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_NMR_em_bcr3.pdb' opened for reading > ReadCoordsPdb(): >> HEADER DNA BINDING PROTEIN 26-JUN-09 2KKO > ReadCoordsPdb(): >> TITLE SOLUTION NMR STRUCTURE OF THE HOMODIMERIC WINGED HELIX-TURN- > ReadCoordsPdb(): >> TITLE 2 HELIX DNA-BINDING DOMAIN (FRAGMENT 1-100) MB0332 FROM > ReadCoordsPdb(): >> TITLE 3 MYCOBACTERIUM BOVIS, A POSSIBLE ARSR-FAMILY TRANSCRIPTIONAL > ReadCoordsPdb(): >> TITLE 4 REGULATOR. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET 1 > ReadCoordsPdb(): Counting models in file `MBR242E_NMR_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_NMR_em_bcr3.pdb > ReadCoordsPdb(): Reading a total of (20) models in file > ReadCoordsPdb(): I'm reading!, model 0 > ReadCoordsPdb(): *** SUMMARY *** > ReadCoordsPdb(): --> 66560 ATOM records read from file > ReadCoordsPdb(): --> 66560 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 0.430 0.477 0.649 0.496 ALA M 2 0.456 0.276 GLY M 3 0.433 0.083 GLN M 4 0.177 0.248 0.393 0.642 0.084 SER M 5 0.457 0.421 0.245 ASP M 6 0.617 0.680 0.518 0.320 ARG M 7 0.990 0.971 0.312 0.850 0.156 0.804 0.998 7 7 LYS M 8 0.993 0.981 0.430 0.959 0.440 0.246 8 8 ALA M 9 0.998 0.993 9 9 ALA M 10 0.995 0.997 10 10 LEU M 11 0.999 0.995 0.662 0.563 11 11 LEU M 12 0.999 0.995 0.999 0.999 12 12 ASP M 13 0.998 0.995 0.834 0.379 13 13 GLN M 14 0.998 0.996 0.568 0.577 0.159 14 14 VAL M 15 0.997 0.992 0.590 15 15 ALA M 16 0.998 0.993 16 16 ARG M 17 0.995 0.994 0.787 0.863 0.088 0.550 0.998 17 17 VAL M 18 0.998 0.992 0.788 18 18 GLY M 19 0.999 0.995 19 19 LYS M 20 0.997 0.995 0.531 0.933 0.549 0.499 20 20 ALA M 21 0.996 0.992 21 21 LEU M 22 0.988 0.932 0.651 0.508 22 22 ALA M 23 0.994 0.786 ASN M 24 0.453 0.040 0.507 0.463 GLY M 25 0.263 0.684 ARG M 26 0.995 0.978 0.674 0.704 0.173 0.578 0.999 26 26 ARG M 27 0.988 0.992 0.519 0.982 0.308 0.734 0.998 27 27 LEU M 28 0.998 0.995 0.997 0.999 28 28 GLN M 29 0.998 0.998 0.685 0.828 0.264 29 29 ILE M 30 0.999 0.997 1.000 0.849 30 30 LEU M 31 0.999 0.998 0.998 0.999 31 31 ASP M 32 0.999 0.996 0.997 0.599 32 32 LEU M 33 0.994 0.996 0.859 0.658 33 33 LEU M 34 0.996 0.989 0.979 0.866 34 34 ALA M 35 0.995 0.994 35 35 GLN M 36 0.987 0.960 0.452 0.719 0.140 36 36 GLY M 37 0.971 0.887 37 GLU M 38 0.966 0.984 0.745 0.625 0.366 38 38 ARG M 39 0.977 0.988 0.717 0.115 0.342 0.682 0.998 39 39 ALA M 40 0.997 0.998 40 40 VAL M 41 0.999 0.997 0.999 41 41 GLU M 42 0.999 0.997 0.713 0.495 0.314 42 42 ALA M 43 0.998 0.999 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 0.998 0.999 46 46 ALA M 47 0.999 0.996 47 47 THR M 48 0.995 0.996 1.000 48 48 GLY M 49 0.996 0.992 49 49 MET M 50 0.991 0.977 0.840 0.955 0.618 50 50 ASN M 51 0.988 0.993 0.457 0.497 51 51 LEU M 52 0.998 0.996 0.988 0.329 52 52 THR M 53 0.998 0.992 0.529 53 53 THR M 54 0.997 0.997 0.990 54 54 ALA M 55 0.999 0.998 55 55 SER M 56 0.999 0.996 0.045 56 56 ALA M 57 0.998 0.998 57 57 ASN M 58 0.996 0.996 0.913 0.784 58 58 LEU M 59 0.999 0.997 0.999 0.999 59 59 GLN M 60 0.999 0.998 0.591 0.705 0.158 60 60 ALA M 61 0.998 0.997 61 61 LEU M 62 0.995 0.987 0.932 0.800 62 62 LYS M 63 0.997 0.984 0.986 0.929 0.544 0.113 63 63 SER M 64 0.993 0.991 0.512 64 64 GLY M 65 0.945 0.966 65 65 GLY M 66 0.804 0.969 66 LEU M 67 0.787 0.901 0.781 0.188 VAL M 68 0.995 0.997 0.999 68 68 GLU M 69 0.992 0.992 0.732 0.571 0.368 69 69 ALA M 70 0.985 0.981 70 70 ARG M 71 0.977 0.974 0.549 0.733 0.199 0.639 0.999 71 71 ARG M 72 0.987 0.961 0.373 0.570 0.152 0.610 0.998 72 72 GLU M 73 0.977 0.982 0.627 0.147 0.216 73 73 GLY M 74 0.997 0.989 74 74 THR M 75 0.983 0.983 0.240 75 75 ARG M 76 0.990 0.989 0.782 0.937 0.542 0.592 0.998 76 76 GLN M 77 0.989 0.994 0.592 0.943 0.425 77 77 TYR M 78 0.996 0.986 0.997 0.896 78 78 TYR M 79 0.990 0.998 0.998 0.900 79 79 ARG M 80 0.991 0.990 0.484 0.876 0.100 0.602 0.998 80 80 ILE M 81 0.991 0.997 1.000 0.609 81 81 ALA M 82 0.986 0.911 82 82 GLY M 83 0.909 0.983 83 83 GLU M 84 0.997 0.993 0.576 0.686 0.274 84 84 ASP M 85 0.997 0.989 0.533 0.319 85 85 VAL M 86 0.997 0.998 0.999 86 86 ALA M 87 0.999 0.998 87 87 ARG M 88 0.997 0.993 0.983 0.774 0.066 0.596 0.999 88 88 LEU M 89 0.999 0.997 0.996 0.690 89 89 PHE M 90 0.999 0.998 0.996 0.996 90 90 ALA M 91 0.999 0.998 91 91 LEU M 92 0.998 0.998 0.996 0.687 92 92 VAL M 93 0.999 0.997 0.368 93 93 GLN M 94 0.999 0.999 0.868 0.997 0.444 94 94 VAL M 95 0.998 0.998 0.999 95 95 VAL M 96 0.998 0.992 0.753 96 96 ALA M 97 0.988 0.982 97 97 ASP M 98 0.988 0.992 0.949 0.512 98 98 GLU M 99 0.987 0.965 0.323 0.623 0.310 99 99 HIS M 100 0.982 0.980 0.555 0.395 100 100 LEU M 101 0.984 0.956 0.557 0.512 101 101 GLU M 102 0.478 0.287 0.567 0.375 0.229 HIS M 103 0.620 0.462 0.603 0.243 HIS M 104 0.773 0.134 0.259 0.309 HIS M 105 0.527 0.328 0.219 0.325 HIS M 106 0.635 0.440 0.367 0.351 HIS M 107 0.555 0.452 0.257 0.348 HIS M 108 0.555 0.227 0.413 0.461 MET M 119 0.288 0.624 0.242 0.648 0.271 ALA M 120 0.385 0.130 GLY M 121 0.385 0.135 GLN M 122 0.650 0.362 0.498 0.590 0.180 SER M 123 0.149 0.337 0.507 ASP M 124 0.545 0.494 0.432 0.609 ARG M 125 0.980 0.973 0.511 0.769 0.155 0.573 0.999 125 125 LYS M 126 0.988 0.990 0.307 0.739 0.390 0.366 126 126 ALA M 127 0.998 0.995 127 127 ALA M 128 0.994 0.997 128 128 LEU M 129 0.998 0.997 0.651 0.274 129 129 LEU M 130 0.998 0.997 0.999 0.999 130 130 ASP M 131 0.994 0.992 0.817 0.541 131 131 GLN M 132 0.998 0.999 0.808 0.470 0.095 132 132 VAL M 133 0.997 0.993 0.487 133 133 ALA M 134 0.997 0.997 134 134 ARG M 135 0.997 0.997 0.771 0.930 0.140 0.763 0.998 135 135 VAL M 136 0.999 0.992 0.705 136 136 GLY M 137 0.999 0.994 137 137 LYS M 138 0.997 0.995 0.631 0.989 0.483 0.312 138 138 ALA M 139 0.996 0.993 139 139 LEU M 140 0.993 0.935 0.618 0.534 140 140 ALA M 141 0.984 0.591 ASN M 142 0.823 0.214 0.151 0.321 GLY M 143 0.032 0.714 ARG M 144 0.991 0.974 0.494 0.591 0.117 0.715 0.998 144 144 ARG M 145 0.981 0.990 0.503 0.995 0.596 0.847 0.999 145 145 LEU M 146 0.996 0.993 0.996 0.997 146 146 GLN M 147 0.999 0.999 0.645 0.997 0.148 147 147 ILE M 148 0.999 0.997 1.000 0.925 148 148 LEU M 149 0.999 0.998 0.999 0.999 149 149 ASP M 150 0.998 0.993 0.906 0.701 150 150 LEU M 151 0.996 0.996 0.998 0.953 151 151 LEU M 152 0.992 0.991 0.975 0.792 152 152 ALA M 153 0.993 0.987 153 153 GLN M 154 0.980 0.959 0.571 0.994 0.395 154 154 GLY M 155 0.960 0.906 155 155 GLU M 156 0.960 0.989 0.597 0.638 0.228 156 156 ARG M 157 0.987 0.991 0.827 0.205 0.623 0.686 0.999 157 157 ALA M 158 0.995 0.995 158 158 VAL M 159 0.999 0.996 0.999 159 159 GLU M 160 0.999 0.997 0.693 0.340 0.386 160 160 ALA M 161 0.998 0.998 161 161 ILE M 162 0.999 0.999 0.999 1.000 162 162 ALA M 163 0.999 0.997 163 163 THR M 164 0.999 0.999 0.999 164 164 ALA M 165 0.999 0.997 165 165 THR M 166 0.996 0.996 0.999 166 166 GLY M 167 0.995 0.992 167 167 MET M 168 0.990 0.972 0.540 0.935 0.485 168 168 ASN M 169 0.981 0.993 0.665 0.237 169 169 LEU M 170 0.996 0.997 0.923 0.416 170 170 THR M 171 0.999 0.995 0.496 171 171 THR M 172 0.997 0.997 0.995 172 172 ALA M 173 1.000 0.997 173 173 SER M 174 0.998 0.994 0.048 174 174 ALA M 175 0.998 0.998 175 175 ASN M 176 0.998 0.996 0.823 0.748 176 176 LEU M 177 0.999 0.997 0.999 0.999 177 177 GLN M 178 0.999 0.996 0.723 0.679 0.233 178 178 ALA M 179 0.999 0.997 179 179 LEU M 180 0.997 0.989 0.910 0.998 180 180 LYS M 181 0.997 0.990 0.991 0.857 0.727 0.138 181 181 SER M 182 0.998 0.997 0.485 182 182 GLY M 183 0.969 0.978 183 183 GLY M 184 0.902 0.985 184 184 LEU M 185 0.896 0.937 0.887 0.340 185 VAL M 186 0.993 0.996 0.999 186 186 GLU M 187 0.989 0.991 0.919 0.709 0.456 187 187 ALA M 188 0.979 0.969 188 188 ARG M 189 0.980 0.938 0.394 0.491 0.440 0.567 0.999 189 189 ARG M 190 0.958 0.975 0.646 0.641 0.299 0.812 0.999 190 190 GLU M 191 0.985 0.979 0.627 0.391 0.333 191 191 GLY M 192 0.997 0.989 192 192 THR M 193 0.975 0.981 0.196 193 193 ARG M 194 0.983 0.990 0.643 0.916 0.623 0.483 0.996 194 194 GLN M 195 0.988 0.981 0.575 0.866 0.487 195 195 TYR M 196 0.994 0.979 0.994 0.421 196 196 TYR M 197 0.983 0.992 0.994 0.998 197 197 ARG M 198 0.990 0.993 0.413 0.808 0.363 0.644 0.998 198 198 ILE M 199 0.992 0.998 0.999 0.519 199 199 ALA M 200 0.995 0.975 200 200 GLY M 201 0.957 0.972 201 201 GLU M 202 0.997 0.995 0.630 0.398 0.229 202 202 ASP M 203 0.996 0.990 0.483 0.357 203 203 VAL M 204 0.999 0.999 0.999 204 204 ALA M 205 0.999 0.996 205 205 ARG M 206 0.995 0.989 0.992 0.767 0.322 0.830 0.999 206 206 LEU M 207 0.998 0.997 0.992 0.692 207 207 PHE M 208 0.999 0.998 0.999 0.998 208 208 ALA M 209 0.999 0.998 209 209 LEU M 210 0.999 0.997 0.997 0.731 210 210 VAL M 211 0.999 0.994 0.735 211 211 GLN M 212 0.998 0.994 0.797 0.994 0.390 212 212 VAL M 213 0.999 0.998 0.998 213 213 VAL M 214 0.997 0.985 0.439 214 214 ALA M 215 0.986 0.978 215 215 ASP M 216 0.983 0.985 0.996 0.493 216 216 GLU M 217 0.984 0.964 0.531 0.268 0.442 217 217 HIS M 218 0.988 0.986 0.685 0.560 218 218 LEU M 219 0.953 0.441 0.545 0.084 GLU M 220 0.412 0.161 0.293 0.237 0.253 HIS M 221 0.663 0.600 0.582 0.417 HIS M 222 0.460 0.437 0.064 0.285 HIS M 223 0.445 0.204 0.198 0.270 HIS M 224 0.652 0.076 0.469 0.166 HIS M 225 0.557 0.266 0.312 0.203 HIS M 226 0.798 0.478 0.255 Ranges: 7 from: M 7 to M 22 from: M 26 to M 36 from: M 38 to M 65 from: M 68 to M 101 from: M 125 to M 140 from: M 144 to M 184 from: M 186 to M 218 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..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 1 is: 0.482 (*) > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 2 is: 1.247 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 3 is: 0.789 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 4 is: 0.888 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 5 is: 0.638 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 6 is: 0.830 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 7 is: 0.714 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 8 is: 0.648 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 9 is: 0.959 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 10 is: 0.655 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 11 is: 0.871 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 12 is: 0.738 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 13 is: 0.799 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 14 is: 0.719 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 15 is: 0.640 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 16 is: 1.039 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 17 is: 0.581 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 18 is: 0.726 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 19 is: 1.303 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 20 is: 0.740 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[7..22],[26..36],[38..65],[68..101],[125..140],[144..184],[186..218], is: 0.800 > Range of RMSD values to reference struct. is 0.482 to 1.303 > 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..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 1 is: 1.001 (*) > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 2 is: 1.601 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 3 is: 1.172 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 4 is: 1.244 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 5 is: 1.164 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 6 is: 1.297 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 7 is: 1.201 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 8 is: 1.172 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 9 is: 1.346 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 10 is: 1.134 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 11 is: 1.269 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 12 is: 1.139 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 13 is: 1.230 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 14 is: 1.207 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 15 is: 1.193 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 16 is: 1.391 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 17 is: 1.109 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 18 is: 1.201 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 19 is: 1.618 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..36],M[38..65],M[68..101],M[125..140],M[144..184],M[186..218],for model 20 is: 1.197 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[7..22],[26..36],[38..65],[68..101],[125..140],[144..184],[186..218], is: 1.244 > Range of RMSD values to reference struct. is 1.001 to 1.618 PdbStat> PdbStat> *END* of program detected, BYE! ...