# -------------- SUMMARY OF RESTRAINTS --------------- # TOTAL NUMBER OF NOE RESTRAINTS : 1769 # INTRA-RESIDUE RESTRAINTS (I=J) : 500 # SEQUENTIAL RESTRAINTS (I-J)=1 : 412 # BACKBONE-BACKBONE : 148 # BACKBONE-SIDE CHAIN : 2 # SIDE CHAIN-SIDE CHAIN : 262 # MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 87 # BACKBONE-BACKBONE : 10 # BACKBONE-SIDE CHAIN : 19 # SIDE CHAIN-SIDE CHAIN : 58 # LONG RANGE RESTRAINTS (I-J)>=5 : 770 # TOTAL HYDROGEN BOND RESTRAINTS : 0 # LONG RANGE H-BOND RESTR. (I-J)>=5 : 0 # DISULFIDE RESTRAINTS : 0 # INTRA-CHAIN RESTRAINTS : 1644 # INTER-CHAIN RESTRAINTS : 125 # AMBIGUOUS RESTRAINTS : 0 # ----------------------------------------------------- # ----------------------------------------------------- # ----------------------------------------------------- # RES # INTRA INTER seq med lng InterChain MET 1 2 1.5 1.5 0.0 0.0 0.0 ASP 2 2 3.0 3.0 0.0 0.0 0.0 ASN 3 3 10.5 3.5 0.0 7.0 3.5 ARG 4 13 14.0 4.0 0.0 10.0 0.5 GLN 5 1 20.0 4.0 2.5 13.5 10.5 PHE 6 2 14.0 3.5 4.5 6.0 4.5 LEU 7 5 11.5 3.5 1.0 7.0 1.5 SER 8 3 8.5 4.0 0.0 4.5 2.0 LEU 9 8 19.5 5.5 6.0 8.0 6.0 THR 10 1 15.0 4.5 3.5 7.0 6.0 GLY 11 0 3.0 1.5 0.0 1.5 0.5 VAL 12 3 10.5 2.5 1.0 7.0 0.0 SER 13 2 9.0 4.0 0.0 5.0 0.0 LYS 14 8 8.5 3.0 0.0 5.5 0.0 VAL 15 3 6.5 2.5 0.0 4.0 0.0 GLN 16 8 17.0 3.5 0.0 13.5 0.0 SER 17 0 12.5 4.0 0.0 8.5 0.0 PHE 18 0 8.0 2.0 0.0 6.0 0.0 ASP 19 0 0.0 0.0 0.0 0.0 0.0 PRO 20 0 5.0 1.0 0.0 4.0 0.0 LYS 21 13 5.0 4.0 0.0 1.0 0.0 GLU 22 3 11.0 6.0 0.0 5.0 0.0 ILE 23 8 21.0 5.5 0.0 15.5 0.0 LEU 24 8 22.0 4.5 0.0 17.5 0.0 LEU 25 9 17.0 5.0 0.0 12.0 0.0 GLU 26 4 18.0 5.0 0.0 13.0 0.0 THR 27 3 18.5 2.5 2.0 14.0 1.5 ILE 28 9 10.5 2.0 0.0 8.5 8.0 GLN 29 4 3.0 3.0 0.0 0.0 0.0 GLY 30 0 3.5 3.0 0.5 0.0 0.0 VAL 31 5 16.5 4.0 1.5 11.0 0.0 LEU 32 7 16.5 5.5 0.0 11.0 0.5 SER 33 0 12.5 4.5 0.0 8.0 0.0 ILE 34 9 19.0 3.5 0.0 15.5 0.0 LYS 35 12 16.5 5.0 1.0 10.5 0.0 GLY 36 0 10.5 4.0 1.5 5.0 0.0 GLU 37 4 10.0 3.0 0.0 7.0 0.0 LYS 38 8 9.0 3.0 0.0 6.0 0.0 LEU 39 8 20.5 3.0 2.5 15.0 0.0 GLY 40 0 3.0 2.0 0.0 1.0 0.0 ILE 41 0 0.0 0.0 0.0 0.0 0.0 LYS 42 0 0.0 0.0 0.0 0.0 0.0 HIS 43 0 0.0 0.0 0.0 0.0 0.0 LEU 44 0 0.0 0.0 0.0 0.0 0.0 ASP 45 0 0.0 0.0 0.0 0.0 0.0 LEU 46 6 3.5 1.0 0.0 2.5 0.0 LYS 47 8 3.0 3.0 0.0 0.0 0.0 ALA 48 1 3.5 3.5 0.0 0.0 0.0 GLY 49 0 2.0 1.5 0.0 0.5 0.0 GLN 50 7 7.0 3.0 0.0 4.0 0.0 VAL 51 5 9.0 4.5 0.0 4.5 0.0 GLU 52 4 7.0 3.5 0.0 3.5 0.0 VAL 53 2 5.5 3.5 0.0 2.0 0.0 GLU 54 1 8.5 3.0 0.0 5.5 0.0 GLY 55 0 10.0 2.0 0.0 8.0 0.0 LEU 56 8 25.5 3.0 0.0 22.5 0.0 ILE 57 8 17.0 4.5 0.0 12.5 1.0 ASP 58 0 9.5 4.5 0.0 5.0 0.0 ALA 59 1 11.0 4.0 2.0 5.0 2.0 LEU 60 7 16.5 3.5 6.5 6.5 7.0 VAL 61 4 7.0 3.5 0.0 3.5 0.0 TYR 62 1 14.0 1.5 7.5 5.0 7.5 PRO 63 0 2.0 2.0 0.0 0.0 0.0 LEU 64 7 4.5 4.5 0.0 0.0 0.0 GLU 65 3 4.0 4.0 0.0 0.0 0.0 HIS 66 0 1.5 1.5 0.0 0.0 0.0 HIS 67 0 0.0 0.0 0.0 0.0 0.0 HIS 68 0 0.0 0.0 0.0 0.0 0.0 HIS 69 0 0.0 0.0 0.0 0.0 0.0 HIS 70 0 1.0 1.0 0.0 0.0 0.0 HIS 71 0 1.0 1.0 0.0 0.0 0.0 MET 1 2 1.5 1.5 0.0 0.0 0.0 ASP 2 2 3.0 3.0 0.0 0.0 0.0 ASN 3 3 10.5 3.5 0.0 7.0 3.5 ARG 4 13 14.0 4.0 0.0 10.0 0.5 GLN 5 1 20.0 4.0 2.5 13.5 10.5 PHE 6 2 14.0 3.5 4.5 6.0 4.5 LEU 7 5 12.0 3.5 1.5 7.0 2.0 SER 8 1 8.5 4.0 0.0 4.5 2.0 LEU 9 8 19.0 5.5 5.5 8.0 5.5 THR 10 1 15.0 4.5 3.5 7.0 6.0 GLY 11 0 3.0 1.5 0.0 1.5 0.5 VAL 12 3 10.5 2.5 1.0 7.0 0.0 SER 13 2 9.0 4.0 0.0 5.0 0.0 LYS 14 8 8.5 3.0 0.0 5.5 0.0 VAL 15 3 6.5 2.5 0.0 4.0 0.0 GLN 16 8 17.0 3.5 0.0 13.5 0.0 SER 17 0 12.5 4.0 0.0 8.5 0.0 PHE 18 0 8.0 2.0 0.0 6.0 0.0 ASP 19 0 0.0 0.0 0.0 0.0 0.0 PRO 20 0 5.0 1.0 0.0 4.0 0.0 LYS 21 13 5.0 4.0 0.0 1.0 0.0 GLU 22 3 11.0 6.0 0.0 5.0 0.0 ILE 23 8 21.0 5.5 0.0 15.5 0.0 LEU 24 8 22.0 4.5 0.0 17.5 0.0 LEU 25 9 17.0 5.0 0.0 12.0 0.0 GLU 26 4 18.0 5.0 0.0 13.0 0.0 THR 27 3 18.5 2.5 2.0 14.0 1.5 ILE 28 9 10.5 2.0 0.0 8.5 8.0 GLN 29 4 3.0 3.0 0.0 0.0 0.0 GLY 30 0 3.5 3.0 0.5 0.0 0.0 VAL 31 5 16.5 4.0 1.5 11.0 0.0 LEU 32 7 16.5 5.5 0.0 11.0 0.5 SER 33 0 12.5 4.5 0.0 8.0 0.0 ILE 34 9 19.0 3.5 0.0 15.5 0.0 LYS 35 12 16.5 5.0 1.0 10.5 0.0 GLY 36 0 10.5 4.0 1.5 5.0 0.0 GLU 37 4 10.0 3.0 0.0 7.0 0.0 LYS 38 8 9.0 3.0 0.0 6.0 0.0 LEU 39 8 20.5 3.0 2.5 15.0 0.0 GLY 40 0 3.0 2.0 0.0 1.0 0.0 ILE 41 0 0.0 0.0 0.0 0.0 0.0 LYS 42 0 0.0 0.0 0.0 0.0 0.0 HIS 43 0 0.0 0.0 0.0 0.0 0.0 LEU 44 0 0.0 0.0 0.0 0.0 0.0 ASP 45 0 0.0 0.0 0.0 0.0 0.0 LEU 46 6 3.5 1.0 0.0 2.5 0.0 LYS 47 8 3.0 3.0 0.0 0.0 0.0 ALA 48 1 3.5 3.5 0.0 0.0 0.0 GLY 49 0 2.0 1.5 0.0 0.5 0.0 GLN 50 7 7.0 3.0 0.0 4.0 0.0 VAL 51 5 9.0 4.5 0.0 4.5 0.0 GLU 52 4 7.0 3.5 0.0 3.5 0.0 VAL 53 2 5.5 3.5 0.0 2.0 0.0 GLU 54 1 8.5 3.0 0.0 5.5 0.0 GLY 55 0 10.0 2.0 0.0 8.0 0.0 LEU 56 8 25.5 3.0 0.0 22.5 0.0 ILE 57 8 17.0 4.5 0.0 12.5 1.0 ASP 58 0 9.5 4.5 0.0 5.0 0.0 ALA 59 1 11.0 4.0 2.0 5.0 2.0 LEU 60 7 15.5 3.5 5.5 6.5 6.0 VAL 61 4 7.0 3.5 0.0 3.5 0.0 TYR 62 1 15.0 1.5 8.5 5.0 8.5 PRO 63 0 2.0 2.0 0.0 0.0 0.0 LEU 64 7 4.5 4.5 0.0 0.0 0.0 GLU 65 3 4.0 4.0 0.0 0.0 0.0 HIS 66 0 1.5 1.5 0.0 0.0 0.0 HIS 67 0 0.0 0.0 0.0 0.0 0.0 HIS 68 0 0.0 0.0 0.0 0.0 0.0 HIS 69 0 0.0 0.0 0.0 0.0 0.0 HIS 70 0 1.0 1.0 0.0 0.0 0.0 HIS 71 0 1.0 1.0 0.0 0.0 0.0 # TOTAL 500 1269.0 412.0 87.0 770.0 125.0 # TOTAL NUMBER OF RESTRAINTS (CHECKING): 1769.0