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 `CTR107_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 166 MET ASP PHE GLU CYS GLN PHE VAL CYS GLU LEU LYS GLU 1 > ReadCoordsPdb(): Counting models in file `CTR107_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 CTR107_R3_em_bcr3.pdb > ReadCoordsPdb(): Reading a total of (20) models in file > ReadCoordsPdb(): I'm reading!, model 0 > ReadCoordsPdb(): *** SUMMARY *** > ReadCoordsPdb(): --> 49740 ATOM records read from file > ReadCoordsPdb(): --> 49740 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 A 1 0.452 0.796 0.344 0.177 ASP A 2 0.291 0.312 0.600 0.896 PHE A 3 0.565 0.363 0.333 0.922 GLU A 4 0.275 0.544 0.586 0.785 0.952 CYS A 5 0.466 0.528 0.493 GLN A 6 0.538 0.758 0.655 0.433 0.687 PHE A 7 0.499 0.704 0.633 0.911 VAL A 8 0.897 0.979 1.000 8 CYS A 9 0.979 0.974 0.633 9 9 GLU A 10 0.975 0.985 0.543 0.998 0.951 10 10 LEU A 11 0.979 0.996 0.922 0.867 11 11 LYS A 12 0.995 0.983 0.929 0.560 0.935 0.935 12 12 GLU A 13 0.971 0.978 0.653 0.999 0.999 13 13 LEU A 14 0.958 0.944 0.597 0.657 14 14 ALA A 15 0.926 0.996 15 15 PRO A 16 0.996 0.963 0.944 0.891 16 16 VAL A 17 0.985 0.990 1.000 17 17 PRO A 18 0.992 0.982 0.921 0.851 18 18 ALA A 19 0.991 0.986 19 19 LEU A 20 0.984 0.983 0.553 0.594 20 20 LEU A 21 0.966 0.974 0.697 0.732 21 21 ILE A 22 0.951 0.971 0.526 0.999 22 22 ARG A 23 0.976 0.975 0.871 0.998 0.465 0.938 1.000 23 23 THR A 24 0.965 0.926 0.344 24 24 GLN A 25 0.924 0.975 0.549 0.999 0.921 25 25 THR A 26 0.937 0.940 0.627 26 26 ALA A 27 0.809 0.953 27 MET A 28 0.517 0.291 0.556 0.360 0.181 SER A 29 0.280 0.884 0.312 GLU A 30 0.893 0.814 0.868 0.487 0.883 30 LEU A 31 0.952 0.959 0.538 0.496 31 31 GLY A 32 0.995 0.991 32 32 SER A 33 0.969 0.991 0.686 33 33 LEU A 34 0.975 0.967 0.565 0.558 34 34 PHE A 35 0.978 0.985 0.570 0.789 35 35 GLU A 36 0.990 0.987 0.588 0.800 0.976 36 36 ALA A 37 0.983 0.985 37 37 GLY A 38 0.971 0.954 38 38 TYR A 39 0.972 0.979 0.553 0.804 39 39 HIS A 40 0.985 0.978 0.796 0.322 40 40 ASP A 41 0.885 0.507 0.698 0.984 ILE A 42 0.632 0.516 0.099 0.702 LEU A 43 0.636 0.824 0.645 0.628 GLN A 44 0.974 0.988 0.639 0.483 0.845 44 44 LEU A 45 0.979 0.974 0.565 0.561 45 45 LEU A 46 0.945 0.950 0.752 0.748 46 46 ALA A 47 0.998 0.997 47 47 GLY A 48 0.985 0.977 48 48 GLN A 49 0.974 0.984 0.866 0.614 0.389 49 49 GLY A 50 0.991 0.992 50 50 LYS A 51 0.938 0.972 0.845 0.506 0.918 0.873 51 51 SER A 52 0.942 0.957 0.864 52 52 PRO A 53 0.988 0.980 0.902 0.837 53 53 SER A 54 0.969 0.940 0.617 54 54 GLY A 55 0.902 0.980 55 55 PRO A 56 0.996 0.977 0.956 0.914 56 56 PRO A 57 0.991 0.978 0.916 0.836 57 57 PHE A 58 0.957 0.854 0.392 0.802 58 ALA A 59 0.901 0.910 59 59 ARG A 60 0.935 0.967 0.104 0.974 0.308 0.797 0.999 60 60 TYR A 61 0.935 0.937 0.440 0.965 61 61 PHE A 62 0.947 0.924 0.462 0.988 62 62 GLY A 63 0.465 0.490 MET A 64 0.621 0.566 0.621 0.575 0.220 SER A 65 0.750 0.215 0.205 ALA A 66 0.540 0.218 GLY A 67 0.097 0.816 THR A 68 0.938 0.884 0.507 68 PHE A 69 0.855 0.866 0.230 0.746 69 GLU A 70 0.967 0.973 0.564 0.994 0.732 70 70 VAL A 71 0.975 0.976 0.255 71 71 GLU A 72 0.950 0.942 0.628 0.870 0.863 72 72 PHE A 73 0.928 0.583 0.695 0.792 GLY A 74 0.651 0.597 PHE A 75 0.840 0.965 0.461 0.896 75 PRO A 76 0.992 0.992 0.908 0.825 76 76 VAL A 77 0.988 0.982 0.919 77 77 GLU A 78 0.967 0.980 0.360 0.996 0.750 78 78 GLY A 79 0.839 0.128 GLY A 80 0.194 0.978 VAL A 81 0.967 0.956 0.456 81 81 GLU A 82 0.959 0.952 0.688 0.927 0.958 82 82 GLY A 83 0.978 0.926 83 83 SER A 84 0.905 0.429 0.529 GLY A 85 0.847 0.536 ARG A 86 0.675 0.956 0.998 0.621 0.556 0.801 1.000 VAL A 87 0.966 0.988 1.000 87 87 VAL A 88 0.989 0.983 0.785 88 88 THR A 89 0.968 0.978 0.572 89 89 GLY A 90 0.931 0.975 90 90 LEU A 91 0.906 0.990 0.550 0.726 91 91 THR A 92 0.967 0.918 0.783 92 92 PRO A 93 0.987 0.935 0.897 0.818 93 93 SER A 94 0.894 0.921 0.560 94 GLY A 95 0.777 0.943 LYS A 96 0.928 0.986 0.852 0.933 1.000 1.000 96 96 ALA A 97 0.993 0.989 97 97 ALA A 98 0.979 0.966 98 98 SER A 99 0.941 0.975 0.231 99 99 SER A 100 0.945 0.937 0.796 100 100 LEU A 101 0.960 0.969 0.556 0.804 101 101 TYR A 102 0.909 0.951 0.768 0.841 102 102 ILE A 103 0.961 0.986 0.928 0.687 103 103 GLY A 104 0.913 0.981 104 104 PRO A 105 0.994 0.868 0.955 0.916 105 TYR A 106 0.908 0.960 0.644 0.910 106 106 GLY A 107 0.746 0.684 GLU A 108 0.856 0.833 0.751 0.430 0.773 108 ILE A 109 0.955 0.967 0.165 0.454 109 109 GLU A 110 0.994 0.989 0.733 0.769 0.961 110 110 ALA A 111 0.998 0.981 111 111 VAL A 112 0.952 0.977 0.292 112 112 TYR A 113 0.996 0.996 0.621 0.676 113 113 ASP A 114 0.998 0.997 0.896 0.932 114 114 ALA A 115 0.999 0.995 115 115 LEU A 116 0.992 0.989 0.685 0.547 116 116 MET A 117 0.978 0.973 0.520 0.576 0.207 117 117 LYS A 118 0.994 0.992 0.619 0.864 0.999 0.800 118 118 TRP A 119 0.994 0.994 0.731 0.578 119 119 VAL A 120 0.989 0.980 0.414 120 120 ASP A 121 0.998 0.996 0.942 0.965 121 121 ASP A 122 0.981 0.996 0.938 0.938 122 122 ASN A 123 0.977 0.986 0.998 0.888 123 123 GLY A 124 0.988 0.968 124 124 PHE A 125 0.931 0.972 0.916 0.469 125 125 ASP A 126 0.863 0.799 0.627 0.948 LEU A 127 0.809 0.974 0.617 0.636 127 SER A 128 0.891 0.630 0.454 GLY A 129 0.366 0.357 GLU A 130 0.859 0.954 0.087 0.879 0.827 130 ALA A 131 0.888 0.982 131 TYR A 132 0.965 0.925 0.230 0.881 132 132 GLU A 133 0.953 0.948 0.374 0.944 0.802 133 133 ILE A 134 0.955 0.988 0.864 0.838 134 134 TYR A 135 0.972 0.809 0.927 0.562 135 LEU A 136 0.802 0.053 0.645 0.700 ASP A 137 0.375 0.934 0.444 0.882 ASN A 138 0.845 0.940 0.720 0.908 138 PRO A 139 0.991 0.976 0.907 0.824 139 139 ALA A 140 0.893 0.816 140 GLU A 141 0.836 0.926 0.742 0.548 0.903 141 THR A 142 0.963 0.141 0.234 ALA A 143 0.241 0.892 PRO A 144 0.988 0.475 0.905 0.824 ASP A 145 0.547 0.921 0.706 0.906 GLN A 146 0.968 0.942 0.999 0.668 0.933 146 146 LEU A 147 0.932 0.873 0.472 0.585 147 ARG A 148 0.893 0.952 0.790 0.921 0.463 0.733 1.000 148 THR A 149 0.959 0.980 0.853 149 149 ARG A 150 0.957 0.979 0.751 0.928 0.491 0.574 1.000 150 150 VAL A 151 0.966 0.983 0.704 151 151 SER A 152 0.970 0.944 0.425 152 152 LEU A 153 0.939 0.960 0.548 0.639 153 153 MET A 154 0.954 0.709 0.406 0.720 0.219 LEU A 155 0.697 0.145 0.772 0.771 HIS A 156 0.268 0.184 0.611 0.087 GLU A 157 0.037 0.144 0.516 0.779 0.942 SER A 158 0.434 0.495 0.276 LEU A 159 0.564 0.189 0.855 0.725 GLU A 160 0.565 0.702 0.508 0.562 0.775 HIS A 161 0.633 0.354 0.445 0.318 HIS A 162 0.494 0.399 0.449 0.436 HIS A 163 0.573 0.536 0.505 0.566 HIS A 164 0.408 0.556 0.342 0.492 HIS A 165 0.746 0.553 0.353 0.556 HIS A 166 0.844 0.484 0.443 Ranges: 12 from: A 9 to A 26 from: A 31 to A 40 from: A 44 to A 57 from: A 59 to A 62 from: A 70 to A 72 from: A 76 to A 78 from: A 81 to A 83 from: A 87 to A 93 from: A 96 to A 104 from: A 109 to A 125 from: A 132 to A 134 from: A 149 to A 153 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. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 1 is: 0.929 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 2 is: 1.800 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 3 is: 1.454 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 4 is: 0.868 (*) > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 5 is: 1.443 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 6 is: 1.440 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 7 is: 2.563 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 8 is: 1.218 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 9 is: 1.485 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 10 is: 1.663 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 11 is: 1.264 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 12 is: 1.294 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 13 is: 1.403 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 14 is: 1.575 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 15 is: 1.198 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 16 is: 1.203 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 17 is: 1.877 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 18 is: 1.892 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 19 is: 1.015 > Kabsch RMSD of backbone atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 20 is: 1.883 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[9..26],[31..40],[44..57],[59..62],[70..72],[76..78],[81..83],[87..93],[96..104],[109..125],[132..134],[149..153], is: 1.473 > Range of RMSD values to reference struct. is 0.868 to 2.563 > 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. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 1 is: 1.344 (*) > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 2 is: 2.220 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 3 is: 1.844 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 4 is: 1.408 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 5 is: 1.909 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 6 is: 1.734 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 7 is: 2.982 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 8 is: 1.567 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 9 is: 1.945 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 10 is: 2.080 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 11 is: 1.648 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 12 is: 1.675 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 13 is: 1.886 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 14 is: 1.927 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 15 is: 1.711 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 16 is: 1.601 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 17 is: 2.338 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 18 is: 2.327 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 19 is: 1.411 > Kabsch RMSD of heavy atoms in res. A[9..26],A[31..40],A[44..57],A[59..62],A[70..72],A[76..78],A[81..83],A[87..93],A[96..104],A[109..125],A[132..134],A[149..153],for model 20 is: 2.185 > > Kabsch RMSD statistics for 20 structures: > Mean RMSD using as refer. str. `average' for res.[9..26],[31..40],[44..57],[59..62],[70..72],[76..78],[81..83],[87..93],[96..104],[109..125],[132..134],[149..153], is: 1.887 > Range of RMSD values to reference struct. is 1.344 to 2.982 PdbStat> PdbStat> *END* of program detected, BYE! ...