.59	0.17	0.17	0.17	0.17	0.17	0.17	0.17
154	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
155	-0.33	-0.68	-0.68	-0.33	-0.68	-0.33	-0.33	-0.68	-0.33	-0.68	-0.68	-0.33	-0.68	-0.68	-0.68	-0.33	-0.33	-0.68	-0.68	-0.33
#Reported_Model_Average	0.446	0.475	0.444	0.457	0.460	0.485	0.419	0.479	0.484	0.452	0.463	0.460	0.432	0.452	0.453	0.467	0.456	0.437	0.409	0.457
#Overall_Average_Reported	0.454

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

Table of MAGE VdW violations for ordered residues across all models

#mage_clash
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
8.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
9.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
10.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
11.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
12.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
13.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
14.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
15.000	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0
16.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
17.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
18.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
19.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
20.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
21.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
22.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
23.000	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0
24.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
26.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
27.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
28.000	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0
29.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
30.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
31.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
32.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
33.000	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	1	1
34.000	0	0	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	1
35.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
36.000	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
37.000	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0
38.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
39.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
40.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
41.000	0	0	1	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	1	1
42.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
43.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1
45.000	1	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0
46.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
47.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
48.000	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0
49.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
50.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
52.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
53.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
54.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
55.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
56.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
57.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
58.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
59.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
60.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
61.000	1	0	1	0	1	1	1	1	1	1	1	1	0	1	1	0	1	0	1	0
62.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
63.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
64.000	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	2	2	0	0	2
65.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
66.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
67.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
68.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
69.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
94.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
95.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
96.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
97.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
98.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
99.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
100.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
101.000	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0
102.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
103.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
104.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
105.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
106.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
107.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
108.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
109.000	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0
110.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
111.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
112.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
113.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
114.000	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0
115.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
116.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
117.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
118.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
119.000	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	1
120.000	0	0	1	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	1
121.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
122.000	0	0	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	0
123.000	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
124.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
125.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
126.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
127.000	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1
128.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
129.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
130.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	1
131.000	1	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0
132.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
133.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
134.000	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0
135.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
136.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
137.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
138.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
139.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
140.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
141.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
142.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
143.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
144.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
145.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
146.000	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
147.000	1	0	1	0	1	1	1	1	1	1	1	1	0	1	1	0	1	0	1	0
148.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
149.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
150.000	0	0	0	2	0	0	1	0	0	0	0	0	0	0	0	2	2	0	0	2
151.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
152.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
153.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
154.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
155.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
#Reported_Model_Average	0.048	0.000	0.065	0.065	0.016	0.016	0.177	0.113	0.065	0.048	0.016	0.016	0.032	0.032	0.048	0.040	0.065	0.048	0.129	0.097
#Overall_Average_Reported	0.057

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 131 ILE  O   :M 134 VAL 2HG2 :   -0.468:        0

:  2433:M  45 ILE  O   :M  48 VAL 2HG2 :   -0.464:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.433:        0
#sum2 ::1.23 clashscore : 1.23 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272139 potential dots:17010.0 A^2:3 bumps:3 bumps B<40:1022 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 158 HIS  HA  :M 162 HIS 1HB  :   -0.411:        0

:  2433:M  76 HIS 1HB  :M  72 HIS  HA  :   -0.410:        0
#sum2 ::0.82 clashscore : 0.82 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272320 potential dots:17020.0 A^2:2 bumps:2 bumps B<40:1077 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 158 HIS  HA  :M  53 ARG 1HD  :   -0.459:        0

:  2433:M 139 ARG 1HD  :M  72 HIS  HA  :   -0.446:        0

:  2433:M  34 LEU 2HD2 :M 127 VAL 3HG1 :   -0.445:        0

:  2433:M 120 LEU 2HD2 :M  41 VAL 3HG1 :   -0.435:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.416:        0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272213 potential dots:17010.0 A^2:5 bumps:5 bumps B<40:996.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M  88 PRO 2HD  :M  87 MET 2HB  :   -0.510:        0
:  2433:M  87 MET 2HB  :M  88 PRO  CD  :   -0.495:        0

:  2433:M   2 PRO 2HD  :M   1 MET 2HB  :   -0.506:        0
:  2433:M   2 PRO  CD  :M   1 MET 2HB  :   -0.487:        0

:  2433:M  73 HIS 1HB  :M  72 HIS  O   :   -0.474:        0

:  2433:M 158 HIS  O   :M 159 HIS 1HB  :   -0.471:        0

:  2433:M 131 ILE 2HG1 :M  34 LEU 1HD2 :   -0.437:        0

:  2433:M  45 ILE 2HG1 :M 120 LEU 1HD2 :   -0.436:        0

:  2433:M 150 LEU 3HD2 :M 150 LEU  C   :   -0.420:        0

:  2433:M  64 LEU 3HD2 :M  64 LEU  C   :   -0.409:        0
#sum2 ::4.11 clashscore : 4.11 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272346 potential dots:17020.0 A^2:10 bumps:10 bumps B<40:1006 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 157 HIS  O   :M 157 HIS  ND1 :   -0.737:        0

:  2433:M  71 HIS  O   :M  71 HIS  ND1 :   -0.730:        0

:  2433:M   5 SER  O   :M   6 LYS 1HB  :   -0.492:        0

:  2433:M  92 LYS 1HB  :M  91 SER  O   :   -0.486:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.433:        0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272605 potential dots:17040.0 A^2:5 bumps:5 bumps B<40:1005 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.410:        0
#sum2 ::0.41 clashscore : 0.41 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272312 potential dots:17020.0 A^2:1 bumps:1 bumps B<40:1098 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 101 ILE 1HD1 :M  36 CYS  SG  :   -0.513:        0
:  2433:M  98 VAL 3HG1 :M  36 CYS  SG  :   -0.480:        0
:  2433:M  36 CYS  SG  :M 101 ILE  CD1 :   -0.427:        0
:  2433:M 101 ILE  O   :M 105 LEU  HG  :   -0.405:        0

:  2433:M  15 ILE 1HD1 :M 122 CYS  SG  :   -0.511:        0
:  2433:M  12 VAL 3HG1 :M 122 CYS  SG  :   -0.478:        0
:  2433:M  15 ILE  CD1 :M 122 CYS  SG  :   -0.418:        0
:  2433:M  19 LEU  HG  :M  15 ILE  O   :   -0.403:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.440:        0

:  2433:M 146 PHE  CE2 :M 150 LEU 1HD1 :   -0.409:        0

:  2433:M  64 LEU 1HD1 :M  60 PHE  CE2 :   -0.405:        0
#sum2 ::4.52 clashscore : 4.52 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272253 potential dots:17020.0 A^2:11 bumps:11 bumps B<40:996.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M  92 LYS 1HB  :M  91 SER  O   :   -0.479:        0

:  2433:M   5 SER  O   :M   6 LYS 1HB  :   -0.471:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.456:        0

:  2433:M 123 LEU  O   :M 127 VAL 3HG2 :   -0.435:        0
:  2433:M  34 LEU 2HD2 :M 127 VAL 3HG1 :   -0.408:        0

:  2433:M  37 LEU  O   :M  41 VAL 3HG2 :   -0.416:        0
:  2433:M 120 LEU 2HD2 :M  41 VAL 3HG1 :   -0.403:        0

:  2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 :   -0.404:        0

:  2433:M  23 LEU 2HD2 :M  28 VAL 1HG2 :   -0.403:        0
#sum2 ::3.70 clashscore : 3.70 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272218 potential dots:17010.0 A^2:9 bumps:9 bumps B<40:1004 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.508:        0

:  2433:M   2 PRO  O   :M   3 ILE  HB  :   -0.463:        0

:  2433:M  89 ILE  HB  :M  88 PRO  O   :   -0.451:        0

:  2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 :   -0.430:        0

:  2433:M  28 VAL 1HG2 :M  23 LEU 2HD2 :   -0.426:        0

:  2433:M  37 LEU  O   :M  41 VAL 3HG2 :   -0.406:        0
#sum2 ::2.47 clashscore : 2.47 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272082 potential dots:17010.0 A^2:6 bumps:6 bumps B<40:1051 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.450:        0

:  2433:M  93 TYR 1HB  :M  92 LYS  O   :   -0.423:        0

:  2433:M   7 TYR 1HB  :M   6 LYS  O   :   -0.416:        0

:  2433:M 119 ALA 2HB  :M 114 VAL  CG2 :   -0.401:        0

:  2433:M  28 VAL  CG2 :M  33 ALA 2HB  :   -0.401:        0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272515 potential dots:17030.0 A^2:5 bumps:5 bumps B<40:1062 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M  92 LYS 2HB  :M  91 SER  O   :   -0.469:        0

:  2433:M   5 SER  O   :M   6 LYS 2HB  :   -0.467:        0

:  2433:M  61 THR 2HG2 :M 147 THR 2HG2 :   -0.431:        0
#sum2 ::1.23 clashscore : 1.23 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272248 potential dots:17020.0 A^2:3 bumps:3 bumps B<40:1101 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M   5 SER  O   :M   6 LYS 1HB  :   -0.420:        0

:  2433:M  92 LYS 1HB  :M  91 SER  O   :   -0.413:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.412:        0
#sum2 ::1.23 clashscore : 1.23 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272379 potential dots:17020.0 A^2:3 bumps:3 bumps B<40:1037 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M  89 ILE  O   :M  90 VAL  HB  :   -0.471:        0

:  2433:M   4 VAL  HB  :M   3 ILE  O   :   -0.470:        0

:  2433:M 157 HIS  CG  :M 158 HIS  N   :   -0.423:        0

:  2433:M 131 ILE 2HG1 :M  34 LEU 1HD2 :   -0.414:        0

:  2433:M  72 HIS  N   :M  71 HIS  CG  :   -0.413:        0

:  2433:M  45 ILE 2HG1 :M 120 LEU 1HD2 :   -0.403:        0
#sum2 ::2.47 clashscore : 2.47 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272218 potential dots:17010.0 A^2:6 bumps:6 bumps B<40:1032 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.433:        0

:  2433:M 130 ILE 1HG2 :M  33 ALA 3HB  :   -0.408:        0
#sum2 ::0.82 clashscore : 0.82 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272352 potential dots:17020.0 A^2:2 bumps:2 bumps B<40:1074 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.421:        0

:  2433:M  44 ILE 3HD1 :M 119 ALA 1HB  :   -0.414:        0

:  2433:M  33 ALA 1HB  :M 130 ILE 3HD1 :   -0.409:        0
#sum2 ::1.23 clashscore : 1.23 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272590 potential dots:17040.0 A^2:3 bumps:3 bumps B<40:1045 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 150 LEU 3HD2 :M 150 LEU  C   :   -0.464:        0

:  2433:M  64 LEU 3HD2 :M  64 LEU  C   :   -0.457:        0

:  2433:M  90 VAL  HB  :M  35 MET  SD  :   -0.400:        0
#sum2 ::1.23 clashscore : 1.23 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272210 potential dots:17010.0 A^2:3 bumps:3 bumps B<40:1036 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.526:        0

:  2433:M  64 LEU 3HD2 :M  64 LEU  C   :   -0.428:        0

:  2433:M 150 LEU 3HD2 :M 150 LEU  C   :   -0.421:        0

:  2433:M 115 THR  HB  :M 116 PRO 1HD  :   -0.402:        0
#sum2 ::1.64 clashscore : 1.64 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272369 potential dots:17020.0 A^2:4 bumps:4 bumps B<40:974.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M   7 TYR  CE2 :M   5 SER  HA  :   -0.485:        0

:  2433:M  93 TYR  CE2 :M  91 SER  HA  :   -0.479:        0

:  2433:M 131 ILE  O   :M 134 VAL 2HG2 :   -0.423:        0
:  2433:M 134 VAL  HB  :M 135 PRO 1HD  :   -0.412:        0

:  2433:M  45 ILE  O   :M  48 VAL 2HG2 :   -0.414:        0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272131 potential dots:17010.0 A^2:5 bumps:5 bumps B<40:1106 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M   5 SER  O   :M   6 LYS 1HB  :   -0.475:        0
:  2433:M   5 SER  O   :M   6 LYS  CB  :   -0.411:        0

:  2433:M  92 LYS 1HB  :M  91 SER  O   :   -0.474:        0
:  2433:M  91 SER  O   :M  92 LYS  CB  :   -0.407:        0

:  2433:M 147 THR  HB  :M  61 THR  HB  :   -0.464:        0

:  2433:M 131 ILE  O   :M 134 VAL 2HG2 :   -0.458:        0

:  2433:M  72 HIS 2HB  :M  71 HIS  O   :   -0.456:        0

:  2433:M  45 ILE  O   :M  48 VAL 2HG2 :   -0.454:        0

:  2433:M 157 HIS  O   :M 158 HIS 2HB  :   -0.440:        0

:  2433:M  44 ILE 3HD1 :M 119 ALA 1HB  :   -0.428:        0

:  2433:M  15 ILE 1HG1 :M 112 GLU 2HG  :   -0.421:        0

:  2433:M  33 ALA 1HB  :M 130 ILE 3HD1 :   -0.420:        0

:  2433:M 101 ILE 1HG1 :M  26 GLU 2HG  :   -0.413:        0

:  2433:M 120 LEU 2HD2 :M  41 VAL 3HG1 :   -0.401:        0
#sum2 ::5.75 clashscore : 5.75 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272404 potential dots:17030.0 A^2:14 bumps:14 bumps B<40:1002 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2433:M  64 LEU 3HD2 :M  64 LEU  C   :   -0.542:        0

:  2433:M 150 LEU 3HD2 :M 150 LEU  C   :   -0.540:        0

:  2433:M  88 PRO 2HD  :M  87 MET 2HB  :   -0.510:        0
:  2433:M  87 MET 2HB  :M  88 PRO  CD  :   -0.482:        0

:  2433:M   2 PRO  CD  :M   1 MET 2HB  :   -0.487:        0
:  2433:M   2 PRO 2HD  :M   1 MET 2HB  :   -0.477:        0

:  2433:M 120 LEU 2HD2 :M  41 VAL 3HG1 :   -0.457:        0

:  2433:M  34 LEU 2HD2 :M 127 VAL 3HG1 :   -0.452:        0

:  2433:M  33 ALA 1HB  :M 130 ILE 3HD1 :   -0.424:        0

:  2433:M  44 ILE 3HD1 :M 119 ALA 1HB  :   -0.415:        0
#sum2 ::4.11 clashscore : 4.11 clashscore B<40 
#summary::2433 atoms:2433 atoms B<40:272407 potential dots:17030.0 A^2:10 bumps:10 bumps B<40:992.8 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 9, 22:34:26 2013

[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]


The following checks were made on :
-----------------------------------------

CLOSE CONTACTS

==> Distances smaller than 2.2 Angstroms are considered as close contacts
    for heavy atoms, 1.6 Angstroms for hydrogens.

      none



DISTANCES AND ANGLES 

We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:

==> Bond and angle checks are performed by first computing the average rms
    error for all bonds and angles relative to standard values for nucleotide
    units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
    Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
    Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
    1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
    Bond and Angle Parameters for X-ray protein structure refinement, Acta
    Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
    dictionary values by more than six times this computed rms error is 
    identified as an outlier.



    *** Covalent Bond Lengths:


The RMS deviation for covalent bonds relative to the standard 
dictionary is   0.009 Angstroms


The following table contains a list of the covalent bonds
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2    Bond    Dictionary
             Name     ID     Number                 Distance    Value
------------------------------------------------------------------------
   0.082     PRO        A      2        4   CD   -  N      1.555     1.473
   0.084     PRO        B      2        4   CD   -  N      1.557     1.473
   0.066     PRO        A      2       12   CD   -  N      1.539     1.473
   0.066     PRO        B      2       12   CD   -  N      1.539     1.473

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    0.6 degrees.

The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2  -  AT3    Bond    Dictionary
             Name     ID     Number                                 Angle      Value
--------------------------------------------------------------------------------
    -7.6    CYS       A       36         1   N    -  CA   -  CB     102.9     110.5
    -7.6    CYS       B       36         1   N    -  CA   -  CB     102.9     110.5
    -7.7    CYS       A       36         2   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36         2   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       A       36         3   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36         3   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       A       36         4   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36         4   N    -  CA   -  CB     102.8     110.5
    -7.5    CYS       A       36         5   N    -  CA   -  CB     103.0     110.5
    -7.6    CYS       B       36         5   N    -  CA   -  CB     102.9     110.5
    -7.5    CYS       A       36         6   N    -  CA   -  CB     103.0     110.5
    -7.5    CYS       B       36         6   N    -  CA   -  CB     103.0     110.5
    -7.8    CYS       A       36         7   N    -  CA   -  CB     102.7     110.5
    -7.8    CYS       B       36         7   N    -  CA   -  CB     102.7     110.5
    -7.8    CYS       A       36         8   N    -  CA   -  CB     102.7     110.5
    -4.0    HIS       A       75         8   N    -  CA   -  C      107.2     111.2
    -7.8    CYS       B       36         8   N    -  CA   -  CB     102.7     110.5
    -4.0    HIS       B       75         8   N    -  CA   -  C      107.2     111.2
    -7.7    CYS       A       36         9   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36         9   N    -  CA   -  CB     102.8     110.5
    -7.8    CYS       A       36        10   N    -  CA   -  CB     102.7     110.5
    -7.8    CYS       B       36        10   N    -  CA   -  CB     102.7     110.5
    -7.7    CYS       A       36        11   N    -  CA   -  CB     102.8     110.5
    -4.2    HIS       A       75        11   N    -  CA   -  C      107.0     111.2
    -7.8    CYS       B       36        11   N    -  CA   -  CB     102.7     110.5
    -4.2    HIS       B       75        11   N    -  CA   -  C      107.0     111.2
    -7.7    CYS       A       36        12   N    -  CA   -  CB     102.8     110.5
    -7.8    CYS       B       36        12   N    -  CA   -  CB     102.7     110.5
    -7.8    CYS       A       36        13   N    -  CA   -  CB     102.7     110.5
    -7.7    CYS       B       36        13   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       A       36        14   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36        14   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       A       36        15   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36        15   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       A       36        16   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36        16   N    -  CA   -  CB     102.8     110.5
    -3.9    HIS       B       75        16   N    -  CA   -  C      107.3     111.2
    -7.7    CYS       A       36        17   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36        17   N    -  CA   -  CB     102.8     110.5
    -7.8    CYS       A       36        18   N    -  CA   -  CB     102.7     110.5
    -7.8    CYS       B       36        18   N    -  CA   -  CB     102.7     110.5
    -4.8    LYS       A        6        19   N    -  CA   -  C      106.4     111.2
    -7.7    CYS       A       36        19   N    -  CA   -  CB     102.8     110.5
    -4.8    LYS       B        6        19   N    -  CA   -  C      106.4     111.2
    -7.7    CYS       B       36        19   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       A       36        20   N    -  CA   -  CB     102.8     110.5
    -7.7    CYS       B       36        20   N    -  CA   -  CB     102.8     110.5


TORSION ANGLES
 
The torsion angle distributions have been checked.  The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.


CHIRALITY

The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. W�thrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized.  Any other stereochemical violations are listed below.


E/Z NOMENCLATURE

E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142]. 

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       ASN        9      1HD2
  1    A       ASN        9      2HD2
  1    A       GLN       17      1HE2
  1    A       GLN       17      2HE2
  1    A       ASN       39      1HD2
  1    A       ASN       39      2HD2
  1    A       ASN       43      1HD2
  1    A       ASN       43      2HD2
  1    A       GLN       47      1HE2
  1    A       GLN       47      2HE2
  1    A       ASN       59      1HD2
  1    A       ASN       59      2HD2
  1    A       GLN       66      1HE2
  1    A       GLN       66      2HE2
  1    B       ASN        9      1HD2
  1    B       ASN        9      2HD2
  1    B       GLN       17      1HE2
  1    B       GLN       17      2HE2
  1    B       ASN       39      1HD2
  1    B       ASN       39      2HD2
  1    B       ASN       43      1HD2
  1    B       ASN       43      2HD2
  1    B       GLN       47      1HE2
  1    B       GLN       47      2HE2
  1    B       ASN       59      1HD2
  1    B       ASN       59      2HD2
  1    B       GLN       66      1HE2
  1    B       GLN       66      2HE2
  2    A       ASN        9      1HD2
  2    A       ASN        9      2HD2
  2    A       GLN       17      1HE2
  2    A       GLN       17      2HE2
  2    A       ASN       39      1HD2
  2    A       ASN       39      2HD2
  2    A       ASN       43      1HD2
  2    A       ASN       43      2HD2
  2    A       GLN       47      1HE2
  2    A       GLN       47      2HE2
  2    A       ASN       59      1HD2
  2    A       ASN       59      2HD2
  2    A       GLN       66      1HE2
  2    A       GLN       66      2HE2
  2    B       ASN        9      1HD2
  2    B       ASN        9      2HD2
  2    B       GLN       17      1HE2
  2    B       GLN       17      2HE2
  2    B       ASN       39      1HD2
  2    B       ASN       39      2HD2
  2    B       ASN       43      1HD2
  2    B       ASN       43      2HD2
  2    B       GLN       47      1HE2
  2    B       GLN       47      2HE2
  2    B       ASN       59      1HD2
  2    B       ASN       59      2HD2
  2    B       GLN       66      1HE2
  2    B       GLN       66      2HE2
  3    A       ASN        9      1HD2
  3    A       ASN        9      2HD2
  3    A       GLN       17      1HE2
  3    A       GLN       17      2HE2
  3    A       ASN       39      1HD2
  3    A       ASN       39      2HD2
  3    A       ASN       43      1HD2
  3    A       ASN       43      2HD2
  3    A       GLN       47      1HE2
  3    A       GLN       47      2HE2
  3    A       ASN       59      1HD2
  3    A       ASN       59      2HD2
  3    A       GLN       66      1HE2
  3    A       GLN       66      2HE2
  3    B       ASN        9      1HD2
  3    B       ASN        9      2HD2
  3    B       GLN       17      1HE2
  3    B       GLN       17      2HE2
  3    B       ASN       39      1HD2
  3    B       ASN       39      2HD2
  3    B       ASN       43      1HD2
  3    B       ASN       43      2HD2
  3    B       GLN       47      1HE2
  3    B       GLN       47      2HE2
  3    B       ASN       59      1HD2
  3    B       ASN       59      2HD2
  3    B       GLN       66      1HE2
  3    B       GLN       66      2HE2
  4    A       ASN        9      1HD2
  4    A       ASN        9      2HD2
  4    A       GLN       17      1HE2
  4    A       GLN       17      2HE2
  4    A       ASN       39      1HD2
  4    A       ASN       39      2HD2
  4    A       ASN       43      1HD2
  4    A       ASN       43      2HD2
  4    A       GLN       47      1HE2
  4    A       GLN       47      2HE2
  4    A       ASN       59      1HD2
  4    A       ASN       59      2HD2
  4    A       GLN       66      1HE2
  4    A       GLN       66      2HE2
  4    B       ASN        9      1HD2
  4    B       ASN        9      2HD2
  4    B       GLN       17      1HE2
  4    B       GLN       17      2HE2
  4    B       ASN       39      1HD2
  4    B       ASN       39      2HD2
  4    B       ASN       43      1HD2
  4    B       ASN       43      2HD2
  4    B       GLN       47      1HE2
  4    B       GLN       47      2HE2
  4    B       ASN       59      1HD2
  4    B       ASN       59      2HD2
  4    B       GLN       66      1HE2
  4    B       GLN       66      2HE2
  5    A       ASN        9      1HD2
  5    A       ASN        9      2HD2
  5    A       GLN       17      1HE2
  5    A       GLN       17      2HE2
  5    A       ASN       39      1HD2
  5    A       ASN       39      2HD2
  5    A       ASN       43      1HD2
  5    A       ASN       43      2HD2
  5    A       GLN       47      1HE2
  5    A       GLN       47      2HE2
  5    A       ASN       59      1HD2
  5    A       ASN       59      2HD2
  5    A       GLN       66      1HE2
  5    A       GLN       66      2HE2
  5    B       ASN        9      1HD2
  5    B       ASN        9      2HD2
  5    B       GLN       17      1HE2
  5    B       GLN       17      2HE2
  5    B       ASN       39      1HD2
  5    B       ASN       39      2HD2
  5    B       ASN       43      1HD2
  5    B       ASN       43      2HD2
  5    B       GLN       47      1HE2
  5    B       GLN       47      2HE2
  5    B       ASN       59      1HD2
  5    B       ASN       59      2HD2
  5    B       GLN       66      1HE2
  5    B       GLN       66      2HE2
  6    A       ASN        9      1HD2
  6    A       ASN        9      2HD2
  6    A       GLN       17      1HE2
  6    A       GLN       17      2HE2
  6    A       ASN       39      1HD2
  6    A       ASN       39      2HD2
  6    A       ASN       43      1HD2
  6    A       ASN       43      2HD2
  6    A       GLN       47      1HE2
  6    A       GLN       47      2HE2
  6    A       ASN       59      1HD2
  6    A       ASN       59      2HD2
  6    A       GLN       66      1HE2
  6    A       GLN       66      2HE2
  6    B       ASN        9      1HD2
  6    B       ASN        9      2HD2
  6    B       GLN       17      1HE2
  6    B       GLN       17      2HE2
  6    B       ASN       39      1HD2
  6    B       ASN       39      2HD2
  6    B       ASN       43      1HD2
  6    B       ASN       43      2HD2
  6    B       GLN       47      1HE2
  6    B       GLN       47      2HE2
  6    B       ASN       59      1HD2
  6    B       ASN       59      2HD2
  6    B       GLN       66      1HE2
  6    B       GLN       66      2HE2
  7    A       ASN        9      1HD2
  7    A       ASN        9      2HD2
  7    A       GLN       17      1HE2
  7    A       GLN       17      2HE2
  7    A       ASN       39      1HD2
  7    A       ASN       39      2HD2
  7    A       ASN       43      1HD2
  7    A       ASN       43      2HD2
  7    A       GLN       47      1HE2
  7    A       GLN       47      2HE2
  7    A       ASN       59      1HD2
  7    A       ASN       59      2HD2
  7    A       GLN       66      1HE2
  7    A       GLN       66      2HE2
  7    B       ASN        9      1HD2
  7    B       ASN        9      2HD2
  7    B       GLN       17      1HE2
  7    B       GLN       17      2HE2
  7    B       ASN       39      1HD2
  7    B       ASN       39      2HD2
  7    B       ASN       43      1HD2
  7    B       ASN       43      2HD2
  7    B       GLN       47      1HE2
  7    B       GLN       47      2HE2
  7    B       ASN       59      1HD2
  7    B       ASN       59      2HD2
  7    B       GLN       66      1HE2
  7    B       GLN       66      2HE2
  8    A       ASN        9      1HD2
  8    A       ASN        9      2HD2
  8    A       GLN       17      1HE2
  8    A       GLN       17      2HE2
  8    A       ASN       39      1HD2
  8    A       ASN       39      2HD2
  8    A       ASN       43      1HD2
  8    A       ASN       43      2HD2
  8    A       GLN       47      1HE2
  8    A       GLN       47      2HE2
  8    A       ASN       59      1HD2
  8    A       ASN       59      2HD2
  8    A       GLN       66      1HE2
  8    A       GLN       66      2HE2
  8    B       ASN        9      1HD2
  8    B       ASN        9      2HD2
  8    B       GLN       17      1HE2
  8    B       GLN       17      2HE2
  8    B       ASN       39      1HD2
  8    B       ASN       39      2HD2
  8    B       ASN       43      1HD2
  8    B       ASN       43      2HD2
  8    B       GLN       47      1HE2
  8    B       GLN       47      2HE2
  8    B       ASN       59      1HD2
  8    B       ASN       59      2HD2
  8    B       GLN       66      1HE2
  8    B       GLN       66      2HE2
  9    A       ASN        9      1HD2
  9    A       ASN        9      2HD2
  9    A       GLN       17      1HE2
  9    A       GLN       17      2HE2
  9    A       ASN       39      1HD2
  9    A       ASN       39      2HD2
  9    A       ASN       43      1HD2
  9    A       ASN       43      2HD2
  9    A       GLN       47      1HE2
  9    A       GLN       47      2HE2
  9    A       ASN       59      1HD2
  9    A       ASN       59      2HD2
  9    A       GLN       66      1HE2
  9    A       GLN       66      2HE2
  9    B       ASN        9      1HD2
  9    B       ASN        9      2HD2
  9    B       GLN       17      1HE2
  9    B       GLN       17      2HE2
  9    B       ASN       39      1HD2
  9    B       ASN       39      2HD2
  9    B       ASN       43      1HD2
  9    B       ASN       43      2HD2
  9    B       GLN       47      1HE2
  9    B       GLN       47      2HE2
  9    B       ASN       59      1HD2
  9    B       ASN       59      2HD2
  9    B       GLN       66      1HE2
  9    B       GLN       66      2HE2
 10    A       ASN        9      1HD2
 10    A       ASN        9      2HD2
 10    A       GLN       17      1HE2
 10    A       GLN       17      2HE2
 10    A       ASN       39      1HD2
 10    A       ASN       39      2HD2
 10    A       ASN       43      1HD2
 10    A       ASN       43      2HD2
 10    A       GLN       47      1HE2
 10    A       GLN       47      2HE2
 10    A       ASN       59      1HD2
 10    A       ASN       59      2HD2
 10    A       GLN       66      1HE2
 10    A       GLN       66      2HE2
 10    B       ASN        9      1HD2
 10    B       ASN        9      2HD2
 10    B       GLN       17      1HE2
 10    B       GLN       17      2HE2
 10    B       ASN       39      1HD2
 10    B       ASN       39      2HD2
 10    B       ASN       43      1HD2
 10    B       ASN       43      2HD2
 10    B       GLN       47      1HE2
 10    B       GLN       47      2HE2
 10    B       ASN       59      1HD2
 10    B       ASN       59      2HD2
 10    B       GLN       66      1HE2
 10    B       GLN       66      2HE2
 11    A       ASN        9      1HD2
 11    A       ASN        9      2HD2
 11    A       GLN       17      1HE2
 11    A       GLN       17      2HE2
 11    A       ASN       39      1HD2
 11    A       ASN       39      2HD2
 11    A       ASN       43      1HD2
 11    A       ASN       43      2HD2
 11    A       GLN       47      1HE2
 11    A       GLN       47      2HE2
 11    A       ASN       59      1HD2
 11    A       ASN       59      2HD2
 11    A       GLN       66      1HE2
 11    A       GLN       66      2HE2
 11    B       ASN        9      1HD2
 11    B       ASN        9      2HD2
 11    B       GLN       17      1HE2
 11    B       GLN       17      2HE2
 11    B       ASN       39      1HD2
 11    B       ASN       39      2HD2
 11    B       ASN       43      1HD2
 11    B       ASN       43      2HD2
 11    B       GLN       47      1HE2
 11    B       GLN       47      2HE2
 11    B       ASN       59      1HD2
 11    B       ASN       59      2HD2
 11    B       GLN       66      1HE2
 11    B       GLN       66      2HE2
 12    A       ASN        9      1HD2
 12    A       ASN        9      2HD2
 12    A       GLN       17      1HE2
 12    A       GLN       17      2HE2
 12    A       ASN       39      1HD2
 12    A       ASN       39      2HD2
 12    A       ASN       43      1HD2
 12    A       ASN       43      2HD2
 12    A       GLN       47      1HE2
 12    A       GLN       47      2HE2
 12    A       ASN       59      1HD2
 12    A       ASN       59      2HD2
 12    A       GLN       66      1HE2
 12    A       GLN       66      2HE2
 12    B       ASN        9      1HD2
 12    B       ASN        9      2HD2
 12    B       GLN       17      1HE2
 12    B       GLN       17      2HE2
 12    B       ASN       39      1HD2
 12    B       ASN       39      2HD2
 12    B       ASN       43      1HD2
 12    B       ASN       43      2HD2
 12    B       GLN       47      1HE2
 12    B       GLN       47      2HE2
 12    B       ASN       59      1HD2
 12    B       ASN       59      2HD2
 12    B       GLN       66      1HE2
 12    B       GLN       66      2HE2
 13    A       ASN        9      1HD2
 13    A       ASN        9      2HD2
 13    A       GLN       17      1HE2
 13    A       GLN       17      2HE2
 13    A       ASN       39      1HD2
 13    A       ASN       39      2HD2
 13    A       ASN       43      1HD2
 13    A       ASN       43      2HD2
 13    A       GLN       47      1HE2
 13    A       GLN       47      2HE2
 13    A       ASN       59      1HD2
 13    A       ASN       59      2HD2
 13    A       GLN       66      1HE2
 13    A       GLN       66      2HE2
 13    B       ASN        9      1HD2
 13    B       ASN        9      2HD2
 13    B       GLN       17      1HE2
 13    B       GLN       17      2HE2
 13    B       ASN       39      1HD2
 13    B       ASN       39      2HD2
 13    B       ASN       43      1HD2
 13    B       ASN       43      2HD2
 13    B       GLN       47      1HE2
 13    B       GLN       47      2HE2
 13    B       ASN       59      1HD2
 13    B       ASN       59      2HD2
 13    B       GLN       66      1HE2
 13    B       GLN       66      2HE2
 14    A       ASN        9      1HD2
 14    A       ASN        9      2HD2
 14    A       GLN       17      1HE2
 14    A       GLN       17      2HE2
 14    A       ASN       39      1HD2
 14    A       ASN       39      2HD2
 14    A       ASN       43      1HD2
 14    A       ASN       43      2HD2
 14    A       GLN       47      1HE2
 14    A       GLN       47      2HE2
 14    A       ASN       59      1HD2
 14    A       ASN       59      2HD2
 14    A       GLN       66      1HE2
 14    A       GLN       66      2HE2
 14    B       ASN        9      1HD2
 14    B       ASN        9      2HD2
 14    B       GLN       17      1HE2
 14    B       GLN       17      2HE2
 14    B       ASN       39      1HD2
 14    B       ASN       39      2HD2
 14    B       ASN       43      1HD2
 14    B       ASN       43      2HD2
 14    B       GLN       47      1HE2
 14    B       GLN       47      2HE2
 14    B       ASN       59      1HD2
 14    B       ASN       59      2HD2
 14    B       GLN       66      1HE2
 14    B       GLN       66      2HE2
 15    A       ASN        9      1HD2
 15    A       ASN        9      2HD2
 15    A       GLN       17      1HE2
 15    A       GLN       17      2HE2
 15    A       ASN       39      1HD2
 15    A       ASN       39      2HD2
 15    A       ASN       43      1HD2
 15    A       ASN       43      2HD2
 15    A       GLN       47      1HE2
 15    A       GLN       47      2HE2
 15    A       ASN       59      1HD2
 15    A       ASN       59      2HD2
 15    A       GLN       66      1HE2
 15    A       GLN       66      2HE2
 15    B       ASN        9      1HD2
 15    B       ASN        9      2HD2
 15    B       GLN       17      1HE2
 15    B       GLN       17      2HE2
 15    B       ASN       39      1HD2
 15    B       ASN       39      2HD2
 15    B       ASN       43      1HD2
 15    B       ASN       43      2HD2
 15    B       GLN       47      1HE2
 15    B       GLN       47      2HE2
 15    B       ASN       59      1HD2
 15    B       ASN       59      2HD2
 15    B       GLN       66      1HE2
 15    B       GLN       66      2HE2
 16    A       ASN        9      1HD2
 16    A       ASN        9      2HD2
 16    A       GLN       17      1HE2
 16    A       GLN       17      2HE2
 16    A       ASN       39      1HD2
 16    A       ASN       39      2HD2
 16    A       ASN       43      1HD2
 16    A       ASN       43      2HD2
 16    A       GLN       47      1HE2
 16    A       GLN       47      2HE2
 16    A       ASN       59      1HD2
 16    A       ASN       59      2HD2
 16    A       GLN       66      1HE2
 16    A       GLN       66      2HE2
 16    B       ASN        9      1HD2
 16    B       ASN        9      2HD2
 16    B       GLN       17      1HE2
 16    B       GLN       17      2HE2
 16    B       ASN       39      1HD2
 16    B       ASN       39      2HD2
 16    B       ASN       43      1HD2
 16    B       ASN       43      2HD2
 16    B       GLN       47      1HE2
 16    B       GLN       47      2HE2
 16    B       ASN       59      1HD2
 16    B       ASN       59      2HD2
 16    B       GLN       66      1HE2
 16    B       GLN       66      2HE2
 17    A       ASN        9      1HD2
 17    A       ASN        9      2HD2
 17    A       GLN       17      1HE2
 17    A       GLN       17      2HE2
 17    A       ASN       39      1HD2
 17    A       ASN       39      2HD2
 17    A       ASN       43      1HD2
 17    A       ASN       43      2HD2
 17    A       GLN       47      1HE2
 17    A       GLN       47      2HE2
 17    A       ASN       59      1HD2
 17    A       ASN       59      2HD2
 17    A       GLN       66      1HE2
 17    A       GLN       66      2HE2
 17    B       ASN        9      1HD2
 17    B       ASN        9      2HD2
 17    B       GLN       17      1HE2
 17    B       GLN       17      2HE2
 17    B       ASN       39      1HD2
 17    B       ASN       39      2HD2
 17    B       ASN       43      1HD2
 17    B       ASN       43      2HD2
 17    B       GLN       47      1HE2
 17    B       GLN       47      2HE2
 17    B       ASN       59      1HD2
 17    B       ASN       59      2HD2
 17    B       GLN       66      1HE2
 17    B       GLN       66      2HE2
 18    A       ASN        9      1HD2
 18    A       ASN        9      2HD2
 18    A       GLN       17      1HE2
 18    A       GLN       17      2HE2
 18    A       ASN       39      1HD2
 18    A       ASN       39      2HD2
 18    A       ASN       43      1HD2
 18    A       ASN       43      2HD2
 18    A       GLN       47      1HE2
 18    A       GLN       47      2HE2
 18    A       ASN       59      1HD2
 18    A       ASN       59      2HD2
 18    A       GLN       66      1HE2
 18    A       GLN       66      2HE2
 18    B       ASN        9      1HD2
 18    B       ASN        9      2HD2
 18    B       GLN       17      1HE2
 18    B       GLN       17      2HE2
 18    B       ASN       39      1HD2
 18    B       ASN       39      2HD2
 18    B       ASN       43      1HD2
 18    B       ASN       43      2HD2
 18    B       GLN       47      1HE2
 18    B       GLN       47      2HE2
 18    B       ASN       59      1HD2
 18    B       ASN       59      2HD2
 18    B       GLN       66      1HE2
 18    B       GLN       66      2HE2
 19    A       ASN        9      1HD2
 19    A       ASN        9      2HD2
 19    A       GLN       17      1HE2
 19    A       GLN       17      2HE2
 19    A       ASN       39      1HD2
 19    A       ASN       39      2HD2
 19    A       ASN       43      1HD2
 19    A       ASN       43      2HD2
 19    A       GLN       47      1HE2
 19    A       GLN       47      2HE2
 19    A       ASN       59      1HD2
 19    A       ASN       59      2HD2
 19    A       GLN       66      1HE2
 19    A       GLN       66      2HE2
 19    B       ASN        9      1HD2
 19    B       ASN        9      2HD2
 19    B       GLN       17      1HE2
 19    B       GLN       17      2HE2
 19    B       ASN       39      1HD2
 19    B       ASN       39      2HD2
 19    B       ASN       43      1HD2
 19    B       ASN       43      2HD2
 19    B       GLN       47      1HE2
 19    B       GLN       47      2HE2
 19    B       ASN       59      1HD2
 19    B       ASN       59      2HD2
 19    B       GLN       66      1HE2
 19    B       GLN       66      2HE2
 20    A       ASN        9      1HD2
 20    A       ASN        9      2HD2
 20    A       GLN       17      1HE2
 20    A       GLN       17      2HE2
 20    A       ASN       39      1HD2
 20    A       ASN       39      2HD2
 20    A       ASN       43      1HD2
 20    A       ASN       43      2HD2
 20    A       GLN       47      1HE2
 20    A       GLN       47      2HE2
 20    A       ASN       59      1HD2
 20    A       ASN       59      2HD2
 20    A       GLN       66      1HE2
 20    A       GLN       66      2HE2
 20    B       ASN        9      1HD2
 20    B       ASN        9      2HD2
 20    B       GLN       17      1HE2
 20    B       GLN       17      2HE2
 20    B       ASN       39      1HD2
 20    B       ASN       39      2HD2
 20    B       ASN       43      1HD2
 20    B       ASN       43      2HD2
 20    B       GLN       47      1HE2
 20    B       GLN       47      2HE2
 20    B       ASN       59      1HD2
 20    B       ASN       59      2HD2
 20    B       GLN       66      1HE2
 20    B       GLN       66      2HE2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     GLU(  1 A  10)         HE2 
     GLU(  1 A  13)         HE2 
     ASP(  1 A  18)         HD2 
     ASP(  1 A  21)         HD2 
     GLU(  1 A  26)         HE2 
     GLU(  1 A  27)         HE2 
     ASP(  1 A  31)         HD2 
     GLU(  1 A  50)         HE2 
     ASP(  1 A  58)         HD2 
     GLU(  1 A  70)         HE2 
     HIS(  1 A  71)         HE2 
     HIS(  1 A  72)         HD1 
     HIS(  1 A  73)         HD1 
     HIS(  1 A  74)         HE2 
     HIS(  1 A  75)         HE2 
     HIS(  1 A  76)         HD1 
     GLU(  1 B  10)         HE2 
     GLU(  1 B  13)         HE2 
     ASP(  1 B  18)         HD2 
     ASP(  1 B  21)         HD2 
     GLU(  1 B  26)         HE2 
     GLU(  1 B  27)         HE2 
     ASP(  1 B  31)         HD2 
     GLU(  1 B  50)         HE2 
     ASP(  1 B  58)         HD2 
     GLU(  1 B  70)         HE2 
     HIS(  1 B  71)         HE2 
     HIS(  1 B  72)         HD1 
     HIS(  1 B  73)         HD1 
     HIS(  1 B  74)         HE2 
     HIS(  1 B  75)         HE2 
     HIS(  1 B  76)         HD1 
     GLU(  2 A  10)         HE2 
     GLU(  2 A  13)         HE2 
     ASP(  2 A  18)         HD2 
     ASP(  2 A  21)         HD2 
     GLU(  2 A  26)         HE2 
     GLU(  2 A  27)         HE2 
     ASP(  2 A  31)         HD2 
     GLU(  2 A  50)         HE2 
     ASP(  2 A  58)         HD2 
     GLU(  2 A  70)         HE2 
     HIS(  2 A  71)         HD1 
     HIS(  2 A  72)         HE2 
     HIS(  2 A  73)         HD1 
     HIS(  2 A  74)         HE2 
     HIS(  2 A  75)         HD1 
     HIS(  2 A  76)         HD1 
     GLU(  2 B  10)         HE2 
     GLU(  2 B  13)         HE2 
     ASP(  2 B  18)         HD2 
     ASP(  2 B  21)         HD2 
     GLU(  2 B  26)         HE2 
     GLU(  2 B  27)         HE2 
     ASP(  2 B  31)         HD2 
     GLU(  2 B  50)         HE2 
     ASP(  2 B  58)         HD2 
     GLU(  2 B  70)         HE2 
     HIS(  2 B  71)         HD1 
     HIS(  2 B  72)         HE2 
     HIS(  2 B  73)         HD1 
     HIS(  2 B  74)         HE2 
     HIS(  2 B  75)         HD1 
     HIS(  2 B  76)         HD1 
     GLU(  3 A  10)         HE2 
     GLU(  3 A  13)         HE2 
     ASP(  3 A  18)         HD2 
     ASP(  3 A  21)         HD2 
     GLU(  3 A  26)         HE2 
     GLU(  3 A  27)         HE2 
     ASP(  3 A  31)         HD2 
     GLU(  3 A  50)         HE2 
     ASP(  3 A  58)         HD2 
     GLU(  3 A  70)         HE2 
     HIS(  3 A  71)         HE2 
     HIS(  3 A  72)         HD1 
     HIS(  3 A  73)         HE2 
     HIS(  3 A  74)         HE2 
     HIS(  3 A  75)         HD1 
     HIS(  3 A  76)         HD1 
     GLU(  3 B  10)         HE2 
     GLU(  3 B  13)         HE2 
     ASP(  3 B  18)         HD2 
     ASP(  3 B  21)         HD2 
     GLU(  3 B  26)         HE2 
     GLU(  3 B  27)         HE2 
     ASP(  3 B  31)         HD2 
     GLU(  3 B  50)         HE2 
     ASP(  3 B  58)         HD2 
     GLU(  3 B  70)         HE2 
     HIS(  3 B  71)         HE2 
     HIS(  3 B  72)         HD1 
     HIS(  3 B  73)         HE2 
     HIS(  3 B  74)         HE2 
     HIS(  3 B  75)         HD1 
     HIS(  3 B  76)         HD1 
     GLU(  4 A  10)         HE2 
     GLU(  4 A  13)         HE2 
     ASP(  4 A  18)         HD2 
     ASP(  4 A  21)         HD2 
     GLU(  4 A  26)         HE2 
     GLU(  4 A  27)         HE2 
     ASP(  4 A  31)         HD2 
     GLU(  4 A  50)         HE2 
     ASP(  4 A  58)         HD2 
     GLU(  4 A  70)         HE2 
     HIS(  4 A  71)         HD1 
     HIS(  4 A  72)         HD1 
     HIS(  4 A  73)         HE2 
     HIS(  4 A  74)         HE2 
     HIS(  4 A  75)         HE2 
     HIS(  4 A  76)         HD1 
     GLU(  4 B  10)         HE2 
     GLU(  4 B  13)         HE2 
     ASP(  4 B  18)         HD2 
     ASP(  4 B  21)         HD2 
     GLU(  4 B  26)         HE2 
     GLU(  4 B  27)         HE2 
     ASP(  4 B  31)         HD2 
     GLU(  4 B  50)         HE2 
     ASP(  4 B  58)         HD2 
     GLU(  4 B  70)         HE2 
     HIS(  4 B  71)         HD1 
     HIS(  4 B  72)         HD1 
     HIS(  4 B  73)         HE2 
     HIS(  4 B  74)         HE2 
     HIS(  4 B  75)         HE2 
     HIS(  4 B  76)         HD1 
     GLU(  5 A  10)         HE2 
     GLU(  5 A  13)         HE2 
     ASP(  5 A  18)         HD2 
     ASP(  5 A  21)         HD2 
     GLU(  5 A  26)         HE2 
     GLU(  5 A  27)         HE2 
     ASP(  5 A  31)         HD2 
     GLU(  5 A  50)         HE2 
     ASP(  5 A  58)         HD2 
     GLU(  5 A  70)         HE2 
     HIS(  5 A  71)         HE2 
     HIS(  5 A  72)         HE2 
     HIS(  5 A  73)         HD1 
     HIS(  5 A  74)         HE2 
     HIS(  5 A  75)         HD1 
     HIS(  5 A  76)         HD1 
     GLU(  5 B  10)         HE2 
     GLU(  5 B  13)         HE2 
     ASP(  5 B  18)         HD2 
     ASP(  5 B  21)         HD2 
     GLU(  5 B  26)         HE2 
     GLU(  5 B  27)         HE2 
     ASP(  5 B  31)         HD2 
     GLU(  5 B  50)         HE2 
     ASP(  5 B  58)         HD2 
     GLU(  5 B  70)         HE2 
     HIS(  5 B  71)         HE2 
     HIS(  5 B  72)         HE2 
     HIS(  5 B  73)         HD1 
     HIS(  5 B  74)         HE2 
     HIS(  5 B  75)         HD1 
     HIS(  5 B  76)         HD1 
     GLU(  6 A  10)         HE2 
     GLU(  6 A  13)         HE2 
     ASP(  6 A  18)         HD2 
     ASP(  6 A  21)         HD2 
     GLU(  6 A  26)         HE2 
     GLU(  6 A  27)         HE2 
     ASP(  6 A  31)         HD2 
     GLU(  6 A  50)         HE2 
     ASP(  6 A  58)         HD2 
     GLU(  6 A  70)         HE2 
     HIS(  6 A  71)         HD1 
     HIS(  6 A  72)         HD1 
     HIS(  6 A  73)         HE2 
     HIS(  6 A  74)         HD1 
     HIS(  6 A  75)         HD1 
     HIS(  6 A  76)         HE2 
     GLU(  6 B  10)         HE2 
     GLU(  6 B  13)         HE2 
     ASP(  6 B  18)         HD2 
     ASP(  6 B  21)         HD2 
     GLU(  6 B  26)         HE2 
     GLU(  6 B  27)         HE2 
     ASP(  6 B  31)         HD2 
     GLU(  6 B  50)         HE2 
     ASP(  6 B  58)         HD2 
     GLU(  6 B  70)         HE2 
     HIS(  6 B  71)         HD1 
     HIS(  6 B  72)         HD1 
     HIS(  6 B  73)         HE2 
     HIS(  6 B  74)         HD1 
     HIS(  6 B  75)         HD1 
     HIS(  6 B  76)         HE2 
     GLU(  7 A  10)         HE2 
     GLU(  7 A  13)         HE2 
     ASP(  7 A  18)         HD2 
     ASP(  7 A  21)         HD2 
     GLU(  7 A  26)         HE2 
     GLU(  7 A  27)         HE2 
     ASP(  7 A  31)         HD2 
     GLU(  7 A  50)         HE2 
     ASP(  7 A  58)         HD2 
     GLU(  7 A  70)         HE2 
     HIS(  7 A  71)         HD1 
     HIS(  7 A  72)         HD1 
     HIS(  7 A  73)         HE2 
     HIS(  7 A  74)         HE2 
     HIS(  7 A  75)         HD1 
     HIS(  7 A  76)         HE2 
     GLU(  7 B  10)         HE2 
     GLU(  7 B  13)         HE2 
     ASP(  7 B  18)         HD2 
     ASP(  7 B  21)         HD2 
     GLU(  7 B  26)         HE2 
     GLU(  7 B  27)         HE2 
     ASP(  7 B  31)         HD2 
     GLU(  7 B  50)         HE2 
     ASP(  7 B  58)         HD2 
     GLU(  7 B  70)         HE2 
     HIS(  7 B  71)         HD1 
     HIS(  7 B  72)         HD1 
     HIS(  7 B  73)         HE2 
     HIS(  7 B  74)         HE2 
     HIS(  7 B  75)         HD1 
     HIS(  7 B  76)         HE2 
     GLU(  8 A  10)         HE2 
     GLU(  8 A  13)         HE2 
     ASP(  8 A  18)         HD2 
     ASP(  8 A  21)         HD2 
     GLU(  8 A  26)         HE2 
     GLU(  8 A  27)         HE2 
     ASP(  8 A  31)         HD2 
     GLU(  8 A  50)         HE2 
     ASP(  8 A  58)         HD2 
     GLU(  8 A  70)         HE2 
     HIS(  8 A  71)         HD1 
     HIS(  8 A  72)         HE2 
     HIS(  8 A  73)         HD1 
     HIS(  8 A  74)         HD1 
     HIS(  8 A  75)         HE2 
     HIS(  8 A  76)         HD1 
     GLU(  8 B  10)         HE2 
     GLU(  8 B  13)         HE2 
     ASP(  8 B  18)         HD2 
     ASP(  8 B  21)         HD2 
     GLU(  8 B  26)         HE2 
     GLU(  8 B  27)         HE2 
     ASP(  8 B  31)         HD2 
     GLU(  8 B  50)         HE2 
     ASP(  8 B  58)         HD2 
     GLU(  8 B  70)         HE2 
     HIS(  8 B  71)         HD1 
     HIS(  8 B  72)         HE2 
     HIS(  8 B  73)         HD1 
     HIS(  8 B  74)         HD1 
     HIS(  8 B  75)         HE2 
     HIS(  8 B  76)         HD1 
     GLU(  9 A  10)         HE2 
     GLU(  9 A  13)         HE2 
     ASP(  9 A  18)         HD2 
     ASP(  9 A  21)         HD2 
     GLU(  9 A  26)         HE2 
     GLU(  9 A  27)         HE2 
     ASP(  9 A  31)         HD2 
     GLU(  9 A  50)         HE2 
     ASP(  9 A  58)         HD2 
     GLU(  9 A  70)         HE2 
     HIS(  9 A  71)         HD1 
     HIS(  9 A  72)         HE2 
     HIS(  9 A  73)         HD1 
     HIS(  9 A  74)         HD1 
     HIS(  9 A  75)         HD1 
     HIS(  9 A  76)         HD1 
     GLU(  9 B  10)         HE2 
     GLU(  9 B  13)         HE2 
     ASP(  9 B  18)         HD2 
     ASP(  9 B  21)         HD2 
     GLU(  9 B  26)         HE2 
     GLU(  9 B  27)         HE2 
     ASP(  9 B  31)         HD2 
     GLU(  9 B  50)         HE2 
     ASP(  9 B  58)         HD2 
     GLU(  9 B  70)         HE2 
     HIS(  9 B  71)         HD1 
     HIS(  9 B  72)         HE2 
     HIS(  9 B  73)         HD1 
     HIS(  9 B  74)         HD1 
     HIS(  9 B  75)         HD1 
     HIS(  9 B  76)         HD1 
     GLU( 10 A  10)         HE2 
     GLU( 10 A  13)         HE2 
     ASP( 10 A  18)         HD2 
     ASP( 10 A  21)         HD2 
     GLU( 10 A  26)         HE2 
     GLU( 10 A  27)         HE2 
     ASP( 10 A  31)         HD2 
     GLU( 10 A  50)         HE2 
     ASP( 10 A  58)         HD2 
     GLU( 10 A  70)         HE2 
     HIS( 10 A  71)         HD1 
     HIS( 10 A  72)         HD1 
     HIS( 10 A  73)         HD1 
     HIS( 10 A  74)         HE2 
     HIS( 10 A  75)         HD1 
     HIS( 10 A  76)         HD1 
     GLU( 10 B  10)         HE2 
     GLU( 10 B  13)         HE2 
     ASP( 10 B  18)         HD2 
     ASP( 10 B  21)         HD2 
     GLU( 10 B  26)         HE2 
     GLU( 10 B  27)         HE2 
     ASP( 10 B  31)         HD2 
     GLU( 10 B  50)         HE2 
     ASP( 10 B  58)         HD2 
     GLU( 10 B  70)         HE2 
     HIS( 10 B  71)         HD1 
     HIS( 10 B  72)         HD1 
     HIS( 10 B  73)         HD1 
     HIS( 10 B  74)         HE2 
     HIS( 10 B  75)         HD1 
     HIS( 10 B  76)         HD1 
     GLU( 11 A  10)         HE2 
     GLU( 11 A  13)         HE2 
     ASP( 11 A  18)         HD2 
     ASP( 11 A  21)         HD2 
     GLU( 11 A  26)         HE2 
     GLU( 11 A  27)         HE2 
     ASP( 11 A  31)         HD2 
     GLU( 11 A  50)         HE2 
     ASP( 11 A  58)         HD2 
     GLU( 11 A  70)         HE2 
     HIS( 11 A  71)         HD1 
     HIS( 11 A  72)         HE2 
     HIS( 11 A  73)         HE2 
     HIS( 11 A  74)         HE2 
     HIS( 11 A  75)         HD1 
     HIS( 11 A  76)         HD1 
     GLU( 11 B  10)         HE2 
     GLU( 11 B  13)         HE2 
     ASP( 11 B  18)         HD2 
     ASP( 11 B  21)         HD2 
     GLU( 11 B  26)         HE2 
     GLU( 11 B  27)         HE2 
     ASP( 11 B  31)         HD2 
     GLU( 11 B  50)         HE2 
     ASP( 11 B  58)         HD2 
     GLU( 11 B  70)         HE2 
     HIS( 11 B  71)         HD1 
     HIS( 11 B  72)         HE2 
     HIS( 11 B  73)         HE2 
     HIS( 11 B  74)         HE2 
     HIS( 11 B  75)         HD1 
     HIS( 11 B  76)         HD1 
     GLU( 12 A  10)         HE2 
     GLU( 12 A  13)         HE2 
     ASP( 12 A  18)         HD2 
     ASP( 12 A  21)         HD2 
     GLU( 12 A  26)         HE2 
     GLU( 12 A  27)         HE2 
     ASP( 12 A  31)         HD2 
     GLU( 12 A  50)         HE2 
     ASP( 12 A  58)         HD2 
     GLU( 12 A  70)         HE2 
     HIS( 12 A  71)         HE2 
     HIS( 12 A  72)         HD1 
     HIS( 12 A  73)         HD1 
     HIS( 12 A  74)         HE2 
     HIS( 12 A  75)         HE2 
     HIS( 12 A  76)         HD1 
     GLU( 12 B  10)         HE2 
     GLU( 12 B  13)         HE2 
     ASP( 12 B  18)         HD2 
     ASP( 12 B  21)         HD2 
     GLU( 12 B  26)         HE2 
     GLU( 12 B  27)         HE2 
     ASP( 12 B  31)         HD2 
     GLU( 12 B  50)         HE2 
     ASP( 12 B  58)         HD2 
     GLU( 12 B  70)         HE2 
     HIS( 12 B  71)         HE2 
     HIS( 12 B  72)         HD1 
     HIS( 12 B  73)         HD1 
     HIS( 12 B  74)         HE2 
     HIS( 12 B  75)         HE2 
     HIS( 12 B  76)         HD1 
     GLU( 13 A  10)         HE2 
     GLU( 13 A  13)         HE2 
     ASP( 13 A  18)         HD2 
     ASP( 13 A  21)         HD2 
     GLU( 13 A  26)         HE2 
     GLU( 13 A  27)         HE2 
     ASP( 13 A  31)         HD2 
     GLU( 13 A  50)         HE2 
     ASP( 13 A  58)         HD2 
     GLU( 13 A  70)         HE2 
     HIS( 13 A  71)         HE2 
     HIS( 13 A  72)         HD1 
     HIS( 13 A  73)         HD1 
     HIS( 13 A  74)         HD1 
     HIS( 13 A  75)         HE2 
     HIS( 13 A  76)         HE2 
     GLU( 13 B  10)         HE2 
     GLU( 13 B  13)         HE2 
     ASP( 13 B  18)         HD2 
     ASP( 13 B  21)         HD2 
     GLU( 13 B  26)         HE2 
     GLU( 13 B  27)         HE2 
     ASP( 13 B  31)         HD2 
     GLU( 13 B  50)         HE2 
     ASP( 13 B  58)         HD2 
     GLU( 13 B  70)         HE2 
     HIS( 13 B  71)         HE2 
     HIS( 13 B  72)         HD1 
     HIS( 13 B  73)         HD1 
     HIS( 13 B  74)         HD1 
     HIS( 13 B  75)         HE2 
     HIS( 13 B  76)         HE2 
     GLU( 14 A  10)         HE2 
     GLU( 14 A  13)         HE2 
     ASP( 14 A  18)         HD2 
     ASP( 14 A  21)         HD2 
     GLU( 14 A  26)         HE2 
     GLU( 14 A  27)         HE2 
     ASP( 14 A  31)         HD2 
     GLU( 14 A  50)         HE2 
     ASP( 14 A  58)         HD2 
     GLU( 14 A  70)         HE2 
     HIS( 14 A  71)         HE2 
     HIS( 14 A  72)         HD1 
     HIS( 14 A  73)         HD1 
     HIS( 14 A  74)         HE2 
     HIS( 14 A  75)         HE2 
     HIS( 14 A  76)         HD1 
     GLU( 14 B  10)         HE2 
     GLU( 14 B  13)         HE2 
     ASP( 14 B  18)         HD2 
     ASP( 14 B  21)         HD2 
     GLU( 14 B  26)         HE2 
     GLU( 14 B  27)         HE2 
     ASP( 14 B  31)         HD2 
     GLU( 14 B  50)         HE2 
     ASP( 14 B  58)         HD2 
     GLU( 14 B  70)         HE2 
     HIS( 14 B  71)         HE2 
     HIS( 14 B  72)         HD1 
     HIS( 14 B  73)         HD1 
     HIS( 14 B  74)         HE2 
     HIS( 14 B  75)         HE2 
     HIS( 14 B  76)         HD1 
     GLU( 15 A  10)         HE2 
     GLU( 15 A  13)         HE2 
     ASP( 15 A  18)         HD2 
     ASP( 15 A  21)         HD2 
     GLU( 15 A  26)         HE2 
     GLU( 15 A  27)         HE2 
     ASP( 15 A  31)         HD2 
     GLU( 15 A  50)         HE2 
     ASP( 15 A  58)         HD2 
     GLU( 15 A  70)         HE2 
     HIS( 15 A  71)         HD1 
     HIS( 15 A  72)         HD1 
     HIS( 15 A  73)         HD1 
     HIS( 15 A  74)         HE2 
     HIS( 15 A  75)         HE2 
     HIS( 15 A  76)         HD1 
     GLU( 15 B  10)         HE2 
     GLU( 15 B  13)         HE2 
     ASP( 15 B  18)         HD2 
     ASP( 15 B  21)         HD2 
     GLU( 15 B  26)         HE2 
     GLU( 15 B  27)         HE2 
     ASP( 15 B  31)         HD2 
     GLU( 15 B  50)         HE2 
     ASP( 15 B  58)         HD2 
     GLU( 15 B  70)         HE2 
     HIS( 15 B  71)         HD1 
     HIS( 15 B  72)         HD1 
     HIS( 15 B  73)         HD1 
     HIS( 15 B  74)         HE2 
     HIS( 15 B  75)         HE2 
     HIS( 15 B  76)         HD1 
     GLU( 16 A  10)         HE2 
     GLU( 16 A  13)         HE2 
     ASP( 16 A  18)         HD2 
     ASP( 16 A  21)         HD2 
     GLU( 16 A  26)         HE2 
     GLU( 16 A  27)         HE2 
     ASP( 16 A  31)         HD2 
     GLU( 16 A  50)         HE2 
     ASP( 16 A  58)         HD2 
     GLU( 16 A  70)         HE2 
     HIS( 16 A  71)         HD1 
     HIS( 16 A  72)         HE2 
     HIS( 16 A  73)         HE2 
     HIS( 16 A  74)         HD1 
     HIS( 16 A  75)         HE2 
     HIS( 16 A  76)         HE2 
     GLU( 16 B  10)         HE2 
     GLU( 16 B  13)         HE2 
     ASP( 16 B  18)         HD2 
     ASP( 16 B  21)         HD2 
     GLU( 16 B  26)         HE2 
     GLU( 16 B  27)         HE2 
     ASP( 16 B  31)         HD2 
     GLU( 16 B  50)         HE2 
     ASP( 16 B  58)         HD2 
     GLU( 16 B  70)         HE2 
     HIS( 16 B  71)         HD1 
     HIS( 16 B  72)         HE2 
     HIS( 16 B  73)         HE2 
     HIS( 16 B  74)         HD1 
     HIS( 16 B  75)         HE2 
     HIS( 16 B  76)         HE2 
     GLU( 17 A  10)         HE2 
     GLU( 17 A  13)         HE2 
     ASP( 17 A  18)         HD2 
     ASP( 17 A  21)         HD2 
     GLU( 17 A  26)         HE2 
     GLU( 17 A  27)         HE2 
     ASP( 17 A  31)         HD2 
     GLU( 17 A  50)         HE2 
     ASP( 17 A  58)         HD2 
     GLU( 17 A  70)         HE2 
     HIS( 17 A  71)         HE2 
     HIS( 17 A  72)         HD1 
     HIS( 17 A  73)         HD1 
     HIS( 17 A  74)         HD1 
     HIS( 17 A  75)         HE2 
     HIS( 17 A  76)         HE2 
     GLU( 17 B  10)         HE2 
     GLU( 17 B  13)         HE2 
     ASP( 17 B  18)         HD2 
     ASP( 17 B  21)         HD2 
     GLU( 17 B  26)         HE2 
     GLU( 17 B  27)         HE2 
     ASP( 17 B  31)         HD2 
     GLU( 17 B  50)         HE2 
     ASP( 17 B  58)         HD2 
     GLU( 17 B  70)         HE2 
     HIS( 17 B  71)         HE2 
     HIS( 17 B  72)         HD1 
     HIS( 17 B  73)         HD1 
     HIS( 17 B  74)         HD1 
     HIS( 17 B  75)         HE2 
     HIS( 17 B  76)         HE2 
     GLU( 18 A  10)         HE2 
     GLU( 18 A  13)         HE2 
     ASP( 18 A  18)         HD2 
     ASP( 18 A  21)         HD2 
     GLU( 18 A  26)         HE2 
     GLU( 18 A  27)         HE2 
     ASP( 18 A  31)         HD2 
     GLU( 18 A  50)         HE2 
     ASP( 18 A  58)         HD2 
     GLU( 18 A  70)         HE2 
     HIS( 18 A  71)         HE2 
     HIS( 18 A  72)         HE2 
     HIS( 18 A  73)         HD1 
     HIS( 18 A  74)         HD1 
     HIS( 18 A  75)         HD1 
     HIS( 18 A  76)         HD1 
     GLU( 18 B  10)         HE2 
     GLU( 18 B  13)         HE2 
     ASP( 18 B  18)         HD2 
     ASP( 18 B  21)         HD2 
     GLU( 18 B  26)         HE2 
     GLU( 18 B  27)         HE2 
     ASP( 18 B  31)         HD2 
     GLU( 18 B  50)         HE2 
     ASP( 18 B  58)         HD2 
     GLU( 18 B  70)         HE2 
     HIS( 18 B  71)         HE2 
     HIS( 18 B  72)         HE2 
     HIS( 18 B  73)         HD1 
     HIS( 18 B  74)         HD1 
     HIS( 18 B  75)         HD1 
     HIS( 18 B  76)         HD1 
     GLU( 19 A  10)         HE2 
     GLU( 19 A  13)         HE2 
     ASP( 19 A  18)         HD2 
     ASP( 19 A  21)         HD2 
     GLU( 19 A  26)         HE2 
     GLU( 19 A  27)         HE2 
     ASP( 19 A  31)         HD2 
     GLU( 19 A  50)         HE2 
     ASP( 19 A  58)         HD2 
     GLU( 19 A  70)         HE2 
     HIS( 19 A  71)         HE2 
     HIS( 19 A  72)         HD1 
     HIS( 19 A  73)         HD1 
     HIS( 19 A  74)         HD1 
     HIS( 19 A  75)         HD1 
     HIS( 19 A  76)         HD1 
     GLU( 19 B  10)         HE2 
     GLU( 19 B  13)         HE2 
     ASP( 19 B  18)         HD2 
     ASP( 19 B  21)         HD2 
     GLU( 19 B  26)         HE2 
     GLU( 19 B  27)         HE2 
     ASP( 19 B  31)         HD2 
     GLU( 19 B  50)         HE2 
     ASP( 19 B  58)         HD2 
     GLU( 19 B  70)         HE2 
     HIS( 19 B  71)         HE2 
     HIS( 19 B  72)         HD1 
     HIS( 19 B  73)         HD1 
     HIS( 19 B  74)         HD1 
     HIS( 19 B  75)         HD1 
     HIS( 19 B  76)         HD1 
     GLU( 20 A  10)         HE2 
     GLU( 20 A  13)         HE2 
     ASP( 20 A  18)         HD2 
     ASP( 20 A  21)         HD2 
     GLU( 20 A  26)         HE2 
     GLU( 20 A  27)         HE2 
     ASP( 20 A  31)         HD2 
     GLU( 20 A  50)         HE2 
     ASP( 20 A  58)         HD2 
     GLU( 20 A  70)         HE2 
     HIS( 20 A  71)         HD1 
     HIS( 20 A  72)         HD1 
     HIS( 20 A  73)         HE2 
     HIS( 20 A  74)         HD1 
     HIS( 20 A  75)         HD1 
     HIS( 20 A  76)         HD1 
     GLU( 20 B  10)         HE2 
     GLU( 20 B  13)         HE2 
     ASP( 20 B  18)         HD2 
     ASP( 20 B  21)         HD2 
     GLU( 20 B  26)         HE2 
     GLU( 20 B  27)         HE2 
     ASP( 20 B  31)         HD2 
     GLU( 20 B  50)         HE2 
     ASP( 20 B  58)         HD2 
     GLU( 20 B  70)         HE2 
     HIS( 20 B  71)         HD1 
     HIS( 20 B  72)         HD1 
     HIS( 20 B  73)         HE2 
     HIS( 20 B  74)         HD1 
     HIS( 20 B  75)         HD1 
     HIS( 20 B  76)         HD1 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A  76)          O2 
     HIS(  1 B  76)          O2 
     HIS(  2 A  76)          O2 
     HIS(  2 B  76)          O2 
     HIS(  3 A  76)          O2 
     HIS(  3 B  76)          O2 
     HIS(  4 A  76)          O2 
     HIS(  4 B  76)          O2 
     HIS(  5 A  76)          O2 
     HIS(  5 B  76)          O2 
     HIS(  6 A  76)          O2 
     HIS(  6 B  76)          O2 
     HIS(  7 A  76)          O2 
     HIS(  7 B  76)          O2 
     HIS(  8 A  76)          O2 
     HIS(  8 B  76)          O2 
     HIS(  9 A  76)          O2 
     HIS(  9 B  76)          O2 
     HIS( 10 A  76)          O2 
     HIS( 10 B  76)          O2 
     HIS( 11 A  76)          O2 
     HIS( 11 B  76)          O2 
     HIS( 12 A  76)          O2 
     HIS( 12 B  76)          O2 
     HIS( 13 A  76)          O2 
     HIS( 13 B  76)          O2 
     HIS( 14 A  76)          O2 
     HIS( 14 B  76)          O2 
     HIS( 15 A  76)          O2 
     HIS( 15 B  76)          O2 
     HIS( 16 A  76)          O2 
     HIS( 16 B  76)          O2 
     HIS( 17 A  76)          O2 
     HIS( 17 B  76)          O2 
     HIS( 18 A  76)          O2 
     HIS( 18 B  76)          O2 
     HIS( 19 A  76)          O2 
     HIS( 19 B  76)          O2 
     HIS( 20 A  76)          O2 
     HIS( 20 B  76)          O2 


CSR4_R3Cons_em_bcr3.pdb: Missing KEYWDS records

CSR4_R3Cons_em_bcr3.pdb: Missing TITLE record