Running PDBSTAT from Linux Ayuda is on: /farm/software/PdbStat/PdbStat-5.7 (C) (C) Pdbstat -- A program to evaluate some statistics of macromolecules, (C) given the cartesian coordinates. (C) (C) (c) Copyright 1992-2012 Roberto Tejero and Gaetano T. Montelione (C) Center for Advanced Technology and Medicine (CABM) (C) Rutgers University (C) ** VERSION: 5.7-exp dom mar 10 23:17:04 UTC 2013 ** ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ===============> W E L C O M E to PDBStat <================ PDBStat has become a tool able (between other things) of: a) read and interconvert between DISMAN, DYANA, PDB, DISCOVER, IMPACT b) elaborate some info about the molecule as MW, Radius of gyration, .. c) investigate the setereochemical quality of a protein by evaluating phi, psi, chi1, impropers and chirality The sequence of acts should be: 1.- read a file (coords, constr) 2.- read a sequence file (can be free format) 3.- Follow menu (calculating, writing ...) NOTE: Be aware that if you read in a constraint file you *ALWAYS* need to read a sequence file also HAVE FUN AND ENJOY !! **** For more info type `help' or `menu' **** --> ... Reading/Loading Distances file ... 125 distance records read --> ... Reading/Loading Dihedral Library .. 1119 library records read PdbStat> [rea]d [hel]p [his]tory [men]u [phi] [qui]t... PdbStat> leyendo PDB > locate_file(): file `MBR242E_R3_em_bcr3.pdb' opened for reading > ReadCoordsPdb(): >> EXPDTA NMR, 21 STRUCTURES > ReadCoordsPdb(): >> REMARK PdbStat -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > ReadCoordsPdb(): >> REMARK PdbStat -- PDB COORDINATES FOR TEMP.PDB, 20 MODEL/S TEMP.PDB > ReadCoordsPdb(): >> REMARK PdbStat -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > ReadCoordsPdb(): >> SEQRES 1 A 216 MET ALA GLY GLN SER ASP ARG LYS ALA ALA LEU LEU ASP 1 > ReadCoordsPdb(): Counting models in file `MBR242E_R3_em_bcr3.pdb'; Model: 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 > ReadCoordsPdb(): After scanning there is(are) 20 model(s) > ReadCoordsPdb(): what model do you want [(1 to 20) or all] ?_ > ReadCoordsPdb(): Reading *all* models in file MBR242E_R3_em_bcr3.pdb > ReadCoordsPdb(): Reading a total of (20) models in file > ReadCoordsPdb(): I'm reading!, model 0 > ReadCoordsPdb(): *** SUMMARY *** > ReadCoordsPdb(): --> 66280 ATOM records read from file > ReadCoordsPdb(): --> 66280 Regular IUPAC Atoms > ReadCoordsPdb(): --> 0 Pseudo-atoms (DISMAN type) > ReadCoordsPdb(): --> 0 Lone pairs > ReadCoordsPdb(): Bye ... > ReadCoordsPdb(): ** monomer, 1 [1] chains ** PdbStat> > calc_order_parameters(): ... Evaluating Dihedrals 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 0.489 0.865 0.491 0.085 ALA M 2 0.448 0.310 GLY M 3 0.269 0.186 GLN M 4 0.220 0.255 0.554 0.456 0.878 SER M 5 0.447 0.209 0.248 ASP M 6 0.597 0.587 0.585 0.951 ARG M 7 0.994 0.989 0.783 0.997 0.726 0.938 1.000 7 7 LYS M 8 0.993 0.979 0.586 0.999 0.996 0.998 8 8 ALA M 9 0.997 0.996 9 9 ALA M 10 0.998 0.997 10 10 LEU M 11 0.996 0.996 0.796 0.752 11 11 LEU M 12 0.997 0.997 0.999 0.999 12 12 ASP M 13 0.998 0.996 0.887 0.931 13 13 GLN M 14 0.991 0.995 0.584 0.400 0.681 14 14 VAL M 15 0.996 0.995 0.841 15 15 ALA M 16 0.997 0.998 16 16 ARG M 17 0.993 0.988 0.619 0.991 0.490 0.538 1.000 17 17 VAL M 18 0.998 0.995 0.936 18 18 GLY M 19 0.998 0.998 19 19 LYS M 20 0.997 0.996 0.680 1.000 1.000 1.000 20 20 ALA M 21 0.998 0.989 21 21 LEU M 22 0.984 0.945 0.999 0.999 22 22 ALA M 23 0.958 0.701 ASN M 24 0.442 0.038 0.662 0.681 GLY M 25 0.315 0.658 ARG M 26 0.960 0.972 0.999 0.736 0.858 0.939 1.000 26 26 ARG M 27 0.973 0.983 0.621 0.981 0.383 0.595 1.000 27 27 LEU M 28 0.995 0.994 0.997 0.997 28 28 GLN M 29 0.996 0.999 0.594 0.506 0.774 29 29 ILE M 30 0.998 0.998 1.000 1.000 30 30 LEU M 31 0.998 0.997 0.999 0.999 31 31 ASP M 32 0.999 0.997 0.802 0.827 32 32 LEU M 33 0.998 0.996 0.590 0.633 33 33 LEU M 34 0.996 0.996 0.977 0.350 34 34 ALA M 35 0.995 0.996 35 35 GLN M 36 0.979 0.913 0.932 0.508 0.866 36 36 GLY M 37 0.938 0.972 37 37 GLU M 38 0.995 0.995 0.420 0.744 0.912 38 38 ARG M 39 0.992 0.987 0.920 0.956 0.931 0.972 1.000 39 39 ALA M 40 0.998 0.998 40 40 VAL M 41 0.999 0.996 0.824 41 41 GLU M 42 0.999 0.999 0.670 0.999 0.883 42 42 ALA M 43 0.999 1.000 43 43 ILE M 44 0.999 0.999 1.000 1.000 44 44 ALA M 45 0.999 0.997 45 45 THR M 46 0.999 0.996 0.923 46 46 ALA M 47 0.996 0.996 47 47 THR M 48 0.999 0.995 0.861 48 48 GLY M 49 0.996 0.988 49 49 MET M 50 0.976 0.998 0.571 0.811 0.411 50 50 ASN M 51 0.996 0.989 0.694 0.883 51 51 LEU M 52 0.998 0.997 0.784 0.875 52 52 THR M 53 0.995 0.998 0.924 53 53 THR M 54 0.999 0.999 1.000 54 54 ALA M 55 1.000 0.999 55 55 SER M 56 0.998 0.993 0.645 56 56 ALA M 57 0.999 0.999 57 57 ASN M 58 0.997 0.999 0.999 0.946 58 58 LEU M 59 0.999 0.999 0.999 1.000 59 59 GLN M 60 0.998 0.998 0.643 0.258 0.742 60 60 ALA M 61 1.000 0.999 61 61 LEU M 62 0.997 0.985 0.999 1.000 62 62 LYS M 63 0.995 0.998 0.877 0.931 0.858 0.929 63 63 SER M 64 0.995 0.979 0.782 64 64 GLY M 65 0.989 0.981 65 65 GLY M 66 0.781 0.975 LEU M 67 0.804 0.932 0.997 0.999 67 VAL M 68 0.994 0.997 1.000 68 68 GLU M 69 0.978 0.988 0.426 0.996 0.839 69 69 ALA M 70 0.970 0.981 70 70 ARG M 71 0.977 0.975 0.613 0.574 0.931 0.636 1.000 71 71 ARG M 72 0.975 0.957 0.548 0.999 0.933 0.996 1.000 72 72 GLU M 73 0.962 0.952 0.750 0.773 0.980 73 73 GLY M 74 0.998 0.998 74 74 THR M 75 0.985 0.986 1.000 75 75 ARG M 76 0.987 0.962 0.938 0.992 0.247 0.214 1.000 76 76 GLN M 77 0.972 0.989 0.605 0.997 0.847 77 77 TYR M 78 0.985 0.988 0.997 0.999 78 78 TYR M 79 0.986 0.997 0.999 0.998 79 79 ARG M 80 0.998 0.996 0.996 0.737 0.935 0.939 1.000 80 80 ILE M 81 0.997 0.998 0.947 0.508 81 81 ALA M 82 0.989 0.917 82 82 GLY M 83 0.899 0.989 83 GLU M 84 0.992 0.992 0.620 0.998 0.946 84 84 ASP M 85 0.993 0.990 0.997 0.966 85 85 VAL M 86 0.997 0.999 1.000 86 86 ALA M 87 0.999 0.998 87 87 ARG M 88 0.999 0.998 0.998 0.996 0.813 0.753 1.000 88 88 LEU M 89 0.998 0.998 0.773 0.754 89 89 PHE M 90 0.993 0.989 0.732 0.828 90 90 ALA M 91 0.994 0.997 91 91 LEU M 92 0.993 0.998 0.840 0.859 92 92 VAL M 93 0.998 0.990 0.321 93 93 GLN M 94 0.996 0.998 0.935 0.999 0.925 94 94 VAL M 95 0.998 0.999 1.000 95 95 VAL M 96 0.997 0.994 0.830 96 96 ALA M 97 0.995 0.992 97 97 ASP M 98 0.994 0.981 0.884 0.869 98 98 GLU M 99 0.979 0.982 0.660 0.415 0.896 99 99 HIS M 100 0.960 0.895 0.741 0.403 100 LEU M 101 0.955 0.903 0.581 0.552 101 101 GLU M 102 0.444 0.281 0.508 0.795 0.961 HIS M 103 0.632 0.389 0.651 0.326 HIS M 104 0.748 0.200 0.410 0.214 HIS M 105 0.520 0.320 0.583 0.343 HIS M 106 0.629 0.381 0.384 0.602 HIS M 107 0.636 0.450 0.663 0.639 HIS M 108 0.560 0.210 0.702 0.801 MET M 119 0.460 0.489 0.865 0.491 0.085 ALA M 120 0.448 0.310 GLY M 121 0.269 0.186 GLN M 122 0.220 0.255 0.554 0.456 0.879 SER M 123 0.447 0.209 0.248 ASP M 124 0.597 0.586 0.585 0.951 ARG M 125 0.994 0.989 0.783 0.997 0.726 0.938 1.000 125 125 LYS M 126 0.993 0.978 0.586 0.999 0.996 0.998 126 126 ALA M 127 0.997 0.996 127 127 ALA M 128 0.998 0.997 128 128 LEU M 129 0.996 0.996 0.797 0.752 129 129 LEU M 130 0.997 0.997 0.999 0.999 130 130 ASP M 131 0.998 0.996 0.887 0.931 131 131 GLN M 132 0.991 0.995 0.584 0.400 0.682 132 132 VAL M 133 0.996 0.995 0.840 133 133 ALA M 134 0.997 0.998 134 134 ARG M 135 0.993 0.988 0.619 0.991 0.490 0.538 1.000 135 135 VAL M 136 0.998 0.996 0.936 136 136 GLY M 137 0.998 0.998 137 137 LYS M 138 0.997 0.996 0.680 1.000 1.000 1.000 138 138 ALA M 139 0.998 0.989 139 139 LEU M 140 0.983 0.945 0.999 0.999 140 140 ALA M 141 0.958 0.701 ASN M 142 0.442 0.038 0.662 0.681 GLY M 143 0.315 0.658 ARG M 144 0.960 0.972 0.999 0.736 0.857 0.939 1.000 144 144 ARG M 145 0.973 0.983 0.621 0.981 0.383 0.595 1.000 145 145 LEU M 146 0.995 0.994 0.997 0.997 146 146 GLN M 147 0.996 0.999 0.594 0.506 0.774 147 147 ILE M 148 0.998 0.998 1.000 1.000 148 148 LEU M 149 0.998 0.997 0.999 0.999 149 149 ASP M 150 0.999 0.997 0.802 0.827 150 150 LEU M 151 0.998 0.996 0.590 0.632 151 151 LEU M 152 0.996 0.996 0.977 0.350 152 152 ALA M 153 0.995 0.996 153 153 GLN M 154 0.979 0.914 0.932 0.508 0.866 154 154 GLY M 155 0.938 0.972 155 155 GLU M 156 0.995 0.995 0.420 0.744 0.912 156 156 ARG M 157 0.992 0.987 0.920 0.956 0.931 0.972 1.000 157 157 ALA M 158 0.998 0.997 158 158 VAL M 159 0.999 0.996 0.824 159 159 GLU M 160 0.999 0.999 0.670 0.999 0.883 160 160 ALA M 161 0.999 1.000 161 161 ILE M 162 0.999 0.999 1.000 1.000 162 162 ALA M 163 0.999 0.997 163 163 THR M 164 0.999 0.996 0.923 164 164 ALA M 165 0.996 0.996 165 165 THR M 166 0.999 0.995 0.861 166 166 GLY M 167 0.996 0.988 167 167 MET M 168 0.976 0.998 0.571 0.811 0.411 168 168 ASN M 169 0.996 0.989 0.694 0.883 169 169 LEU M 170 0.998 0.997 0.784 0.875 170 170 THR M 171 0.995 0.998 0.924 171 171 THR M 172 0.999 0.999 1.000 172 172 ALA M 173 1.000 0.999 173 173 SER M 174 0.998 0.993 0.645 174 174 ALA M 175 0.999 0.999 175 175 ASN M 176 0.997 0.999 0.999 0.946 176 176 LEU M 177 0.999 0.999 0.999 1.000 177 177 GLN M 178 0.998 0.998 0.643 0.258 0.741 178 178 ALA M 179 1.000 0.999 179 179 LEU M 180 0.997 0.985 0.999 1.000 180 180 LYS M 181 0.995 0.998 0.877 0.931 0.858 0.929 181 181 SER M 182 0.995 0.979 0.782 182 182 GLY M 183 0.989 0.981 183 183 GLY M 184 0.780 0.975 LEU M 185 0.804 0.932 0.997 0.999 185 VAL M 186 0.994 0.997 1.000 186 186 GLU M 187 0.978 0.988 0.425 0.996 0.839 187 187 ALA M 188 0.970 0.981 188 188 ARG M 189 0.977 0.975 0.613 0.574 0.931 0.637 1.000 189 189 ARG M 190 0.975 0.957 0.548 0.999 0.933 0.996 1.000 190 190 GLU M 191 0.962 0.952 0.750 0.773 0.980 191 191 GLY M 192 0.998 0.998 192 192 THR M 193 0.985 0.986 1.000 193 193 ARG M 194 0.987 0.962 0.938 0.992 0.247 0.215 1.000 194 194 GLN M 195 0.972 0.989 0.605 0.997 0.847 195 195 TYR M 196 0.985 0.988 0.997 0.999 196 196 TYR M 197 0.986 0.997 0.999 0.998 197 197 ARG M 198 0.998 0.996 0.996 0.737 0.935 0.939 1.000 198 198 ILE M 199 0.997 0.998 0.947 0.508 199 199 ALA M 200 0.989 0.917 200 200 GLY M 201 0.899 0.989 201 GLU M 202 0.992 0.992 0.620 0.998 0.946 202 202 ASP M 203 0.993 0.990 0.998 0.966 203 203 VAL M 204 0.997 0.999 1.000 204 204 ALA M 205 0.999 0.998 205 205 ARG M 206 0.999 0.998 0.998 0.996 0.812 0.753 1.000 206 206 LEU M 207 0.998 0.998 0.773 0.754 207 207 PHE M 208 0.993 0.989 0.732 0.828 208 208 ALA M 209 0.994 0.997 209 209 LEU M 210 0.993 0.998 0.840 0.859 210 210 VAL M 211 0.998 0.990 0.321 211 211 GLN M 212 0.996 0.998 0.935 0.999 0.925 212 212 VAL M 213 0.998 0.999 1.000 213 213 VAL M 214 0.997 0.994 0.830 214 214 ALA M 215 0.995 0.992 215 215 ASP M 216 0.994 0.981 0.884 0.869 216 216 GLU M 217 0.979 0.982 0.661 0.415 0.896 217 217 HIS M 218 0.960 0.895 0.741 0.403 218 LEU M 219 0.955 0.902 0.582 0.552 219 219 GLU M 220 0.444 0.282 0.508 0.795 0.961 HIS M 221 0.632 0.389 0.651 0.326 HIS M 222 0.748 0.200 0.410 0.213 HIS M 223 0.520 0.320 0.583 0.343 HIS M 224 0.629 0.381 0.384 0.602 HIS M 225 0.636 0.450 0.663 0.640 HIS M 226 0.560 0.702 0.801 Ranges: 8 from: M 7 to M 22 from: M 26 to M 65 from: M 68 to M 82 from: M 84 to M 99 from: M 125 to M 140 from: M 144 to M 183 from: M 186 to M 200 from: M 202 to M 217 PdbStat> > do_average_coords(): Making average for backbone atoms > do_average_coords(): Calculating center of masses > do_average_coords(): Calling optimal rotation for backbone onto model 1 > do_average_coords(): Calc. average coordinates backbone > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 1 is: 1.417 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 2 is: 1.289 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 3 is: 1.459 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 4 is: 2.820 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 5 is: 0.865 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 6 is: 0.919 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 7 is: 0.989 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 8 is: 0.767 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 9 is: 1.074 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 10 is: 1.383 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 11 is: 1.373 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 12 is: 1.292 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 13 is: 0.960 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 14 is: 0.552 (*) > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 15 is: 0.939 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 16 is: 2.049 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 17 is: 1.121 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 18 is: 0.840 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 19 is: 0.600 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 20 is: 1.576 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[7..22],[26..65],[68..82],[84..99],[125..140],[144..183],[186..200],[202..217], is: 1.214 > Range of RMSD values to reference struct. is 0.552 to 2.820 > do_average_coords(): Making average for heavy atoms > do_average_coords(): Calculating center of masses > do_average_coords(): Calling optimal rotation for heavy onto model 1 > do_average_coords(): Calc. average coordinates heavy > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 1 is: 1.760 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 2 is: 1.652 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 3 is: 1.856 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 4 is: 3.018 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 5 is: 1.317 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 6 is: 1.155 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 7 is: 1.262 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 8 is: 1.206 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 9 is: 1.270 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 10 is: 1.713 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 11 is: 1.725 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 12 is: 1.715 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 13 is: 1.483 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 14 is: 1.052 (*) > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 15 is: 1.303 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 16 is: 2.349 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 17 is: 1.386 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 18 is: 1.330 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 19 is: 1.078 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..82],M[84..99],M[125..140],M[144..183],M[186..200],M[202..217],for model 20 is: 1.839 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[7..22],[26..65],[68..82],[84..99],[125..140],[144..183],[186..200],[202..217], is: 1.573 > Range of RMSD values to reference struct. is 1.052 to 3.018 PdbStat> PdbStat> *END* of program detected, BYE! ...