From mailer@bialko.llnl.gov Wed Aug 14 11:19:08 2002 Date: Wed, 14 Aug 2002 11:19:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 10:51:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_641492_23790 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_1 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1C8Y_A # Loading PARENT structure: 1c8y (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1C8Y_A ATOM 76 CA ILE 25 32.242 17.293 61.579 1.00 1.00 ATOM 77 CA ALA 26 29.636 14.684 60.660 1.00 1.00 ATOM 78 CA HIS 27 29.224 15.904 57.061 1.00 1.00 ATOM 79 CA TYR 28 33.019 15.548 56.456 1.00 1.00 ATOM 80 CA THR 29 32.883 11.972 57.817 1.00 1.00 ATOM 81 CA SER 30 29.755 11.173 55.736 1.00 1.00 ATOM 82 CA ARG 31 31.804 11.921 52.627 1.00 1.00 ATOM 83 CA GLY 32 34.669 9.672 53.659 1.00 1.00 ATOM 84 CA ALA 33 37.006 12.210 55.212 1.00 1.00 ATOM 85 CA GLN 34 38.551 11.288 58.588 1.00 1.00 ATOM 86 CA VAL 35 38.464 13.990 61.284 1.00 1.00 ATOM 87 CA HIS 36 41.163 14.265 63.950 1.00 1.00 ATOM 88 CA GLU 45 41.495 16.541 66.978 1.00 1.00 ATOM 89 CA GLY 46 44.941 18.107 67.183 1.00 1.00 ATOM 90 CA GLU 47 46.210 18.782 70.723 1.00 1.00 ATOM 91 CA VAL 48 48.798 21.626 71.229 1.00 1.00 ATOM 92 CA ILE 49 50.724 23.149 74.148 1.00 1.00 ATOM 93 CA GLY 50 49.114 26.164 75.826 1.00 1.00 ATOM 94 CA ASP 51 51.972 28.053 77.482 1.00 1.00 ATOM 95 CA ARG 52 51.185 26.568 80.940 1.00 1.00 ATOM 96 CA TRP 53 54.147 24.264 81.578 1.00 1.00 ATOM 97 CA ALA 54 52.364 20.974 81.007 1.00 1.00 ATOM 98 CA GLN 55 53.262 19.237 77.739 1.00 1.00 ATOM 99 CA LEU 56 53.118 15.703 76.314 1.00 1.00 ATOM 100 CA THR 57 56.764 15.118 77.386 1.00 1.00 ATOM 101 CA ALA 58 56.645 16.070 81.093 1.00 1.00 ATOM 102 CA ASP 59 53.937 13.988 82.745 1.00 1.00 ATOM 103 CA HIS 60 55.439 12.870 86.077 1.00 1.00 ATOM 104 CA ALA 61 54.267 9.227 85.866 1.00 1.00 ATOM 105 CA ASP 62 52.502 6.466 83.993 1.00 1.00 ATOM 106 CA GLN 63 49.302 7.133 85.918 1.00 1.00 ATOM 107 CA LEU 64 49.331 10.845 85.162 1.00 1.00 ATOM 108 CA GLY 65 49.909 10.334 81.409 1.00 1.00 ATOM 109 CA GLY 66 47.185 7.689 81.388 1.00 1.00 ATOM 110 CA TYR 67 44.585 9.982 83.011 1.00 1.00 ATOM 111 CA ARG 68 45.191 12.531 80.206 1.00 1.00 ATOM 112 CA ILE 69 44.940 9.812 77.527 1.00 1.00 ATOM 113 CA GLY 70 41.506 8.955 78.942 1.00 1.00 ATOM 114 CA GLU 71 40.411 12.555 78.592 1.00 1.00 ATOM 115 CA LEU 72 41.553 12.336 74.962 1.00 1.00 ATOM 116 CA THR 73 39.871 9.015 74.171 1.00 1.00 ATOM 117 CA ALA 74 36.736 10.164 76.023 1.00 1.00 ATOM 118 CA ALA 75 36.631 13.350 73.918 1.00 1.00 ATOM 119 CA LEU 76 37.104 11.258 70.748 1.00 1.00 ATOM 120 CA ARG 77 34.135 9.004 71.660 1.00 1.00 ATOM 121 CA ALA 78 31.897 11.785 72.923 1.00 1.00 ATOM 122 CA LEU 79 32.205 13.840 69.742 1.00 1.00 ATOM 123 CA GLY 80 32.494 10.904 67.362 1.00 1.00 ATOM 124 CA VAL 81 36.020 11.773 66.176 1.00 1.00 ATOM 125 CA SER 82 38.304 9.518 64.163 1.00 1.00 ATOM 126 CA ALA 83 41.417 10.290 66.076 1.00 1.00 ATOM 127 CA PRO 84 44.021 12.536 67.705 1.00 1.00 ATOM 128 CA ILE 85 47.018 14.459 66.436 1.00 1.00 ATOM 129 CA TYR 86 49.878 15.399 68.811 1.00 1.00 ATOM 130 CA LEU 87 51.527 18.780 68.305 1.00 1.00 ATOM 131 CA GLY 88 54.110 19.387 71.031 1.00 1.00 ATOM 132 CA GLY 89 54.560 23.115 70.678 1.00 1.00 ATOM 133 CA ALA 90 54.035 26.013 73.101 1.00 1.00 ATOM 134 CA GLY 91 53.943 23.767 76.194 1.00 1.00 ATOM 135 CA ARG 92 56.703 25.944 77.671 1.00 1.00 ATOM 136 CA TRP 93 57.882 23.200 79.978 1.00 1.00 ATOM 137 CA ARG 94 58.773 24.736 83.311 1.00 1.00 ATOM 138 CA ASP 95 56.130 27.444 83.712 1.00 1.00 ATOM 139 CA SER 96 54.134 27.222 86.916 1.00 1.00 ATOM 140 CA GLY 97 56.785 25.086 88.604 1.00 1.00 ATOM 141 CA MET 98 56.672 22.213 86.119 1.00 1.00 ATOM 142 CA ALA 99 59.407 19.828 85.055 1.00 1.00 ATOM 143 CA GLY 100 61.435 19.661 81.871 1.00 1.00 ATOM 144 CA THR 101 60.615 16.955 79.338 1.00 1.00 ATOM 145 CA ASP 102 61.564 13.495 80.592 1.00 1.00 ATOM 146 CA ARG 115 61.926 10.319 78.460 1.00 1.00 ATOM 147 CA GLN 116 58.908 8.228 79.643 1.00 1.00 ATOM 148 CA THR 117 56.042 10.709 79.564 1.00 1.00 ATOM 149 CA VAL 118 55.230 10.514 75.866 1.00 1.00 ATOM 150 CA GLY 119 55.747 6.734 75.702 1.00 1.00 ATOM 151 CA ALA 120 53.257 6.423 78.581 1.00 1.00 ATOM 152 CA LEU 121 50.768 8.815 76.992 1.00 1.00 ATOM 153 CA VAL 122 50.877 7.205 73.553 1.00 1.00 ATOM 154 CA ALA 123 50.698 3.653 74.919 1.00 1.00 ATOM 155 CA ILE 124 47.638 4.503 77.006 1.00 1.00 ATOM 156 CA ILE 125 45.790 6.356 74.224 1.00 1.00 ATOM 157 CA ARG 126 46.416 3.588 71.660 1.00 1.00 ATOM 158 CA GLU 127 45.228 1.020 74.243 1.00 1.00 ATOM 159 CA LEU 128 42.148 3.170 74.819 1.00 1.00 ATOM 160 CA ARG 129 41.232 3.479 71.143 1.00 1.00 ATOM 161 CA PRO 130 42.873 0.575 69.241 1.00 1.00 ATOM 162 CA HIS 131 40.940 1.144 66.014 1.00 1.00 ATOM 163 CA VAL 132 41.281 4.927 65.725 1.00 1.00 ATOM 164 CA VAL 133 43.924 7.343 64.374 1.00 1.00 ATOM 165 CA VAL 134 46.818 8.844 66.246 1.00 1.00 ATOM 166 CA THR 135 49.230 11.071 64.347 1.00 1.00 ATOM 167 CA TYR 136 52.292 13.115 65.076 1.00 1.00 ATOM 168 CA ASP 137 52.919 16.694 64.037 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 11:18:19 2002 Date: Wed, 14 Aug 2002 11:18:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 10:50:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_633590_23788 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_2 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1C8X_A # Loading PARENT structure: 1c8x (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1C8X_A ATOM 76 CA ILE 25 44.298 48.654 56.541 1.00 1.00 ATOM 77 CA ALA 26 43.879 52.077 54.946 1.00 1.00 ATOM 78 CA HIS 27 41.395 50.864 52.339 1.00 1.00 ATOM 79 CA TYR 28 39.023 49.785 55.157 1.00 1.00 ATOM 80 CA THR 29 39.592 53.019 57.022 1.00 1.00 ATOM 81 CA SER 30 38.955 55.022 53.817 1.00 1.00 ATOM 82 CA ARG 31 35.559 53.265 53.712 1.00 1.00 ATOM 83 CA GLY 32 34.849 54.541 57.215 1.00 1.00 ATOM 84 CA ALA 33 35.700 51.231 58.910 1.00 1.00 ATOM 85 CA GLN 34 37.493 51.545 62.277 1.00 1.00 ATOM 86 CA VAL 35 40.363 49.039 62.681 1.00 1.00 ATOM 87 CA HIS 36 41.402 47.678 66.107 1.00 1.00 ATOM 88 CA GLU 45 44.503 45.639 67.175 1.00 1.00 ATOM 89 CA GLY 46 43.551 42.672 69.382 1.00 1.00 ATOM 90 CA GLU 47 45.926 41.268 72.042 1.00 1.00 ATOM 91 CA VAL 48 45.824 37.688 73.433 1.00 1.00 ATOM 92 CA ILE 49 47.650 35.661 76.080 1.00 1.00 ATOM 93 CA GLY 50 50.435 33.507 74.659 1.00 1.00 ATOM 94 CA ASP 51 50.996 30.742 77.206 1.00 1.00 ATOM 95 CA ARG 52 53.691 32.754 78.979 1.00 1.00 ATOM 96 CA TRP 53 52.465 33.488 82.502 1.00 1.00 ATOM 97 CA ALA 54 52.187 37.194 81.747 1.00 1.00 ATOM 98 CA GLN 55 48.588 38.281 81.313 1.00 1.00 ATOM 99 CA LEU 56 46.559 41.486 81.515 1.00 1.00 ATOM 100 CA THR 57 45.597 40.821 85.181 1.00 1.00 ATOM 101 CA ALA 58 49.176 39.986 86.025 1.00 1.00 ATOM 102 CA ASP 59 51.322 43.087 86.212 1.00 1.00 ATOM 103 CA HIS 60 53.294 43.435 89.528 1.00 1.00 ATOM 104 CA ALA 61 53.141 47.222 89.575 1.00 1.00 ATOM 105 CA ASP 62 51.496 50.242 88.002 1.00 1.00 ATOM 106 CA GLN 63 54.746 51.104 86.224 1.00 1.00 ATOM 107 CA LEU 64 54.992 47.592 84.652 1.00 1.00 ATOM 108 CA GLY 65 51.396 47.737 83.507 1.00 1.00 ATOM 109 CA GLY 66 52.004 51.303 82.290 1.00 1.00 ATOM 110 CA TYR 67 55.008 50.256 80.226 1.00 1.00 ATOM 111 CA ARG 68 52.913 47.609 78.429 1.00 1.00 ATOM 112 CA ILE 69 50.199 50.276 78.007 1.00 1.00 ATOM 113 CA GLY 70 52.893 52.338 76.244 1.00 1.00 ATOM 114 CA GLU 71 53.762 49.579 73.778 1.00 1.00 ATOM 115 CA LEU 72 50.080 49.306 72.832 1.00 1.00 ATOM 116 CA THR 73 49.648 53.047 72.572 1.00 1.00 ATOM 117 CA ALA 74 52.720 53.418 70.352 1.00 1.00 ATOM 118 CA ALA 75 51.624 50.634 68.040 1.00 1.00 ATOM 119 CA LEU 76 48.241 52.309 67.596 1.00 1.00 ATOM 120 CA ARG 77 50.000 55.577 66.625 1.00 1.00 ATOM 121 CA ALA 78 52.787 54.002 64.554 1.00 1.00 ATOM 122 CA LEU 79 50.265 51.977 62.572 1.00 1.00 ATOM 123 CA GLY 80 47.512 54.574 62.449 1.00 1.00 ATOM 124 CA VAL 81 45.067 52.172 64.111 1.00 1.00 ATOM 125 CA SER 82 41.772 53.069 65.798 1.00 1.00 ATOM 126 CA ALA 83 42.173 51.222 69.072 1.00 1.00 ATOM 127 CA PRO 84 43.037 48.130 71.093 1.00 1.00 ATOM 128 CA ILE 85 40.943 45.084 72.008 1.00 1.00 ATOM 129 CA TYR 86 41.807 42.926 75.047 1.00 1.00 ATOM 130 CA LEU 87 41.444 39.140 75.056 1.00 1.00 ATOM 131 CA GLY 88 42.372 37.596 78.418 1.00 1.00 ATOM 132 CA GLY 89 42.712 34.021 77.276 1.00 1.00 ATOM 133 CA ALA 90 45.704 31.646 77.128 1.00 1.00 ATOM 134 CA GLY 91 48.023 33.752 79.329 1.00 1.00 ATOM 135 CA ARG 92 48.619 30.782 81.673 1.00 1.00 ATOM 136 CA TRP 93 49.104 32.821 84.834 1.00 1.00 ATOM 137 CA ARG 94 51.699 31.098 86.971 1.00 1.00 ATOM 138 CA ASP 95 54.134 30.160 84.189 1.00 1.00 ATOM 139 CA SER 96 57.719 31.441 84.323 1.00 1.00 ATOM 140 CA GLY 97 57.284 32.369 87.982 1.00 1.00 ATOM 141 CA MET 98 54.499 34.878 87.321 1.00 1.00 ATOM 142 CA ALA 99 51.822 35.760 89.814 1.00 1.00 ATOM 143 CA GLY 100 48.196 34.665 89.788 1.00 1.00 ATOM 144 CA THR 101 45.712 37.338 88.769 1.00 1.00 ATOM 145 CA ASP 102 45.883 40.336 91.147 1.00 1.00 ATOM 146 CA ARG 115 43.346 43.084 91.734 1.00 1.00 ATOM 147 CA GLN 116 45.342 46.092 90.468 1.00 1.00 ATOM 148 CA THR 117 47.062 45.022 87.221 1.00 1.00 ATOM 149 CA VAL 118 44.223 45.403 84.708 1.00 1.00 ATOM 150 CA GLY 119 43.040 48.694 86.262 1.00 1.00 ATOM 151 CA ALA 120 46.559 50.028 86.002 1.00 1.00 ATOM 152 CA LEU 121 46.826 48.899 82.348 1.00 1.00 ATOM 153 CA VAL 122 43.488 50.400 81.206 1.00 1.00 ATOM 154 CA ALA 123 44.071 53.662 83.062 1.00 1.00 ATOM 155 CA ILE 124 47.506 54.012 81.547 1.00 1.00 ATOM 156 CA ILE 125 46.378 53.025 78.066 1.00 1.00 ATOM 157 CA ARG 126 43.441 55.400 78.101 1.00 1.00 ATOM 158 CA GLU 127 45.625 58.248 79.362 1.00 1.00 ATOM 159 CA LEU 128 47.992 57.667 76.413 1.00 1.00 ATOM 160 CA ARG 129 45.321 57.576 73.705 1.00 1.00 ATOM 161 CA PRO 130 42.155 59.294 74.959 1.00 1.00 ATOM 162 CA HIS 131 40.588 59.446 71.453 1.00 1.00 ATOM 163 CA VAL 132 40.940 55.777 70.419 1.00 1.00 ATOM 164 CA VAL 133 38.785 52.726 71.062 1.00 1.00 ATOM 165 CA VAL 134 39.512 50.328 73.913 1.00 1.00 ATOM 166 CA THR 135 37.350 47.234 73.785 1.00 1.00 ATOM 167 CA TYR 136 36.999 44.261 76.046 1.00 1.00 ATOM 168 CA ASP 137 36.544 40.755 74.920 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 11:25:18 2002 Date: Wed, 14 Aug 2002 11:25:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 10:57:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_703812_23810 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_3 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1C3F_A # Loading PARENT structure: 1c3f (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1C3F_A ATOM 76 CA ILE 25 53.791 27.350 41.515 1.00 1.00 ATOM 77 CA ALA 26 52.485 28.309 45.000 1.00 1.00 ATOM 78 CA HIS 27 49.019 26.732 44.602 1.00 1.00 ATOM 79 CA TYR 28 50.642 23.306 43.954 1.00 1.00 ATOM 80 CA THR 29 52.923 23.664 46.964 1.00 1.00 ATOM 81 CA SER 30 49.997 24.567 49.262 1.00 1.00 ATOM 82 CA ARG 31 48.267 21.353 48.066 1.00 1.00 ATOM 83 CA GLY 32 51.378 19.352 49.137 1.00 1.00 ATOM 84 CA ALA 33 53.004 18.939 45.690 1.00 1.00 ATOM 85 CA GLN 34 56.721 19.819 45.496 1.00 1.00 ATOM 86 CA VAL 35 57.886 21.945 42.508 1.00 1.00 ATOM 87 CA HIS 36 61.343 21.524 40.971 1.00 1.00 ATOM 88 CA GLU 45 63.004 23.360 38.126 1.00 1.00 ATOM 89 CA GLY 46 64.705 21.041 35.547 1.00 1.00 ATOM 90 CA GLU 47 67.846 22.319 33.806 1.00 1.00 ATOM 91 CA VAL 48 69.145 20.856 30.578 1.00 1.00 ATOM 92 CA ILE 49 71.941 21.555 28.210 1.00 1.00 ATOM 93 CA GLY 50 71.399 23.013 24.801 1.00 1.00 ATOM 94 CA ASP 51 73.296 22.345 21.560 1.00 1.00 ATOM 95 CA ARG 52 75.393 25.399 22.550 1.00 1.00 ATOM 96 CA TRP 53 78.259 23.402 23.997 1.00 1.00 ATOM 97 CA ALA 54 77.801 24.060 27.725 1.00 1.00 ATOM 98 CA GLN 55 77.002 20.884 29.670 1.00 1.00 ATOM 99 CA LEU 56 77.030 19.904 33.335 1.00 1.00 ATOM 100 CA THR 57 80.139 17.798 32.734 1.00 1.00 ATOM 101 CA ALA 58 82.454 20.358 31.150 1.00 1.00 ATOM 102 CA ASP 59 82.925 23.089 33.724 1.00 1.00 ATOM 103 CA HIS 60 86.675 23.843 33.696 1.00 1.00 ATOM 104 CA ALA 61 86.878 24.494 37.431 1.00 1.00 ATOM 105 CA ASP 62 85.257 24.430 40.870 1.00 1.00 ATOM 106 CA GLN 63 84.577 28.167 40.704 1.00 1.00 ATOM 107 CA LEU 64 83.165 27.649 37.195 1.00 1.00 ATOM 108 CA GLY 65 81.008 24.799 38.524 1.00 1.00 ATOM 109 CA GLY 66 80.148 26.845 41.637 1.00 1.00 ATOM 110 CA TYR 67 79.253 30.063 39.873 1.00 1.00 ATOM 111 CA ARG 68 76.622 28.147 37.934 1.00 1.00 ATOM 112 CA ILE 69 75.497 26.415 41.168 1.00 1.00 ATOM 113 CA GLY 70 75.003 29.823 42.722 1.00 1.00 ATOM 114 CA GLU 71 72.749 30.806 39.825 1.00 1.00 ATOM 115 CA LEU 72 70.597 27.676 40.506 1.00 1.00 ATOM 116 CA THR 73 70.037 28.169 44.248 1.00 1.00 ATOM 117 CA ALA 74 69.427 31.910 43.692 1.00 1.00 ATOM 118 CA ALA 75 66.480 31.165 41.348 1.00 1.00 ATOM 119 CA LEU 76 65.319 28.462 43.759 1.00 1.00 ATOM 120 CA ARG 77 65.481 30.845 46.710 1.00 1.00 ATOM 121 CA ALA 78 63.957 33.618 44.572 1.00 1.00 ATOM 122 CA LEU 79 60.994 31.714 43.063 1.00 1.00 ATOM 123 CA GLY 80 60.130 29.576 46.053 1.00 1.00 ATOM 124 CA VAL 81 61.072 26.358 44.277 1.00 1.00 ATOM 125 CA SER 82 61.734 23.190 46.265 1.00 1.00 ATOM 126 CA ALA 83 64.593 22.050 44.079 1.00 1.00 ATOM 127 CA PRO 84 66.533 21.554 40.850 1.00 1.00 ATOM 128 CA ILE 85 66.620 18.557 38.466 1.00 1.00 ATOM 129 CA TYR 86 69.690 17.875 36.247 1.00 1.00 ATOM 130 CA LEU 87 69.188 16.741 32.674 1.00 1.00 ATOM 131 CA GLY 88 72.437 16.159 30.846 1.00 1.00 ATOM 132 CA GLY 89 70.807 15.741 27.496 1.00 1.00 ATOM 133 CA ALA 90 71.040 18.024 24.553 1.00 1.00 ATOM 134 CA GLY 91 74.420 19.383 25.781 1.00 1.00 ATOM 135 CA ARG 92 76.600 18.943 22.708 1.00 1.00 ATOM 136 CA TRP 93 80.063 19.031 24.254 1.00 1.00 ATOM 137 CA ARG 94 82.459 20.485 21.735 1.00 1.00 ATOM 138 CA ASP 95 79.943 22.697 19.922 1.00 1.00 ATOM 139 CA SER 96 81.062 26.325 19.679 1.00 1.00 ATOM 140 CA GLY 97 84.492 25.117 20.703 1.00 1.00 ATOM 141 CA MET 98 83.482 23.995 24.181 1.00 1.00 ATOM 142 CA ALA 99 85.483 21.310 25.895 1.00 1.00 ATOM 143 CA GLY 100 84.603 17.667 26.292 1.00 1.00 ATOM 144 CA THR 101 83.519 16.282 29.636 1.00 1.00 ATOM 145 CA ASP 102 85.961 15.778 32.471 1.00 1.00 ATOM 146 CA ARG 115 85.939 13.970 35.819 1.00 1.00 ATOM 147 CA GLN 116 85.602 17.026 38.048 1.00 1.00 ATOM 148 CA THR 117 82.900 19.309 36.695 1.00 1.00 ATOM 149 CA VAL 118 79.764 17.476 37.767 1.00 1.00 ATOM 150 CA GLY 119 81.184 16.680 41.221 1.00 1.00 ATOM 151 CA ALA 120 82.123 20.426 41.731 1.00 1.00 ATOM 152 CA LEU 121 78.649 21.617 40.682 1.00 1.00 ATOM 153 CA VAL 122 76.634 19.098 42.724 1.00 1.00 ATOM 154 CA ALA 123 78.891 19.609 45.703 1.00 1.00 ATOM 155 CA ILE 124 78.356 23.417 45.496 1.00 1.00 ATOM 156 CA ILE 125 74.635 23.368 44.778 1.00 1.00 ATOM 157 CA ARG 126 74.059 20.932 47.658 1.00 1.00 ATOM 158 CA GLU 127 76.170 23.130 49.929 1.00 1.00 ATOM 159 CA LEU 128 74.140 26.189 48.784 1.00 1.00 ATOM 160 CA ARG 129 70.835 24.413 49.535 1.00 1.00 ATOM 161 CA PRO 130 71.031 21.536 52.082 1.00 1.00 ATOM 162 CA HIS 131 67.234 21.489 52.636 1.00 1.00 ATOM 163 CA VAL 132 66.044 21.474 49.006 1.00 1.00 ATOM 164 CA VAL 133 65.601 18.624 46.523 1.00 1.00 ATOM 165 CA VAL 134 68.329 17.979 43.941 1.00 1.00 ATOM 166 CA THR 135 67.429 15.230 41.388 1.00 1.00 ATOM 167 CA TYR 136 69.070 13.644 38.345 1.00 1.00 ATOM 168 CA ASP 137 67.826 12.326 35.046 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 11:18:30 2002 Date: Wed, 14 Aug 2002 11:18:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 10:50:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_635491_23789 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_4 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1C91_A # Loading PARENT structure: 1c91 (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1C91_A ATOM 76 CA ILE 25 32.338 17.211 61.281 1.00 1.00 ATOM 77 CA ALA 26 29.649 14.649 60.432 1.00 1.00 ATOM 78 CA HIS 27 29.029 15.734 56.805 1.00 1.00 ATOM 79 CA TYR 28 32.832 15.641 56.218 1.00 1.00 ATOM 80 CA THR 29 32.768 12.036 57.515 1.00 1.00 ATOM 81 CA SER 30 29.728 10.978 55.475 1.00 1.00 ATOM 82 CA ARG 31 31.780 11.902 52.421 1.00 1.00 ATOM 83 CA GLY 32 34.635 9.682 53.496 1.00 1.00 ATOM 84 CA ALA 33 36.990 12.196 55.040 1.00 1.00 ATOM 85 CA GLN 34 38.504 11.224 58.397 1.00 1.00 ATOM 86 CA VAL 35 38.365 13.968 61.050 1.00 1.00 ATOM 87 CA HIS 36 41.130 14.286 63.649 1.00 1.00 ATOM 88 CA GLU 45 41.388 16.557 66.680 1.00 1.00 ATOM 89 CA GLY 46 44.833 18.106 66.955 1.00 1.00 ATOM 90 CA GLU 47 46.144 18.687 70.485 1.00 1.00 ATOM 91 CA VAL 48 48.591 21.596 71.001 1.00 1.00 ATOM 92 CA ILE 49 50.589 23.140 73.874 1.00 1.00 ATOM 93 CA GLY 50 49.097 26.281 75.409 1.00 1.00 ATOM 94 CA ASP 51 51.847 28.208 77.217 1.00 1.00 ATOM 95 CA ARG 52 51.189 26.612 80.618 1.00 1.00 ATOM 96 CA TRP 53 54.321 24.460 81.116 1.00 1.00 ATOM 97 CA ALA 54 52.618 21.151 80.468 1.00 1.00 ATOM 98 CA GLN 55 53.404 19.369 77.234 1.00 1.00 ATOM 99 CA LEU 56 53.235 15.814 75.899 1.00 1.00 ATOM 100 CA THR 57 56.810 15.101 77.046 1.00 1.00 ATOM 101 CA ALA 58 56.646 16.068 80.765 1.00 1.00 ATOM 102 CA ASP 59 53.983 13.907 82.451 1.00 1.00 ATOM 103 CA HIS 60 55.376 12.887 85.840 1.00 1.00 ATOM 104 CA ALA 61 54.186 9.273 85.518 1.00 1.00 ATOM 105 CA ASP 62 52.540 6.535 83.485 1.00 1.00 ATOM 106 CA GLN 63 49.429 7.023 85.589 1.00 1.00 ATOM 107 CA LEU 64 49.361 10.754 84.808 1.00 1.00 ATOM 108 CA GLY 65 49.843 10.352 81.011 1.00 1.00 ATOM 109 CA GLY 66 47.152 7.658 80.940 1.00 1.00 ATOM 110 CA TYR 67 44.526 9.878 82.597 1.00 1.00 ATOM 111 CA ARG 68 45.156 12.517 79.892 1.00 1.00 ATOM 112 CA ILE 69 45.062 9.834 77.217 1.00 1.00 ATOM 113 CA GLY 70 41.652 8.866 78.584 1.00 1.00 ATOM 114 CA GLU 71 40.445 12.443 78.280 1.00 1.00 ATOM 115 CA LEU 72 41.544 12.292 74.631 1.00 1.00 ATOM 116 CA THR 73 39.809 9.010 73.833 1.00 1.00 ATOM 117 CA ALA 74 36.706 10.171 75.745 1.00 1.00 ATOM 118 CA ALA 75 36.587 13.362 73.640 1.00 1.00 ATOM 119 CA LEU 76 37.103 11.378 70.413 1.00 1.00 ATOM 120 CA ARG 77 34.340 8.978 71.460 1.00 1.00 ATOM 121 CA ALA 78 32.082 11.762 72.712 1.00 1.00 ATOM 122 CA LEU 79 32.326 13.779 69.500 1.00 1.00 ATOM 123 CA GLY 80 32.554 10.928 67.037 1.00 1.00 ATOM 124 CA VAL 81 36.053 11.820 65.802 1.00 1.00 ATOM 125 CA SER 82 38.321 9.441 63.904 1.00 1.00 ATOM 126 CA ALA 83 41.354 10.249 65.918 1.00 1.00 ATOM 127 CA PRO 84 43.920 12.558 67.488 1.00 1.00 ATOM 128 CA ILE 85 46.941 14.521 66.206 1.00 1.00 ATOM 129 CA TYR 86 49.845 15.600 68.469 1.00 1.00 ATOM 130 CA LEU 87 51.501 18.954 67.941 1.00 1.00 ATOM 131 CA GLY 88 53.902 19.444 70.838 1.00 1.00 ATOM 132 CA GLY 89 54.350 23.122 70.246 1.00 1.00 ATOM 133 CA ALA 90 53.953 26.004 72.689 1.00 1.00 ATOM 134 CA GLY 91 53.967 23.746 75.762 1.00 1.00 ATOM 135 CA ARG 92 56.553 26.285 77.068 1.00 1.00 ATOM 136 CA TRP 93 57.933 23.466 79.445 1.00 1.00 ATOM 137 CA ARG 94 58.913 24.848 82.815 1.00 1.00 ATOM 138 CA ASP 95 56.206 27.497 83.146 1.00 1.00 ATOM 139 CA SER 96 54.234 27.314 86.428 1.00 1.00 ATOM 140 CA GLY 97 56.865 25.193 88.178 1.00 1.00 ATOM 141 CA MET 98 56.645 22.335 85.689 1.00 1.00 ATOM 142 CA ALA 99 59.372 19.910 84.696 1.00 1.00 ATOM 143 CA GLY 100 61.405 19.821 81.488 1.00 1.00 ATOM 144 CA THR 101 60.698 16.948 79.094 1.00 1.00 ATOM 145 CA ASP 102 61.601 13.473 80.376 1.00 1.00 ATOM 146 CA ARG 115 61.888 10.378 78.120 1.00 1.00 ATOM 147 CA GLN 116 58.886 8.207 79.193 1.00 1.00 ATOM 148 CA THR 117 56.063 10.723 79.244 1.00 1.00 ATOM 149 CA VAL 118 55.166 10.552 75.539 1.00 1.00 ATOM 150 CA GLY 119 55.688 6.775 75.286 1.00 1.00 ATOM 151 CA ALA 120 53.221 6.356 78.205 1.00 1.00 ATOM 152 CA LEU 121 50.741 8.820 76.637 1.00 1.00 ATOM 153 CA VAL 122 50.796 7.200 73.223 1.00 1.00 ATOM 154 CA ALA 123 50.649 3.609 74.528 1.00 1.00 ATOM 155 CA ILE 124 47.616 4.367 76.681 1.00 1.00 ATOM 156 CA ILE 125 45.810 6.257 73.903 1.00 1.00 ATOM 157 CA ARG 126 46.443 3.569 71.301 1.00 1.00 ATOM 158 CA GLU 127 45.108 0.989 73.793 1.00 1.00 ATOM 159 CA LEU 128 42.060 3.216 74.473 1.00 1.00 ATOM 160 CA ARG 129 41.145 3.551 70.808 1.00 1.00 ATOM 161 CA PRO 130 42.850 0.720 68.916 1.00 1.00 ATOM 162 CA HIS 131 40.768 1.070 65.733 1.00 1.00 ATOM 163 CA VAL 132 41.207 4.846 65.353 1.00 1.00 ATOM 164 CA VAL 133 43.835 7.320 64.047 1.00 1.00 ATOM 165 CA VAL 134 46.745 8.812 65.969 1.00 1.00 ATOM 166 CA THR 135 49.162 11.067 64.137 1.00 1.00 ATOM 167 CA TYR 136 52.289 13.071 64.904 1.00 1.00 ATOM 168 CA ASP 137 53.004 16.619 63.908 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 11:29:29 2002 Date: Wed, 14 Aug 2002 11:29:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 11:01:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_141513_23821 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_5 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 10MH_A # Loading PARENT structure: 10mh (chain: A) # Number of residues in PARENT structure: 327 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue F 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue N 139 # IMPORTANT NOTE! Not complete main chain atoms for residue G 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue G 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 60 # Total number of atoms in model: 60 # Number of atoms with 1.0 occupancy: 60 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 60 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 10MH_A ATOM 47 CA ALA 83 -24.440 20.179 89.762 1.00 1.00 ATOM 48 CA PRO 84 -26.122 22.397 87.088 1.00 1.00 ATOM 49 CA ILE 85 -23.480 21.801 84.416 1.00 1.00 ATOM 50 CA TYR 86 -23.888 18.014 84.804 1.00 1.00 ATOM 51 CA LEU 87 -27.673 18.364 84.778 1.00 1.00 ATOM 52 CA GLY 88 -27.755 20.279 81.424 1.00 1.00 ATOM 53 CA TRP 93 -24.633 18.731 79.817 1.00 1.00 ATOM 54 CA ARG 94 -24.235 15.338 81.522 1.00 1.00 ATOM 55 CA ASP 95 -20.540 15.477 82.488 1.00 1.00 ATOM 56 CA SER 96 -18.803 16.721 85.649 1.00 1.00 ATOM 57 CA GLY 97 -15.936 19.277 85.419 1.00 1.00 ATOM 58 CA MET 98 -12.589 18.770 87.152 1.00 1.00 ATOM 59 CA ALA 99 -11.723 20.920 90.115 1.00 1.00 ATOM 60 CA GLY 100 -9.147 23.419 91.293 1.00 1.00 ATOM 61 CA THR 101 -7.093 24.641 88.355 1.00 1.00 ATOM 62 CA ASP 102 -4.042 25.447 90.511 1.00 1.00 ATOM 63 CA GLN 103 -3.117 21.783 91.234 1.00 1.00 ATOM 64 CA ARG 104 -3.727 20.276 87.778 1.00 1.00 ATOM 65 CA SER 105 -0.696 19.292 85.756 1.00 1.00 ATOM 66 CA GLN 106 -0.878 21.278 82.546 1.00 1.00 ATOM 67 CA ARG 107 0.429 18.203 80.743 1.00 1.00 ATOM 68 CA ARG 108 -2.699 16.163 81.339 1.00 1.00 ATOM 69 CA PHE 109 -4.947 18.563 79.381 1.00 1.00 ATOM 70 CA VAL 110 -6.273 17.322 75.976 1.00 1.00 ATOM 71 CA ASP 111 -5.072 18.854 72.727 1.00 1.00 ATOM 72 CA ALA 112 -7.447 21.697 71.744 1.00 1.00 ATOM 73 CA ASP 113 -7.755 24.551 69.189 1.00 1.00 ATOM 74 CA PRO 114 -9.504 27.200 71.247 1.00 1.00 ATOM 98 CA ARG 115 -6.395 38.071 91.186 1.00 1.00 ATOM 99 CA GLN 116 -3.592 35.809 90.009 1.00 1.00 ATOM 100 CA THR 117 -5.526 33.106 88.175 1.00 1.00 ATOM 101 CA VAL 118 -4.314 34.661 84.875 1.00 1.00 ATOM 102 CA GLY 119 -0.802 33.148 85.196 1.00 1.00 ATOM 103 CA ALA 120 -2.357 29.641 85.320 1.00 1.00 ATOM 104 CA LEU 121 -3.839 30.234 81.832 1.00 1.00 ATOM 105 CA VAL 122 -0.386 31.416 80.737 1.00 1.00 ATOM 106 CA ALA 123 1.019 28.089 82.018 1.00 1.00 ATOM 107 CA ILE 124 -1.502 26.057 80.064 1.00 1.00 ATOM 108 CA ILE 125 -0.920 28.138 76.901 1.00 1.00 ATOM 109 CA ARG 126 2.883 27.796 76.915 1.00 1.00 ATOM 110 CA GLU 127 2.560 23.945 76.897 1.00 1.00 ATOM 111 CA LEU 128 -0.488 23.317 74.685 1.00 1.00 ATOM 112 CA ARG 129 -0.230 26.277 72.186 1.00 1.00 ATOM 113 CA PRO 130 -3.855 26.449 70.843 1.00 1.00 ATOM 114 CA HIS 131 -4.811 28.328 67.710 1.00 1.00 ATOM 115 CA VAL 132 -7.111 30.765 69.515 1.00 1.00 ATOM 116 CA VAL 133 -7.413 32.250 73.076 1.00 1.00 ATOM 117 CA VAL 134 -10.825 33.830 74.038 1.00 1.00 ATOM 118 CA THR 135 -11.127 35.719 77.383 1.00 1.00 ATOM 119 CA TYR 136 -13.737 37.946 79.105 1.00 1.00 ATOM 120 CA ASP 137 -13.622 40.297 82.171 1.00 1.00 ATOM 121 CA PRO 138 -15.330 43.431 83.611 1.00 1.00 ATOM 122 CA ASN 139 -15.116 47.047 82.484 1.00 1.00 ATOM 123 CA GLY 140 -12.791 48.438 85.196 1.00 1.00 ATOM 124 CA GLY 141 -10.156 45.887 84.099 1.00 1.00 ATOM 125 CA TYR 142 -9.310 48.076 81.061 1.00 1.00 ATOM 126 CA GLY 143 -8.400 51.046 83.308 1.00 1.00 ATOM 127 CA HIS 144 -7.292 49.528 86.613 1.00 1.00 ATOM 128 CA PRO 145 -3.878 50.595 87.913 1.00 1.00 ATOM 129 CA ASP 146 -3.823 53.342 85.310 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 16 07:06:29 2002 Date: Fri, 16 Aug 2002 07:06:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 16 06:38:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_515779_25781 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_1 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_515779_25781 6269-7633-6117 08/16/02 06:38:32 casp5@bialko.llnl.gov T0173TS007_2 PIN_495275_25777 6269-7633-6117 08/16/02 06:36:27 casp5@bialko.llnl.gov T0173TS007_4 PIN_473572_25774 6269-7633-6117 08/16/02 06:34:10 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_515779_25781 6269-7633-6117 08/16/02 06:38:32 casp5@bialko.llnl.gov T0173TS007_2 PIN_495275_25777 6269-7633-6117 08/16/02 06:36:27 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_4 PIN_473572_25774 6269-7633-6117 08/16/02 06:34:10 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1C8Y_A # Loading PARENT structure: 1c8y (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1C8Y_A ATOM 76 CA ILE 25 32.242 17.293 61.579 1.00 1.00 ATOM 77 CA ALA 26 29.636 14.684 60.660 1.00 1.00 ATOM 78 CA HIS 27 29.224 15.904 57.061 1.00 1.00 ATOM 79 CA TYR 28 33.019 15.548 56.456 1.00 1.00 ATOM 80 CA THR 29 32.883 11.972 57.817 1.00 1.00 ATOM 81 CA SER 30 29.755 11.173 55.736 1.00 1.00 ATOM 82 CA ARG 31 31.804 11.921 52.627 1.00 1.00 ATOM 83 CA GLY 32 34.669 9.672 53.659 1.00 1.00 ATOM 84 CA ALA 33 37.006 12.210 55.212 1.00 1.00 ATOM 85 CA GLN 34 38.551 11.288 58.588 1.00 1.00 ATOM 86 CA VAL 35 38.464 13.990 61.284 1.00 1.00 ATOM 87 CA HIS 36 41.163 14.265 63.950 1.00 1.00 ATOM 88 CA GLU 45 41.495 16.541 66.978 1.00 1.00 ATOM 89 CA GLY 46 44.941 18.107 67.183 1.00 1.00 ATOM 90 CA GLU 47 46.210 18.782 70.723 1.00 1.00 ATOM 91 CA VAL 48 48.798 21.626 71.229 1.00 1.00 ATOM 92 CA ILE 49 50.724 23.149 74.148 1.00 1.00 ATOM 93 CA GLY 50 49.114 26.164 75.826 1.00 1.00 ATOM 94 CA ASP 51 51.972 28.053 77.482 1.00 1.00 ATOM 95 CA ARG 52 51.185 26.568 80.940 1.00 1.00 ATOM 96 CA TRP 53 54.147 24.264 81.578 1.00 1.00 ATOM 97 CA ALA 54 52.364 20.974 81.007 1.00 1.00 ATOM 98 CA GLN 55 53.262 19.237 77.739 1.00 1.00 ATOM 99 CA LEU 56 53.118 15.703 76.314 1.00 1.00 ATOM 100 CA THR 57 56.764 15.118 77.386 1.00 1.00 ATOM 101 CA ALA 58 56.645 16.070 81.093 1.00 1.00 ATOM 102 CA ASP 59 53.937 13.988 82.745 1.00 1.00 ATOM 103 CA HIS 60 55.439 12.870 86.077 1.00 1.00 ATOM 104 CA ALA 61 54.267 9.227 85.866 1.00 1.00 ATOM 105 CA ASP 62 52.502 6.466 83.993 1.00 1.00 ATOM 106 CA GLN 63 49.302 7.133 85.918 1.00 1.00 ATOM 107 CA LEU 64 49.331 10.845 85.162 1.00 1.00 ATOM 108 CA GLY 65 49.909 10.334 81.409 1.00 1.00 ATOM 109 CA GLY 66 47.185 7.689 81.388 1.00 1.00 ATOM 110 CA TYR 67 44.585 9.982 83.011 1.00 1.00 ATOM 111 CA ARG 68 45.191 12.531 80.206 1.00 1.00 ATOM 112 CA ILE 69 44.940 9.812 77.527 1.00 1.00 ATOM 113 CA GLY 70 41.506 8.955 78.942 1.00 1.00 ATOM 114 CA GLU 71 40.411 12.555 78.592 1.00 1.00 ATOM 115 CA LEU 72 41.553 12.336 74.962 1.00 1.00 ATOM 116 CA THR 73 39.871 9.015 74.171 1.00 1.00 ATOM 117 CA ALA 74 36.736 10.164 76.023 1.00 1.00 ATOM 118 CA ALA 75 36.631 13.350 73.918 1.00 1.00 ATOM 119 CA LEU 76 37.104 11.258 70.748 1.00 1.00 ATOM 120 CA ARG 77 34.135 9.004 71.660 1.00 1.00 ATOM 121 CA ALA 78 31.897 11.785 72.923 1.00 1.00 ATOM 122 CA LEU 79 32.205 13.840 69.742 1.00 1.00 ATOM 123 CA GLY 80 32.494 10.904 67.362 1.00 1.00 ATOM 124 CA VAL 81 36.020 11.773 66.176 1.00 1.00 ATOM 125 CA SER 82 38.304 9.518 64.163 1.00 1.00 ATOM 126 CA ALA 83 41.417 10.290 66.076 1.00 1.00 ATOM 127 CA PRO 84 44.021 12.536 67.705 1.00 1.00 ATOM 128 CA ILE 85 47.018 14.459 66.436 1.00 1.00 ATOM 129 CA TYR 86 49.878 15.399 68.811 1.00 1.00 ATOM 130 CA LEU 87 51.527 18.780 68.305 1.00 1.00 ATOM 131 CA GLY 88 54.110 19.387 71.031 1.00 1.00 ATOM 132 CA GLY 89 54.560 23.115 70.678 1.00 1.00 ATOM 133 CA ALA 90 54.035 26.013 73.101 1.00 1.00 ATOM 134 CA GLY 91 53.943 23.767 76.194 1.00 1.00 ATOM 135 CA ARG 92 56.703 25.944 77.671 1.00 1.00 ATOM 136 CA TRP 93 57.882 23.200 79.978 1.00 1.00 ATOM 137 CA ARG 94 58.773 24.736 83.311 1.00 1.00 ATOM 138 CA ASP 95 56.130 27.444 83.712 1.00 1.00 ATOM 139 CA SER 96 54.134 27.222 86.916 1.00 1.00 ATOM 140 CA GLY 97 56.785 25.086 88.604 1.00 1.00 ATOM 141 CA MET 98 56.672 22.213 86.119 1.00 1.00 ATOM 142 CA ALA 99 59.407 19.828 85.055 1.00 1.00 ATOM 143 CA GLY 100 61.435 19.661 81.871 1.00 1.00 ATOM 144 CA THR 101 60.615 16.955 79.338 1.00 1.00 ATOM 145 CA ASP 102 61.564 13.495 80.592 1.00 1.00 ATOM 146 CA ARG 115 61.926 10.319 78.460 1.00 1.00 ATOM 147 CA GLN 116 58.908 8.228 79.643 1.00 1.00 ATOM 148 CA THR 117 56.042 10.709 79.564 1.00 1.00 ATOM 149 CA VAL 118 55.230 10.514 75.866 1.00 1.00 ATOM 150 CA GLY 119 55.747 6.734 75.702 1.00 1.00 ATOM 151 CA ALA 120 53.257 6.423 78.581 1.00 1.00 ATOM 152 CA LEU 121 50.768 8.815 76.992 1.00 1.00 ATOM 153 CA VAL 122 50.877 7.205 73.553 1.00 1.00 ATOM 154 CA ALA 123 50.698 3.653 74.919 1.00 1.00 ATOM 155 CA ILE 124 47.638 4.503 77.006 1.00 1.00 ATOM 156 CA ILE 125 45.790 6.356 74.224 1.00 1.00 ATOM 157 CA ARG 126 46.416 3.588 71.660 1.00 1.00 ATOM 158 CA GLU 127 45.228 1.020 74.243 1.00 1.00 ATOM 159 CA LEU 128 42.148 3.170 74.819 1.00 1.00 ATOM 160 CA ARG 129 41.232 3.479 71.143 1.00 1.00 ATOM 161 CA PRO 130 42.873 0.575 69.241 1.00 1.00 ATOM 162 CA HIS 131 40.940 1.144 66.014 1.00 1.00 ATOM 163 CA VAL 132 41.281 4.927 65.725 1.00 1.00 ATOM 164 CA VAL 133 43.924 7.343 64.374 1.00 1.00 ATOM 165 CA VAL 134 46.818 8.844 66.246 1.00 1.00 ATOM 166 CA THR 135 49.230 11.071 64.347 1.00 1.00 ATOM 167 CA TYR 136 52.292 13.115 65.076 1.00 1.00 ATOM 168 CA ASP 137 52.919 16.694 64.037 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 16 07:04:18 2002 Date: Fri, 16 Aug 2002 07:04:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 16 06:36:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_495275_25777 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_2 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_2 PIN_495275_25777 6269-7633-6117 08/16/02 06:36:27 casp5@bialko.llnl.gov T0173TS007_4 PIN_473572_25774 6269-7633-6117 08/16/02 06:34:10 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_495275_25777 6269-7633-6117 08/16/02 06:36:27 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_4 PIN_473572_25774 6269-7633-6117 08/16/02 06:34:10 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1C8X_A # Loading PARENT structure: 1c8x (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1C8X_A ATOM 76 CA ILE 25 44.298 48.654 56.541 1.00 1.00 ATOM 77 CA ALA 26 43.879 52.077 54.946 1.00 1.00 ATOM 78 CA HIS 27 41.395 50.864 52.339 1.00 1.00 ATOM 79 CA TYR 28 39.023 49.785 55.157 1.00 1.00 ATOM 80 CA THR 29 39.592 53.019 57.022 1.00 1.00 ATOM 81 CA SER 30 38.955 55.022 53.817 1.00 1.00 ATOM 82 CA ARG 31 35.559 53.265 53.712 1.00 1.00 ATOM 83 CA GLY 32 34.849 54.541 57.215 1.00 1.00 ATOM 84 CA ALA 33 35.700 51.231 58.910 1.00 1.00 ATOM 85 CA GLN 34 37.493 51.545 62.277 1.00 1.00 ATOM 86 CA VAL 35 40.363 49.039 62.681 1.00 1.00 ATOM 87 CA HIS 36 41.402 47.678 66.107 1.00 1.00 ATOM 88 CA GLU 45 44.503 45.639 67.175 1.00 1.00 ATOM 89 CA GLY 46 43.551 42.672 69.382 1.00 1.00 ATOM 90 CA GLU 47 45.926 41.268 72.042 1.00 1.00 ATOM 91 CA VAL 48 45.824 37.688 73.433 1.00 1.00 ATOM 92 CA ILE 49 47.650 35.661 76.080 1.00 1.00 ATOM 93 CA GLY 50 50.435 33.507 74.659 1.00 1.00 ATOM 94 CA ASP 51 50.996 30.742 77.206 1.00 1.00 ATOM 95 CA ARG 52 53.691 32.754 78.979 1.00 1.00 ATOM 96 CA TRP 53 52.465 33.488 82.502 1.00 1.00 ATOM 97 CA ALA 54 52.187 37.194 81.747 1.00 1.00 ATOM 98 CA GLN 55 48.588 38.281 81.313 1.00 1.00 ATOM 99 CA LEU 56 46.559 41.486 81.515 1.00 1.00 ATOM 100 CA THR 57 45.597 40.821 85.181 1.00 1.00 ATOM 101 CA ALA 58 49.176 39.986 86.025 1.00 1.00 ATOM 102 CA ASP 59 51.322 43.087 86.212 1.00 1.00 ATOM 103 CA HIS 60 53.294 43.435 89.528 1.00 1.00 ATOM 104 CA ALA 61 53.141 47.222 89.575 1.00 1.00 ATOM 105 CA ASP 62 51.496 50.242 88.002 1.00 1.00 ATOM 106 CA GLN 63 54.746 51.104 86.224 1.00 1.00 ATOM 107 CA LEU 64 54.992 47.592 84.652 1.00 1.00 ATOM 108 CA GLY 65 51.396 47.737 83.507 1.00 1.00 ATOM 109 CA GLY 66 52.004 51.303 82.290 1.00 1.00 ATOM 110 CA TYR 67 55.008 50.256 80.226 1.00 1.00 ATOM 111 CA ARG 68 52.913 47.609 78.429 1.00 1.00 ATOM 112 CA ILE 69 50.199 50.276 78.007 1.00 1.00 ATOM 113 CA GLY 70 52.893 52.338 76.244 1.00 1.00 ATOM 114 CA GLU 71 53.762 49.579 73.778 1.00 1.00 ATOM 115 CA LEU 72 50.080 49.306 72.832 1.00 1.00 ATOM 116 CA THR 73 49.648 53.047 72.572 1.00 1.00 ATOM 117 CA ALA 74 52.720 53.418 70.352 1.00 1.00 ATOM 118 CA ALA 75 51.624 50.634 68.040 1.00 1.00 ATOM 119 CA LEU 76 48.241 52.309 67.596 1.00 1.00 ATOM 120 CA ARG 77 50.000 55.577 66.625 1.00 1.00 ATOM 121 CA ALA 78 52.787 54.002 64.554 1.00 1.00 ATOM 122 CA LEU 79 50.265 51.977 62.572 1.00 1.00 ATOM 123 CA GLY 80 47.512 54.574 62.449 1.00 1.00 ATOM 124 CA VAL 81 45.067 52.172 64.111 1.00 1.00 ATOM 125 CA SER 82 41.772 53.069 65.798 1.00 1.00 ATOM 126 CA ALA 83 42.173 51.222 69.072 1.00 1.00 ATOM 127 CA PRO 84 43.037 48.130 71.093 1.00 1.00 ATOM 128 CA ILE 85 40.943 45.084 72.008 1.00 1.00 ATOM 129 CA TYR 86 41.807 42.926 75.047 1.00 1.00 ATOM 130 CA LEU 87 41.444 39.140 75.056 1.00 1.00 ATOM 131 CA GLY 88 42.372 37.596 78.418 1.00 1.00 ATOM 132 CA GLY 89 42.712 34.021 77.276 1.00 1.00 ATOM 133 CA ALA 90 45.704 31.646 77.128 1.00 1.00 ATOM 134 CA GLY 91 48.023 33.752 79.329 1.00 1.00 ATOM 135 CA ARG 92 48.619 30.782 81.673 1.00 1.00 ATOM 136 CA TRP 93 49.104 32.821 84.834 1.00 1.00 ATOM 137 CA ARG 94 51.699 31.098 86.971 1.00 1.00 ATOM 138 CA ASP 95 54.134 30.160 84.189 1.00 1.00 ATOM 139 CA SER 96 57.719 31.441 84.323 1.00 1.00 ATOM 140 CA GLY 97 57.284 32.369 87.982 1.00 1.00 ATOM 141 CA MET 98 54.499 34.878 87.321 1.00 1.00 ATOM 142 CA ALA 99 51.822 35.760 89.814 1.00 1.00 ATOM 143 CA GLY 100 48.196 34.665 89.788 1.00 1.00 ATOM 144 CA THR 101 45.712 37.338 88.769 1.00 1.00 ATOM 145 CA ASP 102 45.883 40.336 91.147 1.00 1.00 ATOM 146 CA ARG 115 43.346 43.084 91.734 1.00 1.00 ATOM 147 CA GLN 116 45.342 46.092 90.468 1.00 1.00 ATOM 148 CA THR 117 47.062 45.022 87.221 1.00 1.00 ATOM 149 CA VAL 118 44.223 45.403 84.708 1.00 1.00 ATOM 150 CA GLY 119 43.040 48.694 86.262 1.00 1.00 ATOM 151 CA ALA 120 46.559 50.028 86.002 1.00 1.00 ATOM 152 CA LEU 121 46.826 48.899 82.348 1.00 1.00 ATOM 153 CA VAL 122 43.488 50.400 81.206 1.00 1.00 ATOM 154 CA ALA 123 44.071 53.662 83.062 1.00 1.00 ATOM 155 CA ILE 124 47.506 54.012 81.547 1.00 1.00 ATOM 156 CA ILE 125 46.378 53.025 78.066 1.00 1.00 ATOM 157 CA ARG 126 43.441 55.400 78.101 1.00 1.00 ATOM 158 CA GLU 127 45.625 58.248 79.362 1.00 1.00 ATOM 159 CA LEU 128 47.992 57.667 76.413 1.00 1.00 ATOM 160 CA ARG 129 45.321 57.576 73.705 1.00 1.00 ATOM 161 CA PRO 130 42.155 59.294 74.959 1.00 1.00 ATOM 162 CA HIS 131 40.588 59.446 71.453 1.00 1.00 ATOM 163 CA VAL 132 40.940 55.777 70.419 1.00 1.00 ATOM 164 CA VAL 133 38.785 52.726 71.062 1.00 1.00 ATOM 165 CA VAL 134 39.512 50.328 73.913 1.00 1.00 ATOM 166 CA THR 135 37.350 47.234 73.785 1.00 1.00 ATOM 167 CA TYR 136 36.999 44.261 76.046 1.00 1.00 ATOM 168 CA ASP 137 36.544 40.755 74.920 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 16 07:00:29 2002 Date: Fri, 16 Aug 2002 07:00:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 16 06:32:44 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_456970_25772 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_3 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1C3F_A # Loading PARENT structure: 1c3f (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1C3F_A ATOM 76 CA ILE 25 53.791 27.350 41.515 1.00 1.00 ATOM 77 CA ALA 26 52.485 28.309 45.000 1.00 1.00 ATOM 78 CA HIS 27 49.019 26.732 44.602 1.00 1.00 ATOM 79 CA TYR 28 50.642 23.306 43.954 1.00 1.00 ATOM 80 CA THR 29 52.923 23.664 46.964 1.00 1.00 ATOM 81 CA SER 30 49.997 24.567 49.262 1.00 1.00 ATOM 82 CA ARG 31 48.267 21.353 48.066 1.00 1.00 ATOM 83 CA GLY 32 51.378 19.352 49.137 1.00 1.00 ATOM 84 CA ALA 33 53.004 18.939 45.690 1.00 1.00 ATOM 85 CA GLN 34 56.721 19.819 45.496 1.00 1.00 ATOM 86 CA VAL 35 57.886 21.945 42.508 1.00 1.00 ATOM 87 CA HIS 36 61.343 21.524 40.971 1.00 1.00 ATOM 88 CA GLU 45 63.004 23.360 38.126 1.00 1.00 ATOM 89 CA GLY 46 64.705 21.041 35.547 1.00 1.00 ATOM 90 CA GLU 47 67.846 22.319 33.806 1.00 1.00 ATOM 91 CA VAL 48 69.145 20.856 30.578 1.00 1.00 ATOM 92 CA ILE 49 71.941 21.555 28.210 1.00 1.00 ATOM 93 CA GLY 50 71.399 23.013 24.801 1.00 1.00 ATOM 94 CA ASP 51 73.296 22.345 21.560 1.00 1.00 ATOM 95 CA ARG 52 75.393 25.399 22.550 1.00 1.00 ATOM 96 CA TRP 53 78.259 23.402 23.997 1.00 1.00 ATOM 97 CA ALA 54 77.801 24.060 27.725 1.00 1.00 ATOM 98 CA GLN 55 77.002 20.884 29.670 1.00 1.00 ATOM 99 CA LEU 56 77.030 19.904 33.335 1.00 1.00 ATOM 100 CA THR 57 80.139 17.798 32.734 1.00 1.00 ATOM 101 CA ALA 58 82.454 20.358 31.150 1.00 1.00 ATOM 102 CA ASP 59 82.925 23.089 33.724 1.00 1.00 ATOM 103 CA HIS 60 86.675 23.843 33.696 1.00 1.00 ATOM 104 CA ALA 61 86.878 24.494 37.431 1.00 1.00 ATOM 105 CA ASP 62 85.257 24.430 40.870 1.00 1.00 ATOM 106 CA GLN 63 84.577 28.167 40.704 1.00 1.00 ATOM 107 CA LEU 64 83.165 27.649 37.195 1.00 1.00 ATOM 108 CA GLY 65 81.008 24.799 38.524 1.00 1.00 ATOM 109 CA GLY 66 80.148 26.845 41.637 1.00 1.00 ATOM 110 CA TYR 67 79.253 30.063 39.873 1.00 1.00 ATOM 111 CA ARG 68 76.622 28.147 37.934 1.00 1.00 ATOM 112 CA ILE 69 75.497 26.415 41.168 1.00 1.00 ATOM 113 CA GLY 70 75.003 29.823 42.722 1.00 1.00 ATOM 114 CA GLU 71 72.749 30.806 39.825 1.00 1.00 ATOM 115 CA LEU 72 70.597 27.676 40.506 1.00 1.00 ATOM 116 CA THR 73 70.037 28.169 44.248 1.00 1.00 ATOM 117 CA ALA 74 69.427 31.910 43.692 1.00 1.00 ATOM 118 CA ALA 75 66.480 31.165 41.348 1.00 1.00 ATOM 119 CA LEU 76 65.319 28.462 43.759 1.00 1.00 ATOM 120 CA ARG 77 65.481 30.845 46.710 1.00 1.00 ATOM 121 CA ALA 78 63.957 33.618 44.572 1.00 1.00 ATOM 122 CA LEU 79 60.994 31.714 43.063 1.00 1.00 ATOM 123 CA GLY 80 60.130 29.576 46.053 1.00 1.00 ATOM 124 CA VAL 81 61.072 26.358 44.277 1.00 1.00 ATOM 125 CA SER 82 61.734 23.190 46.265 1.00 1.00 ATOM 126 CA ALA 83 64.593 22.050 44.079 1.00 1.00 ATOM 127 CA PRO 84 66.533 21.554 40.850 1.00 1.00 ATOM 128 CA ILE 85 66.620 18.557 38.466 1.00 1.00 ATOM 129 CA TYR 86 69.690 17.875 36.247 1.00 1.00 ATOM 130 CA LEU 87 69.188 16.741 32.674 1.00 1.00 ATOM 131 CA GLY 88 72.437 16.159 30.846 1.00 1.00 ATOM 132 CA GLY 89 70.807 15.741 27.496 1.00 1.00 ATOM 133 CA ALA 90 71.040 18.024 24.553 1.00 1.00 ATOM 134 CA GLY 91 74.420 19.383 25.781 1.00 1.00 ATOM 135 CA ARG 92 76.600 18.943 22.708 1.00 1.00 ATOM 136 CA TRP 93 80.063 19.031 24.254 1.00 1.00 ATOM 137 CA ARG 94 82.459 20.485 21.735 1.00 1.00 ATOM 138 CA ASP 95 79.943 22.697 19.922 1.00 1.00 ATOM 139 CA SER 96 81.062 26.325 19.679 1.00 1.00 ATOM 140 CA GLY 97 84.492 25.117 20.703 1.00 1.00 ATOM 141 CA MET 98 83.482 23.995 24.181 1.00 1.00 ATOM 142 CA ALA 99 85.483 21.310 25.895 1.00 1.00 ATOM 143 CA GLY 100 84.603 17.667 26.292 1.00 1.00 ATOM 144 CA THR 101 83.519 16.282 29.636 1.00 1.00 ATOM 145 CA ASP 102 85.961 15.778 32.471 1.00 1.00 ATOM 146 CA ARG 115 85.939 13.970 35.819 1.00 1.00 ATOM 147 CA GLN 116 85.602 17.026 38.048 1.00 1.00 ATOM 148 CA THR 117 82.900 19.309 36.695 1.00 1.00 ATOM 149 CA VAL 118 79.764 17.476 37.767 1.00 1.00 ATOM 150 CA GLY 119 81.184 16.680 41.221 1.00 1.00 ATOM 151 CA ALA 120 82.123 20.426 41.731 1.00 1.00 ATOM 152 CA LEU 121 78.649 21.617 40.682 1.00 1.00 ATOM 153 CA VAL 122 76.634 19.098 42.724 1.00 1.00 ATOM 154 CA ALA 123 78.891 19.609 45.703 1.00 1.00 ATOM 155 CA ILE 124 78.356 23.417 45.496 1.00 1.00 ATOM 156 CA ILE 125 74.635 23.368 44.778 1.00 1.00 ATOM 157 CA ARG 126 74.059 20.932 47.658 1.00 1.00 ATOM 158 CA GLU 127 76.170 23.130 49.929 1.00 1.00 ATOM 159 CA LEU 128 74.140 26.189 48.784 1.00 1.00 ATOM 160 CA ARG 129 70.835 24.413 49.535 1.00 1.00 ATOM 161 CA PRO 130 71.031 21.536 52.082 1.00 1.00 ATOM 162 CA HIS 131 67.234 21.489 52.636 1.00 1.00 ATOM 163 CA VAL 132 66.044 21.474 49.006 1.00 1.00 ATOM 164 CA VAL 133 65.601 18.624 46.523 1.00 1.00 ATOM 165 CA VAL 134 68.329 17.979 43.941 1.00 1.00 ATOM 166 CA THR 135 67.429 15.230 41.388 1.00 1.00 ATOM 167 CA TYR 136 69.070 13.644 38.345 1.00 1.00 ATOM 168 CA ASP 137 67.826 12.326 35.046 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 16 07:02:07 2002 Date: Fri, 16 Aug 2002 07:02:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 16 06:34:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_473572_25774 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_4 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_4 PIN_473572_25774 6269-7633-6117 08/16/02 06:34:10 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_3 PIN_456970_25772 6269-7633-6117 08/16/02 06:32:44 casp5@bialko.llnl.gov T0173TS007_4 PIN_473572_25774 6269-7633-6117 08/16/02 06:34:10 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1C91_A # Loading PARENT structure: 1c91 (chain: A) # Number of residues in PARENT structure: 265 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue H 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue H 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue E 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue G 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue W 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue S 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue A 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue R 92 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1C91_A ATOM 76 CA ILE 25 32.338 17.211 61.281 1.00 1.00 ATOM 77 CA ALA 26 29.649 14.649 60.432 1.00 1.00 ATOM 78 CA HIS 27 29.029 15.734 56.805 1.00 1.00 ATOM 79 CA TYR 28 32.832 15.641 56.218 1.00 1.00 ATOM 80 CA THR 29 32.768 12.036 57.515 1.00 1.00 ATOM 81 CA SER 30 29.728 10.978 55.475 1.00 1.00 ATOM 82 CA ARG 31 31.780 11.902 52.421 1.00 1.00 ATOM 83 CA GLY 32 34.635 9.682 53.496 1.00 1.00 ATOM 84 CA ALA 33 36.990 12.196 55.040 1.00 1.00 ATOM 85 CA GLN 34 38.504 11.224 58.397 1.00 1.00 ATOM 86 CA VAL 35 38.365 13.968 61.050 1.00 1.00 ATOM 87 CA HIS 36 41.130 14.286 63.649 1.00 1.00 ATOM 88 CA GLU 45 41.388 16.557 66.680 1.00 1.00 ATOM 89 CA GLY 46 44.833 18.106 66.955 1.00 1.00 ATOM 90 CA GLU 47 46.144 18.687 70.485 1.00 1.00 ATOM 91 CA VAL 48 48.591 21.596 71.001 1.00 1.00 ATOM 92 CA ILE 49 50.589 23.140 73.874 1.00 1.00 ATOM 93 CA GLY 50 49.097 26.281 75.409 1.00 1.00 ATOM 94 CA ASP 51 51.847 28.208 77.217 1.00 1.00 ATOM 95 CA ARG 52 51.189 26.612 80.618 1.00 1.00 ATOM 96 CA TRP 53 54.321 24.460 81.116 1.00 1.00 ATOM 97 CA ALA 54 52.618 21.151 80.468 1.00 1.00 ATOM 98 CA GLN 55 53.404 19.369 77.234 1.00 1.00 ATOM 99 CA LEU 56 53.235 15.814 75.899 1.00 1.00 ATOM 100 CA THR 57 56.810 15.101 77.046 1.00 1.00 ATOM 101 CA ALA 58 56.646 16.068 80.765 1.00 1.00 ATOM 102 CA ASP 59 53.983 13.907 82.451 1.00 1.00 ATOM 103 CA HIS 60 55.376 12.887 85.840 1.00 1.00 ATOM 104 CA ALA 61 54.186 9.273 85.518 1.00 1.00 ATOM 105 CA ASP 62 52.540 6.535 83.485 1.00 1.00 ATOM 106 CA GLN 63 49.429 7.023 85.589 1.00 1.00 ATOM 107 CA LEU 64 49.361 10.754 84.808 1.00 1.00 ATOM 108 CA GLY 65 49.843 10.352 81.011 1.00 1.00 ATOM 109 CA GLY 66 47.152 7.658 80.940 1.00 1.00 ATOM 110 CA TYR 67 44.526 9.878 82.597 1.00 1.00 ATOM 111 CA ARG 68 45.156 12.517 79.892 1.00 1.00 ATOM 112 CA ILE 69 45.062 9.834 77.217 1.00 1.00 ATOM 113 CA GLY 70 41.652 8.866 78.584 1.00 1.00 ATOM 114 CA GLU 71 40.445 12.443 78.280 1.00 1.00 ATOM 115 CA LEU 72 41.544 12.292 74.631 1.00 1.00 ATOM 116 CA THR 73 39.809 9.010 73.833 1.00 1.00 ATOM 117 CA ALA 74 36.706 10.171 75.745 1.00 1.00 ATOM 118 CA ALA 75 36.587 13.362 73.640 1.00 1.00 ATOM 119 CA LEU 76 37.103 11.378 70.413 1.00 1.00 ATOM 120 CA ARG 77 34.340 8.978 71.460 1.00 1.00 ATOM 121 CA ALA 78 32.082 11.762 72.712 1.00 1.00 ATOM 122 CA LEU 79 32.326 13.779 69.500 1.00 1.00 ATOM 123 CA GLY 80 32.554 10.928 67.037 1.00 1.00 ATOM 124 CA VAL 81 36.053 11.820 65.802 1.00 1.00 ATOM 125 CA SER 82 38.321 9.441 63.904 1.00 1.00 ATOM 126 CA ALA 83 41.354 10.249 65.918 1.00 1.00 ATOM 127 CA PRO 84 43.920 12.558 67.488 1.00 1.00 ATOM 128 CA ILE 85 46.941 14.521 66.206 1.00 1.00 ATOM 129 CA TYR 86 49.845 15.600 68.469 1.00 1.00 ATOM 130 CA LEU 87 51.501 18.954 67.941 1.00 1.00 ATOM 131 CA GLY 88 53.902 19.444 70.838 1.00 1.00 ATOM 132 CA GLY 89 54.350 23.122 70.246 1.00 1.00 ATOM 133 CA ALA 90 53.953 26.004 72.689 1.00 1.00 ATOM 134 CA GLY 91 53.967 23.746 75.762 1.00 1.00 ATOM 135 CA ARG 92 56.553 26.285 77.068 1.00 1.00 ATOM 136 CA TRP 93 57.933 23.466 79.445 1.00 1.00 ATOM 137 CA ARG 94 58.913 24.848 82.815 1.00 1.00 ATOM 138 CA ASP 95 56.206 27.497 83.146 1.00 1.00 ATOM 139 CA SER 96 54.234 27.314 86.428 1.00 1.00 ATOM 140 CA GLY 97 56.865 25.193 88.178 1.00 1.00 ATOM 141 CA MET 98 56.645 22.335 85.689 1.00 1.00 ATOM 142 CA ALA 99 59.372 19.910 84.696 1.00 1.00 ATOM 143 CA GLY 100 61.405 19.821 81.488 1.00 1.00 ATOM 144 CA THR 101 60.698 16.948 79.094 1.00 1.00 ATOM 145 CA ASP 102 61.601 13.473 80.376 1.00 1.00 ATOM 146 CA ARG 115 61.888 10.378 78.120 1.00 1.00 ATOM 147 CA GLN 116 58.886 8.207 79.193 1.00 1.00 ATOM 148 CA THR 117 56.063 10.723 79.244 1.00 1.00 ATOM 149 CA VAL 118 55.166 10.552 75.539 1.00 1.00 ATOM 150 CA GLY 119 55.688 6.775 75.286 1.00 1.00 ATOM 151 CA ALA 120 53.221 6.356 78.205 1.00 1.00 ATOM 152 CA LEU 121 50.741 8.820 76.637 1.00 1.00 ATOM 153 CA VAL 122 50.796 7.200 73.223 1.00 1.00 ATOM 154 CA ALA 123 50.649 3.609 74.528 1.00 1.00 ATOM 155 CA ILE 124 47.616 4.367 76.681 1.00 1.00 ATOM 156 CA ILE 125 45.810 6.257 73.903 1.00 1.00 ATOM 157 CA ARG 126 46.443 3.569 71.301 1.00 1.00 ATOM 158 CA GLU 127 45.108 0.989 73.793 1.00 1.00 ATOM 159 CA LEU 128 42.060 3.216 74.473 1.00 1.00 ATOM 160 CA ARG 129 41.145 3.551 70.808 1.00 1.00 ATOM 161 CA PRO 130 42.850 0.720 68.916 1.00 1.00 ATOM 162 CA HIS 131 40.768 1.070 65.733 1.00 1.00 ATOM 163 CA VAL 132 41.207 4.846 65.353 1.00 1.00 ATOM 164 CA VAL 133 43.835 7.320 64.047 1.00 1.00 ATOM 165 CA VAL 134 46.745 8.812 65.969 1.00 1.00 ATOM 166 CA THR 135 49.162 11.067 64.137 1.00 1.00 ATOM 167 CA TYR 136 52.289 13.071 64.904 1.00 1.00 ATOM 168 CA ASP 137 53.004 16.619 63.908 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 16 06:59:08 2002 Date: Fri, 16 Aug 2002 06:59:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0173 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 16 06:30:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_436253_25766 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0173TS007_5 Current information on models submitted in prediction T0173TS007 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173TS007_5 PIN_141513_23821 6269-7633-6117 08/14/02 11:01:31 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0173 MODEL_INDEX PIN CODE DATE E-mail T0173TS007_1 PIN_641492_23790 6269-7633-6117 08/14/02 10:51:09 casp5@bialko.llnl.gov T0173TS007_2 PIN_633590_23788 6269-7633-6117 08/14/02 10:50:30 casp5@bialko.llnl.gov T0173TS007_3 PIN_703812_23810 6269-7633-6117 08/14/02 10:57:32 casp5@bialko.llnl.gov T0173TS007_4 PIN_635491_23789 6269-7633-6117 08/14/02 10:50:49 casp5@bialko.llnl.gov T0173TS007_5 PIN_436253_25766 6269-7633-6117 08/16/02 06:30:59 casp5@bialko.llnl.gov T0173SS007_1 PIN_546778_19859 6269-7633-6117 08/08/02 05:42:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 10MH_A # Loading PARENT structure: 10mh (chain: A) # Number of residues in PARENT structure: 327 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue W 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue M 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue T 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue R 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue F 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue L 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue I 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue D 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue N 139 # IMPORTANT NOTE! Not complete main chain atoms for residue G 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue G 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0173 # Total number of residues in target: 303 # Total number of residues in model: 60 # Total number of atoms in model: 60 # Number of atoms with 1.0 occupancy: 60 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 60 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0173 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 10MH_A ATOM 47 CA ALA 83 -24.440 20.179 89.762 1.00 1.00 ATOM 48 CA PRO 84 -26.122 22.397 87.088 1.00 1.00 ATOM 49 CA ILE 85 -23.480 21.801 84.416 1.00 1.00 ATOM 50 CA TYR 86 -23.888 18.014 84.804 1.00 1.00 ATOM 51 CA LEU 87 -27.673 18.364 84.778 1.00 1.00 ATOM 52 CA GLY 88 -27.755 20.279 81.424 1.00 1.00 ATOM 53 CA TRP 93 -24.633 18.731 79.817 1.00 1.00 ATOM 54 CA ARG 94 -24.235 15.338 81.522 1.00 1.00 ATOM 55 CA ASP 95 -20.540 15.477 82.488 1.00 1.00 ATOM 56 CA SER 96 -18.803 16.721 85.649 1.00 1.00 ATOM 57 CA GLY 97 -15.936 19.277 85.419 1.00 1.00 ATOM 58 CA MET 98 -12.589 18.770 87.152 1.00 1.00 ATOM 59 CA ALA 99 -11.723 20.920 90.115 1.00 1.00 ATOM 60 CA GLY 100 -9.147 23.419 91.293 1.00 1.00 ATOM 61 CA THR 101 -7.093 24.641 88.355 1.00 1.00 ATOM 62 CA ASP 102 -4.042 25.447 90.511 1.00 1.00 ATOM 63 CA GLN 103 -3.117 21.783 91.234 1.00 1.00 ATOM 64 CA ARG 104 -3.727 20.276 87.778 1.00 1.00 ATOM 65 CA SER 105 -0.696 19.292 85.756 1.00 1.00 ATOM 66 CA GLN 106 -0.878 21.278 82.546 1.00 1.00 ATOM 67 CA ARG 107 0.429 18.203 80.743 1.00 1.00 ATOM 68 CA ARG 108 -2.699 16.163 81.339 1.00 1.00 ATOM 69 CA PHE 109 -4.947 18.563 79.381 1.00 1.00 ATOM 70 CA VAL 110 -6.273 17.322 75.976 1.00 1.00 ATOM 71 CA ASP 111 -5.072 18.854 72.727 1.00 1.00 ATOM 72 CA ALA 112 -7.447 21.697 71.744 1.00 1.00 ATOM 73 CA ASP 113 -7.755 24.551 69.189 1.00 1.00 ATOM 74 CA PRO 114 -9.504 27.200 71.247 1.00 1.00 ATOM 98 CA ARG 115 -6.395 38.071 91.186 1.00 1.00 ATOM 99 CA GLN 116 -3.592 35.809 90.009 1.00 1.00 ATOM 100 CA THR 117 -5.526 33.106 88.175 1.00 1.00 ATOM 101 CA VAL 118 -4.314 34.661 84.875 1.00 1.00 ATOM 102 CA GLY 119 -0.802 33.148 85.196 1.00 1.00 ATOM 103 CA ALA 120 -2.357 29.641 85.320 1.00 1.00 ATOM 104 CA LEU 121 -3.839 30.234 81.832 1.00 1.00 ATOM 105 CA VAL 122 -0.386 31.416 80.737 1.00 1.00 ATOM 106 CA ALA 123 1.019 28.089 82.018 1.00 1.00 ATOM 107 CA ILE 124 -1.502 26.057 80.064 1.00 1.00 ATOM 108 CA ILE 125 -0.920 28.138 76.901 1.00 1.00 ATOM 109 CA ARG 126 2.883 27.796 76.915 1.00 1.00 ATOM 110 CA GLU 127 2.560 23.945 76.897 1.00 1.00 ATOM 111 CA LEU 128 -0.488 23.317 74.685 1.00 1.00 ATOM 112 CA ARG 129 -0.230 26.277 72.186 1.00 1.00 ATOM 113 CA PRO 130 -3.855 26.449 70.843 1.00 1.00 ATOM 114 CA HIS 131 -4.811 28.328 67.710 1.00 1.00 ATOM 115 CA VAL 132 -7.111 30.765 69.515 1.00 1.00 ATOM 116 CA VAL 133 -7.413 32.250 73.076 1.00 1.00 ATOM 117 CA VAL 134 -10.825 33.830 74.038 1.00 1.00 ATOM 118 CA THR 135 -11.127 35.719 77.383 1.00 1.00 ATOM 119 CA TYR 136 -13.737 37.946 79.105 1.00 1.00 ATOM 120 CA ASP 137 -13.622 40.297 82.171 1.00 1.00 ATOM 121 CA PRO 138 -15.330 43.431 83.611 1.00 1.00 ATOM 122 CA ASN 139 -15.116 47.047 82.484 1.00 1.00 ATOM 123 CA GLY 140 -12.791 48.438 85.196 1.00 1.00 ATOM 124 CA GLY 141 -10.156 45.887 84.099 1.00 1.00 ATOM 125 CA TYR 142 -9.310 48.076 81.061 1.00 1.00 ATOM 126 CA GLY 143 -8.400 51.046 83.308 1.00 1.00 ATOM 127 CA HIS 144 -7.292 49.528 86.613 1.00 1.00 ATOM 128 CA PRO 145 -3.878 50.595 87.913 1.00 1.00 ATOM 129 CA ASP 146 -3.823 53.342 85.310 1.00 1.00 TER END ################################ # # # END # # # ################################