From mailer@bialko.llnl.gov Mon Aug 19 22:13:18 2002 Date: Mon, 19 Aug 2002 22:13:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 21:45:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_584643_28466 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194SS007_1 Current information on models submitted in prediction T0194SS007 MODEL_INDEX PIN CODE DATE E-mail T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 SS PFRMAT SS TARGET T0194 AUTHOR 6269-7633-6117 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 237 # Number of residues with nonzero confidence: 237 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0194 AUTHOR 6269-7633-6117 METHOD CAFASP METHOD samt99 METHOD This prediction was derived from the following methods METHOD by averaging the corresponding probabilities: METHOD Method 0: METHOD TARGET seed-seqs-20017.a2m(1) METHOD Using neural net overrep-2500-IDaa13-5-9-7-10-5-9-11-ehl2-seeded2-stride-trained.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 9 METHOD 7 10 METHOD 5 9 METHOD 11 3 (1 EHL2 ) METHOD The input amino acid frequencies were determined from METHOD alignment /var/tmp/hmm-target99-work-12502//target-align-12502.a2m METHOD with weighted counts, using EntropyWeight(1.4 bits/column, 10) METHOD The weighting was determined by the posterior distribution METHOD after regularizing with /projects/compbio/lib/recode3.20comp. METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 35.6327 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-20017.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc50.19268/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Sat Aug 17 12:17:14 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-12502//target-align-12502.a2m METHOD METHOD guide seq name: seed-seqs-20017.a2m(1), 237 bases, BF82F1E2 checksum. METHOD ###end 0 MODEL 1 M H 0.472 A H 0.56 N H 0.573 A H 0.561 P H 0.546 K H 0.461 G C 0.648 V C 0.617 K C 0.582 F C 0.609 S C 0.626 T C 0.625 S C 0.661 Q C 0.698 T C 0.707 T C 0.67 E H 0.681 E H 0.724 I H 0.742 V H 0.763 R H 0.789 A H 0.799 K H 0.797 V H 0.796 S H 0.787 E H 0.779 L H 0.742 V H 0.717 E H 0.671 Q H 0.58 Y C 0.57 D C 0.572 L E 0.409 I E 0.656 I E 0.707 G E 0.705 I E 0.689 P E 0.588 I E 0.416 D C 0.544 K C 0.583 E C 0.57 I C 0.513 S C 0.56 A H 0.456 S H 0.49 Y H 0.595 A H 0.611 N H 0.628 W H 0.658 K H 0.659 L H 0.654 V H 0.648 E H 0.648 K H 0.626 D H 0.542 Y C 0.53 A C 0.603 S C 0.607 K C 0.513 F E 0.516 H E 0.613 V E 0.621 L E 0.541 D C 0.437 A C 0.539 R C 0.485 A H 0.464 V H 0.531 E H 0.56 M H 0.601 I H 0.62 I H 0.664 D H 0.673 W H 0.675 L H 0.676 I H 0.705 N H 0.719 D H 0.726 I H 0.748 K H 0.748 G H 0.743 W H 0.732 L H 0.709 N H 0.67 T H 0.556 N C 0.709 P C 0.69 Y C 0.682 S C 0.694 R H 0.714 E H 0.767 G H 0.782 L H 0.786 D H 0.793 R H 0.798 F H 0.79 V H 0.79 E H 0.777 Q H 0.771 Y H 0.729 R H 0.67 K H 0.588 K H 0.44 T C 0.424 A E 0.422 A E 0.543 V E 0.605 L E 0.625 F E 0.606 V E 0.536 T C 0.365 D C 0.48 T H 0.517 K H 0.573 P H 0.574 L H 0.519 V H 0.526 A H 0.512 G C 0.548 G C 0.615 R C 0.501 L C 0.413 S C 0.426 N H 0.494 L H 0.534 K H 0.589 S H 0.606 F H 0.606 I H 0.61 I H 0.614 K H 0.612 S H 0.608 L H 0.54 K C 0.542 F C 0.481 H E 0.41 L E 0.552 L E 0.62 I E 0.603 S E 0.557 F E 0.48 L E 0.39 G C 0.556 E C 0.607 N C 0.658 G C 0.621 K C 0.398 L E 0.496 Q E 0.511 F E 0.483 F E 0.435 D E 0.368 K H 0.381 A H 0.411 R C 0.418 S C 0.498 A H 0.666 H H 0.727 D H 0.759 A H 0.768 H H 0.804 K H 0.819 L H 0.817 A H 0.815 V H 0.817 K H 0.824 F H 0.818 L H 0.802 K H 0.776 K H 0.761 Q H 0.69 L H 0.585 L H 0.486 K H 0.47 H C 0.466 S C 0.469 A C 0.429 K C 0.404 L C 0.371 K E 0.365 R E 0.377 G E 0.504 A E 0.602 F E 0.623 L E 0.616 T E 0.561 T E 0.45 V C 0.525 F C 0.65 D C 0.64 E H 0.643 Q H 0.668 T H 0.688 N H 0.766 T H 0.79 N H 0.797 L H 0.8 V H 0.818 Q H 0.826 E H 0.814 F H 0.8 D H 0.779 K H 0.749 L H 0.658 L H 0.477 D C 0.571 H C 0.539 S C 0.569 I C 0.485 N C 0.391 I E 0.476 E E 0.497 Q E 0.513 S E 0.457 L E 0.407 L C 0.455 S C 0.554 P C 0.428 V E 0.474 I E 0.529 C E 0.541 T E 0.515 H E 0.432 T C 0.537 G C 0.651 L C 0.651 N C 0.61 S E 0.417 Y E 0.566 V E 0.61 I E 0.625 V E 0.626 L E 0.614 Q E 0.554 G C 0.425 E C 0.633 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 19:08:18 2002 Date: Fri, 23 Aug 2002 19:08:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 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 23 18:40:04 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_542575_33154 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS007_1 Current information on models submitted in prediction T0194TS007 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_1 PIN_542575_33154 6269-7633-6117 08/23/02 18:40:04 casp5@bialko.llnl.gov T0194TS007_5 PIN_516900_33147 6269-7633-6117 08/23/02 18:37:46 casp5@bialko.llnl.gov T0194TS007_4 PIN_494594_33141 6269-7633-6117 08/23/02 18:35:23 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_1 PIN_542575_33154 6269-7633-6117 08/23/02 18:40:04 casp5@bialko.llnl.gov T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_4 PIN_494594_33141 6269-7633-6117 08/23/02 18:35:23 casp5@bialko.llnl.gov T0194TS007_5 PIN_516900_33147 6269-7633-6117 08/23/02 18:37:46 casp5@bialko.llnl.gov T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 T0194 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1DP4_A # Loading PARENT structure: 1dp4 (chain: A) # Number of residues in PARENT structure: 425 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue I 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue L 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue K 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue H 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue N 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 214 # IMPORTANT NOTE! Not complete main chain atoms for residue S 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue S 218 # IMPORTANT NOTE! Not complete main chain atoms for residue P 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue C 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue T 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue N 228 # IMPORTANT NOTE! Not complete main chain atoms for residue S 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue I 232 # IMPORTANT NOTE! Not complete main chain atoms for residue V 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue E 237 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 126 # Total number of atoms in model: 126 # Number of atoms with 1.0 occupancy: 126 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 126 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1DP4_A ATOM 1 CA THR 112 5.812 145.774 13.284 1.00 1.00 ATOM 2 CA ASP 113 9.433 146.792 13.756 1.00 1.00 ATOM 3 CA THR 114 11.037 150.056 12.709 1.00 1.00 ATOM 4 CA LYS 115 14.656 148.981 12.610 1.00 1.00 ATOM 5 CA PRO 116 17.309 151.648 13.208 1.00 1.00 ATOM 6 CA LEU 117 20.803 150.785 11.988 1.00 1.00 ATOM 7 CA VAL 118 23.539 152.443 14.049 1.00 1.00 ATOM 8 CA ALA 119 27.052 152.886 12.645 1.00 1.00 ATOM 9 CA GLY 120 29.118 154.538 15.394 1.00 1.00 ATOM 10 CA GLY 121 32.210 153.795 17.499 1.00 1.00 ATOM 11 CA ARG 122 30.921 150.843 19.540 1.00 1.00 ATOM 12 CA LEU 123 34.104 150.213 21.542 1.00 1.00 ATOM 13 CA SER 124 36.178 153.369 21.459 1.00 1.00 ATOM 45 CA ASN 125 8.165 149.488 17.667 1.00 1.00 ATOM 46 CA LEU 126 11.729 150.809 17.311 1.00 1.00 ATOM 47 CA LYS 127 14.438 148.139 17.349 1.00 1.00 ATOM 48 CA SER 128 18.169 148.838 17.077 1.00 1.00 ATOM 49 CA PHE 129 20.868 146.923 15.212 1.00 1.00 ATOM 50 CA ILE 130 24.482 147.945 15.736 1.00 1.00 ATOM 51 CA ILE 131 27.544 148.216 13.526 1.00 1.00 ATOM 52 CA LYS 132 30.887 149.836 14.257 1.00 1.00 ATOM 53 CA SER 133 32.555 152.649 12.323 1.00 1.00 ATOM 54 CA LEU 134 35.948 151.524 13.806 1.00 1.00 ATOM 77 CA LYS 135 16.719 146.206 5.952 1.00 1.00 ATOM 78 CA PHE 136 16.763 149.232 8.300 1.00 1.00 ATOM 79 CA HIS 137 14.268 152.066 7.873 1.00 1.00 ATOM 80 CA LEU 138 16.889 154.680 8.909 1.00 1.00 ATOM 81 CA LEU 139 20.565 154.994 9.855 1.00 1.00 ATOM 82 CA ILE 140 21.929 156.695 13.002 1.00 1.00 ATOM 83 CA SER 141 25.529 157.888 12.696 1.00 1.00 ATOM 84 CA PHE 142 28.314 158.014 11.615 1.00 1.00 ATOM 85 CA LEU 143 29.654 160.901 13.686 1.00 1.00 ATOM 86 CA GLY 144 33.189 161.088 12.223 1.00 1.00 ATOM 87 CA GLU 145 33.448 163.049 8.981 1.00 1.00 ATOM 88 CA ASN 146 35.597 160.428 7.253 1.00 1.00 ATOM 89 CA GLY 147 33.115 157.688 8.185 1.00 1.00 ATOM 90 CA LYS 148 29.961 159.655 7.382 1.00 1.00 ATOM 91 CA LEU 149 31.122 160.720 3.909 1.00 1.00 ATOM 92 CA GLN 150 31.023 157.245 2.303 1.00 1.00 ATOM 93 CA PHE 151 28.059 156.024 4.377 1.00 1.00 ATOM 94 CA PHE 152 25.881 159.026 3.456 1.00 1.00 ATOM 95 CA ASP 153 26.525 158.436 -0.257 1.00 1.00 ATOM 96 CA LYS 154 25.301 154.840 0.236 1.00 1.00 ATOM 97 CA ALA 155 22.180 155.848 2.199 1.00 1.00 ATOM 128 CA ARG 156 26.332 171.412 14.948 1.00 1.00 ATOM 129 CA SER 157 27.779 171.912 11.410 1.00 1.00 ATOM 130 CA ALA 158 30.748 174.145 10.537 1.00 1.00 ATOM 131 CA HIS 159 29.032 176.487 8.076 1.00 1.00 ATOM 132 CA ASP 160 26.940 177.583 11.097 1.00 1.00 ATOM 133 CA ALA 161 30.162 178.786 12.739 1.00 1.00 ATOM 134 CA HIS 162 30.574 180.728 9.534 1.00 1.00 ATOM 135 CA LYS 163 27.176 182.369 10.200 1.00 1.00 ATOM 136 CA LEU 164 28.352 183.337 13.703 1.00 1.00 ATOM 137 CA ALA 165 31.579 184.915 12.426 1.00 1.00 ATOM 138 CA VAL 166 29.545 186.792 9.763 1.00 1.00 ATOM 139 CA LYS 167 27.318 188.216 12.532 1.00 1.00 ATOM 140 CA PHE 168 30.305 189.177 14.704 1.00 1.00 ATOM 141 CA LEU 169 31.961 191.023 11.845 1.00 1.00 ATOM 142 CA LYS 170 28.781 192.902 10.905 1.00 1.00 ATOM 143 CA LYS 171 28.242 193.911 14.532 1.00 1.00 ATOM 144 CA GLN 172 31.860 195.006 15.086 1.00 1.00 ATOM 145 CA LEU 173 32.255 196.658 11.687 1.00 1.00 ATOM 146 CA LEU 174 34.948 194.379 10.232 1.00 1.00 ATOM 198 CA LYS 175 55.834 181.537 10.172 1.00 1.00 ATOM 199 CA HIS 176 52.796 181.830 12.413 1.00 1.00 ATOM 200 CA SER 177 54.065 184.997 14.155 1.00 1.00 ATOM 201 CA ALA 178 55.073 186.441 10.777 1.00 1.00 ATOM 202 CA LYS 179 51.581 185.694 9.350 1.00 1.00 ATOM 203 CA LEU 180 49.897 187.392 12.323 1.00 1.00 ATOM 204 CA LYS 181 52.054 190.452 11.748 1.00 1.00 ATOM 205 CA ARG 182 51.505 190.676 7.995 1.00 1.00 ATOM 275 CA GLY 183 43.482 190.585 27.276 1.00 1.00 ATOM 276 CA ALA 184 43.515 190.496 23.471 1.00 1.00 ATOM 277 CA PHE 185 41.886 187.055 23.326 1.00 1.00 ATOM 278 CA LEU 186 38.301 185.826 23.174 1.00 1.00 ATOM 279 CA THR 187 36.988 182.272 23.015 1.00 1.00 ATOM 280 CA THR 188 34.236 181.012 20.731 1.00 1.00 ATOM 281 CA VAL 189 32.402 177.868 21.896 1.00 1.00 ATOM 285 CA PHE 190 22.011 174.580 26.684 1.00 1.00 ATOM 286 CA ASP 191 20.568 176.100 29.848 1.00 1.00 ATOM 287 CA GLU 192 17.019 174.733 30.023 1.00 1.00 ATOM 288 CA GLN 193 15.975 172.459 32.916 1.00 1.00 ATOM 289 CA THR 194 15.368 169.427 30.666 1.00 1.00 ATOM 290 CA ASN 195 19.019 169.444 29.656 1.00 1.00 ATOM 291 CA THR 196 20.196 169.203 33.268 1.00 1.00 ATOM 292 CA ASN 197 17.829 166.326 33.960 1.00 1.00 ATOM 293 CA LEU 198 18.917 164.632 30.712 1.00 1.00 ATOM 294 CA VAL 199 22.534 164.840 31.856 1.00 1.00 ATOM 295 CA GLN 200 21.689 163.344 35.251 1.00 1.00 ATOM 296 CA GLU 201 19.945 160.382 33.650 1.00 1.00 ATOM 297 CA PHE 202 22.603 159.989 30.942 1.00 1.00 ATOM 298 CA ASP 203 25.383 159.739 33.532 1.00 1.00 ATOM 299 CA LYS 204 23.509 157.091 35.511 1.00 1.00 ATOM 300 CA LEU 205 22.602 154.912 32.536 1.00 1.00 ATOM 301 CA LEU 206 26.068 155.234 30.974 1.00 1.00 ATOM 302 CA ASP 207 27.605 154.020 34.210 1.00 1.00 ATOM 303 CA HIS 208 25.107 151.219 34.739 1.00 1.00 ATOM 304 CA SER 209 24.879 149.720 31.249 1.00 1.00 ATOM 305 CA ILE 210 27.754 151.034 29.196 1.00 1.00 ATOM 306 CA ASN 211 30.444 150.860 31.867 1.00 1.00 ATOM 307 CA ILE 212 31.403 154.480 31.251 1.00 1.00 ATOM 308 CA GLU 213 31.748 157.678 33.223 1.00 1.00 ATOM 309 CA GLN 214 30.241 160.646 31.405 1.00 1.00 ATOM 310 CA SER 215 32.053 163.826 32.450 1.00 1.00 ATOM 311 CA LEU 216 30.553 167.285 32.185 1.00 1.00 ATOM 315 CA LEU 217 27.514 166.277 25.820 1.00 1.00 ATOM 316 CA SER 218 25.417 168.316 23.413 1.00 1.00 ATOM 317 CA PRO 219 26.255 165.598 20.831 1.00 1.00 ATOM 318 CA VAL 220 24.553 162.638 22.539 1.00 1.00 ATOM 319 CA ILE 221 21.719 164.997 23.593 1.00 1.00 ATOM 320 CA CYS 222 21.345 165.959 19.924 1.00 1.00 ATOM 321 CA THR 223 21.204 162.294 18.836 1.00 1.00 ATOM 322 CA HIS 224 18.439 161.923 21.486 1.00 1.00 ATOM 323 CA THR 225 16.482 164.912 20.176 1.00 1.00 ATOM 324 CA GLY 226 17.157 163.993 16.549 1.00 1.00 ATOM 325 CA LEU 227 15.716 160.514 17.096 1.00 1.00 ATOM 326 CA ASN 228 12.578 161.981 18.694 1.00 1.00 ATOM 327 CA SER 229 12.214 164.460 15.783 1.00 1.00 ATOM 328 CA TYR 230 12.476 161.545 13.348 1.00 1.00 ATOM 329 CA VAL 231 9.868 159.539 15.323 1.00 1.00 ATOM 330 CA ILE 232 7.567 162.540 15.152 1.00 1.00 ATOM 331 CA VAL 233 7.955 162.808 11.381 1.00 1.00 ATOM 332 CA LEU 234 7.357 159.055 10.918 1.00 1.00 ATOM 333 CA GLN 235 4.205 159.271 13.079 1.00 1.00 ATOM 334 CA GLY 236 2.921 162.178 10.989 1.00 1.00 ATOM 335 CA GLU 237 3.815 160.376 7.743 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 18:54:18 2002 Date: Fri, 23 Aug 2002 18:54:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 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 23 18:26:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_402707_33125 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS007_2 Current information on models submitted in prediction T0194TS007 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 casp5@bialko.llnl.gov T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 T0194 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 2LIV # Loading PARENT structure: 2liv (chain: ) # Number of residues in PARENT structure: 344 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue G 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue I 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue L 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue K 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue H 208 # IMPORTANT NOTE! Not complete main chain atoms for residue S 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue N 211 # IMPORTANT NOTE! Not complete main chain atoms for residue S 218 # IMPORTANT NOTE! Not complete main chain atoms for residue P 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue I 221 # IMPORTANT NOTE! Not complete main chain atoms for residue C 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue H 224 # IMPORTANT NOTE! Not complete main chain atoms for residue T 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue N 228 # IMPORTANT NOTE! Not complete main chain atoms for residue S 229 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue I 232 # IMPORTANT NOTE! Not complete main chain atoms for residue V 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 235 # IMPORTANT NOTE! Not complete main chain atoms for residue G 236 # IMPORTANT NOTE! Not complete main chain atoms for residue E 237 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 115 # Total number of atoms in model: 115 # Number of atoms with 1.0 occupancy: 115 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 115 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 2LIV ATOM 1 CA THR 112 1.208 30.767 -43.963 1.00 1.00 ATOM 2 CA ASP 113 0.215 27.601 -45.604 1.00 1.00 ATOM 3 CA THR 114 0.108 24.350 -43.581 1.00 1.00 ATOM 4 CA LYS 115 2.788 21.737 -44.194 1.00 1.00 ATOM 5 CA PRO 116 2.110 18.074 -44.032 1.00 1.00 ATOM 6 CA LEU 117 4.913 15.540 -44.483 1.00 1.00 ATOM 7 CA VAL 118 3.605 12.629 -46.599 1.00 1.00 ATOM 8 CA ALA 119 6.102 9.768 -45.963 1.00 1.00 ATOM 9 CA GLY 120 6.389 7.035 -48.576 1.00 1.00 ATOM 10 CA GLY 121 8.614 4.657 -50.507 1.00 1.00 ATOM 11 CA ARG 122 8.802 6.268 -53.953 1.00 1.00 ATOM 12 CA LEU 123 12.004 4.345 -54.196 1.00 1.00 ATOM 13 CA SER 124 12.235 0.554 -53.953 1.00 1.00 ATOM 14 CA ASN 125 10.014 -2.357 -54.994 1.00 1.00 ATOM 15 CA LEU 126 7.525 -0.873 -52.589 1.00 1.00 ATOM 16 CA LYS 127 7.565 2.229 -54.832 1.00 1.00 ATOM 17 CA SER 128 4.171 0.965 -55.953 1.00 1.00 ATOM 18 CA PHE 129 2.648 1.540 -52.519 1.00 1.00 ATOM 64 CA ILE 130 14.329 15.888 -40.806 1.00 1.00 ATOM 65 CA ILE 131 10.524 16.264 -40.424 1.00 1.00 ATOM 66 CA LYS 132 11.234 17.641 -36.967 1.00 1.00 ATOM 67 CA SER 133 14.153 19.991 -37.742 1.00 1.00 ATOM 68 CA LEU 134 12.008 21.162 -40.679 1.00 1.00 ATOM 69 CA LYS 135 9.264 22.262 -38.297 1.00 1.00 ATOM 70 CA PHE 136 6.652 19.863 -39.788 1.00 1.00 ATOM 71 CA HIS 137 4.012 18.890 -37.187 1.00 1.00 ATOM 72 CA LEU 138 1.611 16.697 -39.222 1.00 1.00 ATOM 73 CA LEU 139 2.939 13.516 -40.760 1.00 1.00 ATOM 74 CA ILE 140 0.921 11.493 -43.199 1.00 1.00 ATOM 75 CA SER 141 2.241 8.050 -43.176 1.00 1.00 ATOM 76 CA PHE 142 4.849 5.864 -42.667 1.00 1.00 ATOM 77 CA LEU 143 4.088 3.109 -45.234 1.00 1.00 ATOM 78 CA GLY 144 5.615 -0.163 -43.870 1.00 1.00 ATOM 79 CA GLU 145 5.276 -1.391 -40.262 1.00 1.00 ATOM 80 CA ASN 146 9.073 -1.704 -40.031 1.00 1.00 ATOM 81 CA GLY 147 9.743 1.938 -40.979 1.00 1.00 ATOM 82 CA LYS 148 6.955 3.521 -38.979 1.00 1.00 ATOM 83 CA LEU 149 7.458 1.910 -35.591 1.00 1.00 ATOM 84 CA GLN 150 10.903 3.521 -35.290 1.00 1.00 ATOM 85 CA PHE 151 9.803 7.071 -36.331 1.00 1.00 ATOM 86 CA PHE 152 6.652 6.559 -34.157 1.00 1.00 ATOM 87 CA ASP 153 8.865 7.092 -31.047 1.00 1.00 ATOM 88 CA LYS 154 10.640 9.981 -32.596 1.00 1.00 ATOM 89 CA ALA 155 7.282 11.621 -33.406 1.00 1.00 ATOM 90 CA ARG 156 5.767 11.053 -29.879 1.00 1.00 ATOM 134 CA ALA 158 -26.285 -12.885 -41.523 1.00 1.00 ATOM 135 CA HIS 159 -25.778 -13.651 -45.234 1.00 1.00 ATOM 136 CA ASP 160 -24.518 -17.158 -45.743 1.00 1.00 ATOM 137 CA ALA 161 -26.301 -18.819 -42.783 1.00 1.00 ATOM 138 CA HIS 162 -24.550 -22.213 -43.269 1.00 1.00 ATOM 152 CA LYS 163 -4.845 -19.217 -36.539 1.00 1.00 ATOM 153 CA LEU 164 -5.703 -15.852 -35.036 1.00 1.00 ATOM 154 CA ALA 165 -8.259 -15.277 -37.834 1.00 1.00 ATOM 155 CA VAL 166 -9.735 -18.848 -37.499 1.00 1.00 ATOM 156 CA LYS 167 -9.954 -18.230 -33.718 1.00 1.00 ATOM 157 CA PHE 168 -11.693 -14.809 -34.146 1.00 1.00 ATOM 158 CA LEU 169 -14.197 -16.164 -36.701 1.00 1.00 ATOM 159 CA LYS 170 -14.684 -19.132 -34.400 1.00 1.00 ATOM 160 CA LYS 171 -15.637 -16.839 -31.521 1.00 1.00 ATOM 161 CA GLN 172 -18.046 -14.581 -33.348 1.00 1.00 ATOM 162 CA LEU 173 -19.537 -17.840 -34.654 1.00 1.00 ATOM 163 CA LEU 174 -20.698 -18.961 -31.232 1.00 1.00 ATOM 164 CA LYS 175 -21.866 -15.589 -29.867 1.00 1.00 ATOM 165 CA HIS 176 -24.399 -15.937 -32.758 1.00 1.00 ATOM 166 CA SER 177 -25.009 -19.558 -31.764 1.00 1.00 ATOM 167 CA ALA 178 -23.601 -21.205 -34.886 1.00 1.00 ATOM 168 CA LYS 179 -22.911 -24.917 -35.313 1.00 1.00 ATOM 169 CA LEU 180 -19.150 -25.095 -35.522 1.00 1.00 ATOM 193 CA LYS 181 -21.081 -33.337 -43.847 1.00 1.00 ATOM 194 CA ARG 182 -19.725 -29.759 -43.766 1.00 1.00 ATOM 195 CA GLY 183 -21.439 -27.281 -46.148 1.00 1.00 ATOM 196 CA ALA 184 -19.262 -24.264 -45.281 1.00 1.00 ATOM 197 CA PHE 185 -15.529 -24.115 -44.494 1.00 1.00 ATOM 198 CA LEU 186 -13.647 -21.063 -43.153 1.00 1.00 ATOM 199 CA THR 187 -9.898 -21.375 -43.928 1.00 1.00 ATOM 200 CA THR 188 -7.426 -19.181 -42.078 1.00 1.00 ATOM 201 CA VAL 189 -4.223 -19.189 -44.020 1.00 1.00 ATOM 202 CA PHE 190 -2.572 -18.656 -47.327 1.00 1.00 ATOM 203 CA ASN 195 -3.206 -19.536 -50.958 1.00 1.00 ATOM 204 CA THR 196 -0.853 -22.539 -51.432 1.00 1.00 ATOM 205 CA ASN 197 -2.835 -24.634 -49.027 1.00 1.00 ATOM 206 CA LEU 198 -6.142 -22.951 -50.045 1.00 1.00 ATOM 207 CA VAL 199 -5.563 -23.931 -53.652 1.00 1.00 ATOM 208 CA GLN 200 -4.690 -27.409 -52.404 1.00 1.00 ATOM 209 CA GLU 201 -7.828 -27.956 -50.357 1.00 1.00 ATOM 210 CA PHE 202 -10.110 -26.572 -53.039 1.00 1.00 ATOM 211 CA ASP 203 -8.750 -28.737 -55.838 1.00 1.00 ATOM 212 CA LYS 204 -8.901 -31.711 -53.641 1.00 1.00 ATOM 213 CA LEU 205 -12.311 -30.874 -52.114 1.00 1.00 ATOM 214 CA LEU 206 -13.970 -30.526 -55.537 1.00 1.00 ATOM 215 CA ASP 207 -12.267 -33.628 -56.902 1.00 1.00 ATOM 216 CA HIS 208 -13.966 -35.509 -54.045 1.00 1.00 ATOM 217 CA SER 209 -17.360 -34.160 -55.156 1.00 1.00 ATOM 218 CA ILE 210 -17.615 -31.945 -52.080 1.00 1.00 ATOM 219 CA ASN 211 -19.980 -29.035 -52.646 1.00 1.00 ATOM 220 CA SER 218 -18.768 -27.161 -49.536 1.00 1.00 ATOM 221 CA PRO 219 -18.716 -23.349 -49.686 1.00 1.00 ATOM 222 CA VAL 220 -15.294 -22.007 -48.611 1.00 1.00 ATOM 223 CA ILE 221 -14.269 -18.614 -47.189 1.00 1.00 ATOM 224 CA CYS 222 -10.764 -17.300 -46.541 1.00 1.00 ATOM 225 CA THR 223 -9.113 -13.971 -45.709 1.00 1.00 ATOM 226 CA HIS 224 -7.115 -11.848 -48.091 1.00 1.00 ATOM 227 CA THR 225 -3.888 -13.808 -47.524 1.00 1.00 ATOM 228 CA GLY 226 -5.683 -16.179 -49.987 1.00 1.00 ATOM 229 CA LEU 227 -6.556 -13.722 -52.750 1.00 1.00 ATOM 242 CA ASN 228 -15.119 -20.353 -58.416 1.00 1.00 ATOM 243 CA SER 229 -17.487 -19.224 -55.699 1.00 1.00 ATOM 244 CA TYR 230 -14.847 -18.862 -52.982 1.00 1.00 ATOM 245 CA VAL 231 -15.812 -16.008 -50.681 1.00 1.00 ATOM 246 CA ILE 232 -12.889 -13.779 -49.825 1.00 1.00 ATOM 247 CA VAL 233 -12.275 -11.060 -47.246 1.00 1.00 ATOM 248 CA LEU 234 -10.500 -7.972 -48.484 1.00 1.00 ATOM 249 CA GLN 235 -10.616 -4.217 -48.611 1.00 1.00 ATOM 250 CA GLY 236 -13.627 -2.556 -50.241 1.00 1.00 ATOM 251 CA GLU 237 -13.164 -0.902 -53.618 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 19:02:07 2002 Date: Fri, 23 Aug 2002 19:02:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 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 23 18:33:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_478091_33138 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS007_3 Current information on models submitted in prediction T0194TS007 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 T0194 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1PGN # Loading PARENT structure: 1pgn (chain: ) # Number of residues in PARENT structure: 473 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue W 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue N 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue N 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue F 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue I 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue K 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 128 # Total number of atoms in model: 128 # Number of atoms with 1.0 occupancy: 128 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 128 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1PGN ATOM 32 CA ALA 66 17.652 10.432 48.859 1.00 1.00 ATOM 33 CA ARG 67 20.783 8.182 49.136 1.00 1.00 ATOM 34 CA ALA 68 21.529 9.080 52.811 1.00 1.00 ATOM 35 CA VAL 69 18.126 7.677 53.658 1.00 1.00 ATOM 36 CA GLU 70 17.815 9.186 57.171 1.00 1.00 ATOM 37 CA MET 71 17.026 12.513 55.556 1.00 1.00 ATOM 38 CA ILE 72 13.784 11.017 54.169 1.00 1.00 ATOM 39 CA ILE 73 12.622 10.626 57.773 1.00 1.00 ATOM 40 CA ASP 74 14.057 13.951 58.883 1.00 1.00 ATOM 41 CA TRP 75 12.043 15.642 56.076 1.00 1.00 ATOM 42 CA LEU 76 8.754 13.732 56.728 1.00 1.00 ATOM 43 CA ILE 77 8.818 14.559 60.357 1.00 1.00 ATOM 44 CA ASN 78 9.873 18.179 59.927 1.00 1.00 ATOM 45 CA ASP 79 9.352 20.243 56.726 1.00 1.00 ATOM 46 CA ILE 80 6.865 17.864 55.157 1.00 1.00 ATOM 47 CA LYS 81 4.643 16.922 58.129 1.00 1.00 ATOM 48 CA GLY 82 1.003 17.456 57.343 1.00 1.00 ATOM 49 CA TRP 83 1.405 16.967 53.618 1.00 1.00 ATOM 50 CA LEU 84 0.437 14.233 51.187 1.00 1.00 ATOM 51 CA ASN 85 4.125 13.278 50.484 1.00 1.00 ATOM 52 CA THR 86 5.111 9.622 50.848 1.00 1.00 ATOM 53 CA ASN 87 8.671 8.563 51.775 1.00 1.00 ATOM 54 CA PRO 88 10.719 5.698 50.338 1.00 1.00 ATOM 55 CA TYR 89 13.574 3.784 51.906 1.00 1.00 ATOM 56 CA SER 90 14.708 1.813 48.908 1.00 1.00 ATOM 57 CA ARG 91 14.809 2.718 45.240 1.00 1.00 ATOM 58 CA GLU 92 12.780 -0.488 44.621 1.00 1.00 ATOM 59 CA GLY 93 10.353 0.748 47.257 1.00 1.00 ATOM 60 CA LEU 94 10.160 4.145 45.478 1.00 1.00 ATOM 61 CA ASP 95 9.778 2.260 42.219 1.00 1.00 ATOM 62 CA ARG 96 6.828 0.110 43.460 1.00 1.00 ATOM 63 CA PHE 97 5.198 3.337 44.808 1.00 1.00 ATOM 64 CA VAL 98 4.821 4.818 41.337 1.00 1.00 ATOM 65 CA GLU 99 1.779 5.132 39.142 1.00 1.00 ATOM 66 CA GLN 100 2.649 4.307 35.472 1.00 1.00 ATOM 67 CA TYR 101 4.321 5.827 33.399 1.00 1.00 ATOM 68 CA ARG 102 6.799 5.984 36.229 1.00 1.00 ATOM 69 CA LYS 103 8.451 9.381 36.443 1.00 1.00 ATOM 70 CA LYS 104 11.235 10.218 38.849 1.00 1.00 ATOM 71 CA THR 105 13.291 13.401 39.078 1.00 1.00 ATOM 72 CA ALA 106 17.009 13.605 39.906 1.00 1.00 ATOM 73 CA ALA 107 18.087 16.756 41.797 1.00 1.00 ATOM 74 CA VAL 108 21.558 15.585 42.550 1.00 1.00 ATOM 75 CA LEU 109 24.676 17.606 41.702 1.00 1.00 ATOM 76 CA PHE 110 26.135 16.911 38.366 1.00 1.00 ATOM 77 CA VAL 111 28.463 14.436 36.861 1.00 1.00 ATOM 78 CA THR 112 29.178 10.939 38.006 1.00 1.00 ATOM 79 CA ASP 113 26.329 10.919 40.505 1.00 1.00 ATOM 80 CA THR 114 23.583 11.249 37.904 1.00 1.00 ATOM 81 CA LYS 115 24.983 8.294 35.873 1.00 1.00 ATOM 82 CA PRO 116 25.097 6.151 38.984 1.00 1.00 ATOM 83 CA LEU 117 21.522 6.893 39.874 1.00 1.00 ATOM 84 CA VAL 118 20.607 6.142 36.271 1.00 1.00 ATOM 85 CA ALA 119 22.537 2.892 36.327 1.00 1.00 ATOM 86 CA PHE 129 20.552 1.629 39.268 1.00 1.00 ATOM 87 CA ILE 130 17.152 2.810 38.033 1.00 1.00 ATOM 88 CA ILE 131 17.324 0.979 34.664 1.00 1.00 ATOM 89 CA LYS 132 17.058 -2.710 35.979 1.00 1.00 ATOM 90 CA SER 133 14.021 -1.578 37.883 1.00 1.00 ATOM 91 CA LEU 134 12.158 0.310 35.217 1.00 1.00 ATOM 92 CA LYS 135 9.831 -0.784 32.467 1.00 1.00 ATOM 93 CA PHE 136 9.619 0.527 28.902 1.00 1.00 ATOM 94 CA HIS 137 7.754 3.817 28.699 1.00 1.00 ATOM 95 CA LEU 138 9.122 5.018 32.057 1.00 1.00 ATOM 96 CA LEU 139 10.601 8.441 32.561 1.00 1.00 ATOM 97 CA ILE 140 13.707 9.758 34.379 1.00 1.00 ATOM 98 CA SER 141 14.157 13.568 34.623 1.00 1.00 ATOM 99 CA PHE 142 17.404 15.352 35.319 1.00 1.00 ATOM 100 CA ASN 146 16.896 18.694 36.984 1.00 1.00 ATOM 101 CA GLY 147 20.586 19.246 37.893 1.00 1.00 ATOM 102 CA LYS 148 22.838 21.658 35.956 1.00 1.00 ATOM 103 CA LEU 149 24.272 18.974 33.721 1.00 1.00 ATOM 104 CA GLN 150 26.655 19.484 30.775 1.00 1.00 ATOM 105 CA PHE 151 24.417 19.380 27.650 1.00 1.00 ATOM 106 CA PHE 152 26.691 16.714 26.006 1.00 1.00 ATOM 107 CA ASP 153 26.014 14.369 28.948 1.00 1.00 ATOM 108 CA LYS 154 22.267 14.937 28.608 1.00 1.00 ATOM 109 CA ALA 155 22.616 14.148 24.852 1.00 1.00 ATOM 110 CA ARG 156 24.561 10.920 25.630 1.00 1.00 ATOM 111 CA SER 157 22.195 9.723 28.406 1.00 1.00 ATOM 112 CA ALA 158 19.053 10.610 26.448 1.00 1.00 ATOM 113 CA HIS 159 20.137 8.468 23.453 1.00 1.00 ATOM 114 CA ASP 160 21.612 5.562 25.360 1.00 1.00 ATOM 115 CA ALA 161 18.369 5.310 27.360 1.00 1.00 ATOM 116 CA HIS 162 16.159 5.557 24.272 1.00 1.00 ATOM 117 CA LYS 163 17.667 2.325 22.973 1.00 1.00 ATOM 118 CA LEU 164 16.946 0.888 26.451 1.00 1.00 ATOM 119 CA ALA 165 13.308 2.055 26.050 1.00 1.00 ATOM 120 CA VAL 166 13.334 4.751 28.826 1.00 1.00 ATOM 121 CA LYS 167 12.183 8.326 28.088 1.00 1.00 ATOM 122 CA PHE 168 14.815 10.791 29.503 1.00 1.00 ATOM 123 CA LEU 169 14.461 14.558 29.931 1.00 1.00 ATOM 124 CA LYS 170 16.965 17.221 31.059 1.00 1.00 ATOM 125 CA LYS 171 15.261 20.279 32.674 1.00 1.00 ATOM 126 CA GLN 172 17.050 23.356 33.690 1.00 1.00 ATOM 127 CA LEU 173 15.614 24.672 36.960 1.00 1.00 ATOM 128 CA LEU 174 15.965 28.337 37.945 1.00 1.00 ATOM 129 CA LYS 175 14.902 30.581 40.715 1.00 1.00 ATOM 130 CA HIS 176 16.897 29.175 43.639 1.00 1.00 ATOM 131 CA SER 177 15.228 28.103 46.922 1.00 1.00 ATOM 132 CA ALA 178 12.667 30.902 46.890 1.00 1.00 ATOM 133 CA LYS 179 11.628 29.998 43.408 1.00 1.00 ATOM 134 CA LEU 180 11.695 26.208 43.894 1.00 1.00 ATOM 135 CA LYS 181 9.131 26.691 46.672 1.00 1.00 ATOM 136 CA ARG 182 6.602 28.936 44.847 1.00 1.00 ATOM 137 CA GLY 183 7.408 28.879 41.159 1.00 1.00 ATOM 138 CA ALA 184 10.663 28.180 39.356 1.00 1.00 ATOM 139 CA PHE 185 11.196 28.407 35.631 1.00 1.00 ATOM 140 CA LEU 186 11.689 25.046 34.130 1.00 1.00 ATOM 141 CA THR 187 13.327 24.533 30.790 1.00 1.00 ATOM 142 CA THR 188 12.756 20.841 29.725 1.00 1.00 ATOM 143 CA VAL 189 14.391 19.223 26.756 1.00 1.00 ATOM 144 CA PHE 190 15.200 15.643 25.704 1.00 1.00 ATOM 145 CA ASP 191 12.996 12.786 24.482 1.00 1.00 ATOM 146 CA GLU 192 9.688 14.378 23.421 1.00 1.00 ATOM 147 CA GLN 193 7.518 11.317 24.220 1.00 1.00 ATOM 148 CA THR 194 7.853 12.106 27.916 1.00 1.00 ATOM 149 CA ASN 195 6.407 15.593 27.658 1.00 1.00 ATOM 150 CA THR 196 2.590 14.856 27.818 1.00 1.00 ATOM 151 CA ASN 197 3.117 12.704 30.871 1.00 1.00 ATOM 152 CA LEU 198 4.929 15.411 32.847 1.00 1.00 ATOM 153 CA VAL 199 3.305 18.424 31.234 1.00 1.00 ATOM 154 CA GLN 200 0.582 19.148 33.809 1.00 1.00 ATOM 155 CA GLU 201 3.023 18.738 36.661 1.00 1.00 ATOM 156 CA PHE 202 5.790 20.895 35.213 1.00 1.00 ATOM 157 CA ASP 203 3.443 23.547 34.027 1.00 1.00 ATOM 158 CA LYS 204 1.461 23.486 37.249 1.00 1.00 ATOM 159 CA LEU 205 4.383 24.040 39.595 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 19:03:18 2002 Date: Fri, 23 Aug 2002 19:03:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 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 23 18:35:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_494594_33141 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS007_4 Current information on models submitted in prediction T0194TS007 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_4 PIN_494594_33141 6269-7633-6117 08/23/02 18:35:23 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_4 PIN_494594_33141 6269-7633-6117 08/23/02 18:35:23 casp5@bialko.llnl.gov T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 T0194 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1PGO # Loading PARENT structure: 1pgo (chain: ) # Number of residues in PARENT structure: 473 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue W 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue N 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue N 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue F 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue I 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue K 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 128 # Total number of atoms in model: 128 # Number of atoms with 1.0 occupancy: 128 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 128 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1PGO ATOM 32 CA ALA 66 17.919 10.443 48.939 1.00 1.00 ATOM 33 CA ARG 67 21.153 8.401 49.215 1.00 1.00 ATOM 34 CA ALA 68 21.640 9.305 52.884 1.00 1.00 ATOM 35 CA VAL 69 18.360 7.660 53.560 1.00 1.00 ATOM 36 CA GLU 70 18.088 9.164 57.132 1.00 1.00 ATOM 37 CA MET 71 17.377 12.438 55.361 1.00 1.00 ATOM 38 CA ILE 72 14.041 11.052 54.153 1.00 1.00 ATOM 39 CA ILE 73 12.861 10.607 57.773 1.00 1.00 ATOM 40 CA ASP 74 14.112 13.935 58.863 1.00 1.00 ATOM 41 CA TRP 75 12.185 15.657 56.082 1.00 1.00 ATOM 42 CA LEU 76 9.003 13.614 56.679 1.00 1.00 ATOM 43 CA ILE 77 8.882 14.451 60.388 1.00 1.00 ATOM 44 CA ASN 78 9.928 18.082 59.872 1.00 1.00 ATOM 45 CA ASP 79 9.300 20.183 56.646 1.00 1.00 ATOM 46 CA ILE 80 7.011 17.647 54.978 1.00 1.00 ATOM 47 CA LYS 81 5.048 16.699 58.139 1.00 1.00 ATOM 48 CA GLY 82 1.370 16.891 57.500 1.00 1.00 ATOM 49 CA TRP 83 1.652 16.924 53.706 1.00 1.00 ATOM 50 CA LEU 84 0.859 14.115 51.232 1.00 1.00 ATOM 51 CA ASN 85 4.528 13.255 50.367 1.00 1.00 ATOM 52 CA THR 86 5.560 9.608 50.826 1.00 1.00 ATOM 53 CA ASN 87 9.076 8.520 51.612 1.00 1.00 ATOM 54 CA PRO 88 11.001 5.520 50.376 1.00 1.00 ATOM 55 CA TYR 89 13.912 3.879 52.123 1.00 1.00 ATOM 56 CA SER 90 15.011 1.820 49.147 1.00 1.00 ATOM 57 CA ARG 91 15.337 2.748 45.531 1.00 1.00 ATOM 58 CA GLU 92 13.217 -0.346 44.872 1.00 1.00 ATOM 59 CA GLY 93 10.282 0.717 47.054 1.00 1.00 ATOM 60 CA LEU 94 10.476 4.244 45.579 1.00 1.00 ATOM 61 CA ASP 95 10.065 2.556 42.150 1.00 1.00 ATOM 62 CA ARG 96 7.146 0.534 43.668 1.00 1.00 ATOM 63 CA PHE 97 5.199 3.646 44.838 1.00 1.00 ATOM 64 CA VAL 98 5.026 5.237 41.379 1.00 1.00 ATOM 65 CA GLU 99 1.989 5.420 39.046 1.00 1.00 ATOM 66 CA GLN 100 3.004 4.277 35.522 1.00 1.00 ATOM 67 CA TYR 101 4.634 5.821 33.405 1.00 1.00 ATOM 68 CA ARG 102 6.975 6.049 36.431 1.00 1.00 ATOM 69 CA LYS 103 8.259 9.681 36.582 1.00 1.00 ATOM 70 CA LYS 104 11.305 10.327 38.773 1.00 1.00 ATOM 71 CA THR 105 13.430 13.464 39.071 1.00 1.00 ATOM 72 CA ALA 106 17.158 13.600 39.953 1.00 1.00 ATOM 73 CA ALA 107 18.123 16.777 41.836 1.00 1.00 ATOM 74 CA VAL 108 21.512 15.512 42.628 1.00 1.00 ATOM 75 CA LEU 109 25.037 17.009 42.229 1.00 1.00 ATOM 76 CA PHE 110 25.818 17.086 38.429 1.00 1.00 ATOM 77 CA VAL 111 28.484 14.713 37.082 1.00 1.00 ATOM 78 CA THR 112 29.132 11.152 38.154 1.00 1.00 ATOM 79 CA ASP 113 26.274 11.111 40.683 1.00 1.00 ATOM 80 CA THR 114 23.555 11.414 38.045 1.00 1.00 ATOM 81 CA LYS 115 25.078 8.545 36.040 1.00 1.00 ATOM 82 CA PRO 116 25.280 6.255 39.065 1.00 1.00 ATOM 83 CA LEU 117 21.618 6.753 39.691 1.00 1.00 ATOM 84 CA VAL 118 20.696 6.083 36.082 1.00 1.00 ATOM 85 CA ALA 119 22.633 2.766 36.193 1.00 1.00 ATOM 86 CA PHE 129 20.750 1.703 39.303 1.00 1.00 ATOM 87 CA ILE 130 17.390 2.945 38.028 1.00 1.00 ATOM 88 CA ILE 131 17.365 1.286 34.613 1.00 1.00 ATOM 89 CA LYS 132 17.036 -2.416 35.754 1.00 1.00 ATOM 90 CA SER 133 14.004 -1.504 37.872 1.00 1.00 ATOM 91 CA LEU 134 12.159 0.545 35.282 1.00 1.00 ATOM 92 CA LYS 135 9.813 -0.503 32.565 1.00 1.00 ATOM 93 CA PHE 136 10.074 0.590 28.944 1.00 1.00 ATOM 94 CA HIS 137 8.228 3.915 28.693 1.00 1.00 ATOM 95 CA LEU 138 9.294 5.236 32.107 1.00 1.00 ATOM 96 CA LEU 139 10.678 8.795 32.581 1.00 1.00 ATOM 97 CA ILE 140 13.809 10.118 34.356 1.00 1.00 ATOM 98 CA SER 141 14.231 13.859 34.583 1.00 1.00 ATOM 99 CA PHE 142 17.678 15.282 35.478 1.00 1.00 ATOM 100 CA ASN 146 17.135 18.678 37.002 1.00 1.00 ATOM 101 CA GLY 147 20.753 19.191 38.091 1.00 1.00 ATOM 102 CA LYS 148 22.899 21.808 36.334 1.00 1.00 ATOM 103 CA LEU 149 24.324 19.318 33.838 1.00 1.00 ATOM 104 CA GLN 150 26.628 19.565 30.868 1.00 1.00 ATOM 105 CA PHE 151 24.475 19.756 27.708 1.00 1.00 ATOM 106 CA PHE 152 26.715 17.074 26.175 1.00 1.00 ATOM 107 CA ASP 153 26.218 14.667 29.086 1.00 1.00 ATOM 108 CA LYS 154 22.513 15.181 28.657 1.00 1.00 ATOM 109 CA ALA 155 22.632 14.367 24.860 1.00 1.00 ATOM 110 CA ARG 156 24.603 11.177 25.544 1.00 1.00 ATOM 111 CA SER 157 22.218 10.074 28.282 1.00 1.00 ATOM 112 CA ALA 158 19.158 10.954 26.214 1.00 1.00 ATOM 113 CA HIS 159 20.390 8.855 23.255 1.00 1.00 ATOM 114 CA ASP 160 21.570 5.996 25.432 1.00 1.00 ATOM 115 CA ALA 161 18.254 5.679 27.246 1.00 1.00 ATOM 116 CA HIS 162 16.191 5.855 23.981 1.00 1.00 ATOM 117 CA LYS 163 17.331 2.423 22.846 1.00 1.00 ATOM 118 CA LEU 164 16.586 0.938 26.302 1.00 1.00 ATOM 119 CA ALA 165 13.057 2.357 25.905 1.00 1.00 ATOM 120 CA VAL 166 13.424 4.814 28.836 1.00 1.00 ATOM 121 CA LYS 167 12.381 8.446 28.037 1.00 1.00 ATOM 122 CA PHE 168 14.957 10.885 29.454 1.00 1.00 ATOM 123 CA LEU 169 14.479 14.625 29.932 1.00 1.00 ATOM 124 CA LYS 170 17.128 17.031 31.089 1.00 1.00 ATOM 125 CA LYS 171 15.622 20.144 32.573 1.00 1.00 ATOM 126 CA GLN 172 17.118 23.412 33.622 1.00 1.00 ATOM 127 CA LEU 173 15.723 24.680 36.937 1.00 1.00 ATOM 128 CA LEU 174 16.272 28.300 37.979 1.00 1.00 ATOM 129 CA LYS 175 15.123 30.571 40.773 1.00 1.00 ATOM 130 CA HIS 176 16.988 29.291 43.826 1.00 1.00 ATOM 131 CA SER 177 15.251 28.080 47.065 1.00 1.00 ATOM 132 CA ALA 178 12.516 30.683 46.803 1.00 1.00 ATOM 133 CA LYS 179 11.775 29.840 43.200 1.00 1.00 ATOM 134 CA LEU 180 11.952 26.080 43.965 1.00 1.00 ATOM 135 CA LYS 181 9.339 26.618 46.659 1.00 1.00 ATOM 136 CA ARG 182 6.680 28.777 44.976 1.00 1.00 ATOM 137 CA GLY 183 7.353 28.768 41.235 1.00 1.00 ATOM 138 CA ALA 184 10.719 27.982 39.618 1.00 1.00 ATOM 139 CA PHE 185 11.533 28.676 35.955 1.00 1.00 ATOM 140 CA LEU 186 11.778 25.242 34.319 1.00 1.00 ATOM 141 CA THR 187 13.427 24.441 30.949 1.00 1.00 ATOM 142 CA THR 188 12.770 20.736 29.933 1.00 1.00 ATOM 143 CA VAL 189 14.443 19.116 26.961 1.00 1.00 ATOM 144 CA PHE 190 15.422 15.635 25.889 1.00 1.00 ATOM 145 CA ASP 191 13.134 12.958 24.528 1.00 1.00 ATOM 146 CA GLU 192 9.842 14.747 23.489 1.00 1.00 ATOM 147 CA GLN 193 7.727 11.589 24.256 1.00 1.00 ATOM 148 CA THR 194 8.062 12.268 28.012 1.00 1.00 ATOM 149 CA ASN 195 6.512 15.766 27.724 1.00 1.00 ATOM 150 CA THR 196 2.685 14.890 27.815 1.00 1.00 ATOM 151 CA ASN 197 3.382 12.734 30.879 1.00 1.00 ATOM 152 CA LEU 198 5.082 15.575 32.807 1.00 1.00 ATOM 153 CA VAL 199 3.510 18.743 31.283 1.00 1.00 ATOM 154 CA GLN 200 0.873 19.116 34.017 1.00 1.00 ATOM 155 CA GLU 201 3.343 18.894 36.884 1.00 1.00 ATOM 156 CA PHE 202 6.086 21.085 35.452 1.00 1.00 ATOM 157 CA ASP 203 3.774 23.790 34.193 1.00 1.00 ATOM 158 CA LYS 204 1.702 23.542 37.365 1.00 1.00 ATOM 159 CA LEU 205 4.582 24.240 39.734 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 19:06:08 2002 Date: Fri, 23 Aug 2002 19:06:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 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 23 18:37:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_516900_33147 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS007_5 Current information on models submitted in prediction T0194TS007 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_5 PIN_516900_33147 6269-7633-6117 08/23/02 18:37:46 casp5@bialko.llnl.gov T0194TS007_4 PIN_494594_33141 6269-7633-6117 08/23/02 18:35:23 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS007_2 PIN_402707_33125 6269-7633-6117 08/23/02 18:26:13 casp5@bialko.llnl.gov T0194TS007_3 PIN_478091_33138 6269-7633-6117 08/23/02 18:33:58 casp5@bialko.llnl.gov T0194TS007_4 PIN_494594_33141 6269-7633-6117 08/23/02 18:35:23 casp5@bialko.llnl.gov T0194TS007_5 PIN_516900_33147 6269-7633-6117 08/23/02 18:37:46 casp5@bialko.llnl.gov T0194SS007_1 PIN_584643_28466 6269-7633-6117 08/19/02 21:45:06 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 T0194 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1PGP # Loading PARENT structure: 1pgp (chain: ) # Number of residues in PARENT structure: 473 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue W 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue N 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue N 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue F 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue I 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue K 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 128 # Total number of atoms in model: 128 # Number of atoms with 1.0 occupancy: 128 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 128 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1PGP ATOM 32 CA ALA 66 17.732 10.642 49.147 1.00 1.00 ATOM 33 CA ARG 67 21.138 8.804 49.045 1.00 1.00 ATOM 34 CA ALA 68 21.480 9.148 52.827 1.00 1.00 ATOM 35 CA VAL 69 18.040 7.673 53.639 1.00 1.00 ATOM 36 CA GLU 70 17.833 9.235 57.138 1.00 1.00 ATOM 37 CA MET 71 17.099 12.640 55.590 1.00 1.00 ATOM 38 CA ILE 72 13.870 11.206 54.149 1.00 1.00 ATOM 39 CA ILE 73 12.407 10.618 57.669 1.00 1.00 ATOM 40 CA ASP 74 13.749 13.940 58.840 1.00 1.00 ATOM 41 CA TRP 75 11.885 15.676 55.989 1.00 1.00 ATOM 42 CA LEU 76 8.644 13.727 56.614 1.00 1.00 ATOM 43 CA ILE 77 8.615 14.631 60.310 1.00 1.00 ATOM 44 CA ASN 78 9.435 18.285 59.731 1.00 1.00 ATOM 45 CA ASP 79 8.767 20.276 56.438 1.00 1.00 ATOM 46 CA ILE 80 6.557 17.515 55.038 1.00 1.00 ATOM 47 CA LYS 81 4.382 16.837 58.116 1.00 1.00 ATOM 48 CA GLY 82 0.705 16.993 57.266 1.00 1.00 ATOM 49 CA TRP 83 1.234 16.793 53.491 1.00 1.00 ATOM 50 CA LEU 84 0.379 14.222 50.803 1.00 1.00 ATOM 51 CA ASN 85 4.033 13.187 50.208 1.00 1.00 ATOM 52 CA THR 86 5.214 9.606 50.636 1.00 1.00 ATOM 53 CA ASN 87 8.708 8.581 51.769 1.00 1.00 ATOM 54 CA PRO 88 10.840 5.729 50.448 1.00 1.00 ATOM 55 CA TYR 89 13.649 3.852 52.055 1.00 1.00 ATOM 56 CA SER 90 14.973 2.031 49.038 1.00 1.00 ATOM 57 CA ARG 91 15.111 2.580 45.309 1.00 1.00 ATOM 58 CA GLU 92 13.109 -0.615 44.715 1.00 1.00 ATOM 59 CA GLY 93 10.426 0.637 47.150 1.00 1.00 ATOM 60 CA LEU 94 10.410 4.120 45.541 1.00 1.00 ATOM 61 CA ASP 95 9.843 2.569 42.077 1.00 1.00 ATOM 62 CA ARG 96 6.819 0.521 43.378 1.00 1.00 ATOM 63 CA PHE 97 5.180 3.617 44.894 1.00 1.00 ATOM 64 CA VAL 98 4.921 5.150 41.384 1.00 1.00 ATOM 65 CA GLU 99 2.060 5.358 38.958 1.00 1.00 ATOM 66 CA GLN 100 2.955 4.176 35.504 1.00 1.00 ATOM 67 CA TYR 101 4.612 5.778 33.532 1.00 1.00 ATOM 68 CA ARG 102 7.080 5.995 36.445 1.00 1.00 ATOM 69 CA LYS 103 8.254 9.631 36.486 1.00 1.00 ATOM 70 CA LYS 104 11.368 10.340 38.603 1.00 1.00 ATOM 71 CA THR 105 13.349 13.518 38.985 1.00 1.00 ATOM 72 CA ALA 106 17.032 13.515 39.991 1.00 1.00 ATOM 73 CA ALA 107 18.389 16.574 41.764 1.00 1.00 ATOM 74 CA VAL 108 21.863 15.345 42.739 1.00 1.00 ATOM 75 CA LEU 109 25.329 16.906 42.061 1.00 1.00 ATOM 76 CA PHE 110 26.039 16.839 38.356 1.00 1.00 ATOM 77 CA VAL 111 28.561 14.419 36.906 1.00 1.00 ATOM 78 CA THR 112 29.061 10.895 38.066 1.00 1.00 ATOM 79 CA ASP 113 26.203 10.816 40.635 1.00 1.00 ATOM 80 CA THR 114 23.544 11.262 37.873 1.00 1.00 ATOM 81 CA LYS 115 25.035 8.306 35.976 1.00 1.00 ATOM 82 CA PRO 116 25.348 6.192 39.093 1.00 1.00 ATOM 83 CA LEU 117 21.646 6.779 39.824 1.00 1.00 ATOM 84 CA VAL 118 20.672 6.199 36.166 1.00 1.00 ATOM 85 CA ALA 119 22.584 2.878 36.210 1.00 1.00 ATOM 86 CA PHE 129 20.772 1.718 39.368 1.00 1.00 ATOM 87 CA ILE 130 17.259 2.712 38.144 1.00 1.00 ATOM 88 CA ILE 131 17.289 1.093 34.685 1.00 1.00 ATOM 89 CA LYS 132 16.991 -2.640 35.806 1.00 1.00 ATOM 90 CA SER 133 14.074 -1.419 37.961 1.00 1.00 ATOM 91 CA LEU 134 12.140 0.408 35.247 1.00 1.00 ATOM 92 CA LYS 135 9.596 -0.489 32.602 1.00 1.00 ATOM 93 CA PHE 136 9.765 0.519 28.994 1.00 1.00 ATOM 94 CA HIS 137 8.263 3.986 28.628 1.00 1.00 ATOM 95 CA LEU 138 9.322 5.263 32.109 1.00 1.00 ATOM 96 CA LEU 139 10.730 8.775 32.512 1.00 1.00 ATOM 97 CA ILE 140 13.904 9.911 34.352 1.00 1.00 ATOM 98 CA SER 141 14.304 13.696 34.572 1.00 1.00 ATOM 99 CA PHE 142 17.669 15.299 35.514 1.00 1.00 ATOM 100 CA ASN 146 17.128 18.719 37.056 1.00 1.00 ATOM 101 CA GLY 147 20.743 19.393 38.090 1.00 1.00 ATOM 102 CA LYS 148 23.054 21.798 36.251 1.00 1.00 ATOM 103 CA LEU 149 24.444 19.170 33.944 1.00 1.00 ATOM 104 CA GLN 150 26.291 20.200 30.830 1.00 1.00 ATOM 105 CA PHE 151 24.409 19.659 27.671 1.00 1.00 ATOM 106 CA PHE 152 26.673 17.038 26.067 1.00 1.00 ATOM 107 CA ASP 153 26.136 14.521 28.922 1.00 1.00 ATOM 108 CA LYS 154 22.419 15.025 28.585 1.00 1.00 ATOM 109 CA ALA 155 22.432 14.041 24.869 1.00 1.00 ATOM 110 CA ARG 156 24.612 11.010 25.598 1.00 1.00 ATOM 111 CA SER 157 22.310 9.843 28.326 1.00 1.00 ATOM 112 CA ALA 158 19.216 10.618 26.241 1.00 1.00 ATOM 113 CA HIS 159 20.364 8.467 23.242 1.00 1.00 ATOM 114 CA ASP 160 21.528 5.579 25.473 1.00 1.00 ATOM 115 CA ALA 161 18.351 5.504 27.574 1.00 1.00 ATOM 116 CA HIS 162 16.174 5.983 24.417 1.00 1.00 ATOM 117 CA LYS 163 17.247 2.680 22.940 1.00 1.00 ATOM 118 CA LEU 164 16.836 0.952 26.323 1.00 1.00 ATOM 119 CA ALA 165 13.177 2.149 26.118 1.00 1.00 ATOM 120 CA VAL 166 13.581 4.672 29.016 1.00 1.00 ATOM 121 CA LYS 167 12.538 8.282 28.179 1.00 1.00 ATOM 122 CA PHE 168 14.973 10.969 29.371 1.00 1.00 ATOM 123 CA LEU 169 14.668 14.679 29.895 1.00 1.00 ATOM 124 CA LYS 170 17.186 17.103 31.247 1.00 1.00 ATOM 125 CA LYS 171 15.500 20.145 32.681 1.00 1.00 ATOM 126 CA GLN 172 17.197 23.311 33.846 1.00 1.00 ATOM 127 CA LEU 173 15.750 24.817 37.040 1.00 1.00 ATOM 128 CA LEU 174 16.244 28.472 37.801 1.00 1.00 ATOM 129 CA LYS 175 14.989 30.507 40.735 1.00 1.00 ATOM 130 CA HIS 176 16.880 29.176 43.766 1.00 1.00 ATOM 131 CA SER 177 15.368 28.044 47.097 1.00 1.00 ATOM 132 CA ALA 178 12.125 30.051 47.378 1.00 1.00 ATOM 133 CA LYS 179 11.885 30.297 43.621 1.00 1.00 ATOM 134 CA LEU 180 11.685 26.458 43.652 1.00 1.00 ATOM 135 CA LYS 181 9.235 26.655 46.546 1.00 1.00 ATOM 136 CA ARG 182 6.565 28.924 45.036 1.00 1.00 ATOM 137 CA GLY 183 7.212 29.030 41.294 1.00 1.00 ATOM 138 CA ALA 184 10.484 28.238 39.425 1.00 1.00 ATOM 139 CA PHE 185 11.501 28.669 35.775 1.00 1.00 ATOM 140 CA LEU 186 11.786 25.249 34.261 1.00 1.00 ATOM 141 CA THR 187 13.455 24.513 30.943 1.00 1.00 ATOM 142 CA THR 188 12.858 20.812 29.905 1.00 1.00 ATOM 143 CA VAL 189 14.438 19.135 26.911 1.00 1.00 ATOM 144 CA PHE 190 15.209 15.544 25.870 1.00 1.00 ATOM 145 CA ASP 191 12.902 12.857 24.368 1.00 1.00 ATOM 146 CA GLU 192 9.490 14.422 23.550 1.00 1.00 ATOM 147 CA GLN 193 7.456 11.209 24.423 1.00 1.00 ATOM 148 CA THR 194 8.106 12.158 28.050 1.00 1.00 ATOM 149 CA ASN 195 6.681 15.674 27.796 1.00 1.00 ATOM 150 CA THR 196 2.847 15.006 27.866 1.00 1.00 ATOM 151 CA ASN 197 3.379 12.934 31.029 1.00 1.00 ATOM 152 CA LEU 198 5.293 15.600 32.977 1.00 1.00 ATOM 153 CA VAL 199 3.648 18.698 31.386 1.00 1.00 ATOM 154 CA GLN 200 0.924 19.061 34.042 1.00 1.00 ATOM 155 CA GLU 201 3.370 18.876 36.951 1.00 1.00 ATOM 156 CA PHE 202 6.047 21.062 35.383 1.00 1.00 ATOM 157 CA ASP 203 3.810 23.813 34.116 1.00 1.00 ATOM 158 CA LYS 204 1.784 23.701 37.310 1.00 1.00 ATOM 159 CA LEU 205 4.667 24.290 39.757 1.00 1.00 TER END 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