From mailer@bialko.llnl.gov Fri Jul 12 10:46:39 2002 Date: Fri, 12 Jul 2002 10:46:33 -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 Fri Jul 12 10:19:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_311202_12093 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152SS007_1 Current information on models submitted in prediction T0152SS007 MODEL_INDEX PIN CODE DATE E-mail T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 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: 210 # Number of residues with nonzero confidence: 210 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0152 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-23541.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-3075//target-align-3075.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 33.0897 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-23541.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc53.9708/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: Thu Jul 11 13:33:38 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-3075//target-align-3075.a2m METHOD METHOD guide seq name: seed-seqs-23541.a2m(1), 210 bases, 1B51D059 checksum. METHOD ###end 0 MODEL 1 M C 0.659 T C 0.524 K C 0.499 P C 0.538 T C 0.594 S C 0.636 A C 0.521 G C 0.432 Q H 0.443 A C 0.423 D C 0.46 D H 0.458 A H 0.495 L H 0.482 V H 0.468 R C 0.458 L C 0.475 A C 0.463 R H 0.461 E H 0.45 R H 0.44 F H 0.407 D C 0.406 L C 0.472 P C 0.524 D C 0.532 Q C 0.478 V C 0.383 R C 0.396 R C 0.486 L C 0.58 A C 0.627 R C 0.677 P C 0.75 P C 0.719 V C 0.639 P C 0.633 S C 0.605 L C 0.572 E C 0.621 P C 0.575 P C 0.409 Y E 0.455 G E 0.507 L E 0.514 R E 0.446 V E 0.382 A C 0.45 Q C 0.561 L H 0.637 T H 0.658 D H 0.655 A H 0.718 E H 0.718 M H 0.714 L H 0.712 A H 0.7 E H 0.688 W H 0.654 M H 0.644 N H 0.56 R C 0.476 P H 0.468 H H 0.535 L H 0.564 A H 0.556 A H 0.561 A H 0.531 W H 0.486 E C 0.457 Y C 0.545 D C 0.601 W C 0.621 P C 0.615 A H 0.683 S H 0.711 R H 0.737 W H 0.736 R H 0.753 Q H 0.742 H H 0.73 L H 0.708 N H 0.708 A H 0.698 Q H 0.655 L H 0.593 E H 0.471 G C 0.607 T C 0.648 Y C 0.604 S C 0.489 L E 0.422 P E 0.5 L E 0.607 I E 0.64 G E 0.603 S E 0.528 W C 0.431 H C 0.655 G C 0.709 T C 0.651 D C 0.515 G E 0.429 G E 0.491 Y E 0.548 L E 0.556 E E 0.554 L E 0.551 Y E 0.512 W E 0.409 A C 0.433 A C 0.505 K C 0.565 D C 0.61 L C 0.558 I C 0.517 S C 0.543 H C 0.541 Y C 0.473 Y C 0.498 D C 0.573 A C 0.617 D C 0.697 P C 0.662 Y C 0.65 D C 0.586 L C 0.514 G C 0.439 L E 0.467 H E 0.542 A E 0.646 A E 0.656 I E 0.61 A E 0.432 D C 0.602 L C 0.51 S C 0.448 K H 0.428 V C 0.467 N C 0.561 R C 0.537 G H 0.466 F H 0.588 G H 0.623 P H 0.686 L H 0.715 L H 0.723 L H 0.73 P H 0.742 R H 0.74 I H 0.727 V H 0.716 A H 0.709 S H 0.682 V H 0.643 F H 0.525 A C 0.581 N C 0.687 E C 0.751 P C 0.693 R C 0.624 C C 0.552 R C 0.415 R E 0.574 I E 0.644 M E 0.647 F E 0.557 D C 0.628 P C 0.687 D C 0.675 H C 0.46 R H 0.488 N H 0.557 T H 0.689 A H 0.706 T H 0.708 R H 0.71 R H 0.713 L H 0.71 C H 0.704 E H 0.676 W H 0.648 A H 0.536 G C 0.655 C C 0.593 K C 0.418 F C 0.41 L C 0.432 G C 0.439 E E 0.383 H E 0.421 D C 0.427 T C 0.581 T C 0.655 N C 0.629 R C 0.554 R C 0.394 M E 0.441 A E 0.503 L E 0.531 Y E 0.526 A E 0.498 L E 0.415 E C 0.461 A H 0.467 P H 0.52 T H 0.608 T H 0.498 A C 0.517 A C 0.68 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:15:19 2002 Date: Thu, 18 Jul 2002 18:15:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 Thu Jul 18 17:48:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_598861_12534 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS007_2 Current information on models submitted in prediction T0152TS007 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 casp5@bialko.llnl.gov T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1I21_M # Loading PARENT structure: 1i21 (chain: M) # Number of residues in PARENT structure: 151 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0152 # Total number of residues in target: 210 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0152 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1I21_M ATOM 103 CA ASP 135 63.109 43.628 60.776 1.00 1.00 ATOM 104 CA LEU 136 62.944 46.493 58.272 1.00 1.00 ATOM 105 CA SER 137 66.614 47.331 58.540 1.00 1.00 ATOM 106 CA LYS 138 67.210 43.736 57.413 1.00 1.00 ATOM 107 CA VAL 139 64.982 42.931 54.416 1.00 1.00 ATOM 108 CA ASN 140 66.131 41.688 51.030 1.00 1.00 ATOM 109 CA ARG 141 68.942 39.770 52.766 1.00 1.00 ATOM 110 CA GLY 142 67.182 36.380 52.766 1.00 1.00 ATOM 111 CA PHE 143 66.776 36.099 56.524 1.00 1.00 ATOM 112 CA GLY 144 63.107 35.127 56.178 1.00 1.00 ATOM 113 CA PRO 145 64.177 32.002 54.290 1.00 1.00 ATOM 114 CA LEU 146 66.945 31.077 56.759 1.00 1.00 ATOM 115 CA LEU 147 64.448 31.477 59.503 1.00 1.00 ATOM 116 CA LEU 148 61.706 29.327 57.932 1.00 1.00 ATOM 117 CA PRO 149 64.328 26.679 57.246 1.00 1.00 ATOM 118 CA ARG 150 65.362 26.630 60.920 1.00 1.00 ATOM 119 CA ILE 151 61.777 26.439 62.200 1.00 1.00 ATOM 120 CA VAL 152 61.061 23.584 59.748 1.00 1.00 ATOM 121 CA ALA 153 64.157 21.697 60.960 1.00 1.00 ATOM 122 CA SER 154 63.226 22.063 64.620 1.00 1.00 ATOM 123 CA VAL 155 59.675 20.982 63.858 1.00 1.00 ATOM 124 CA PHE 156 60.758 17.864 62.009 1.00 1.00 ATOM 125 CA GLU 159 63.547 16.898 64.453 1.00 1.00 ATOM 126 CA PRO 160 60.926 16.960 67.194 1.00 1.00 ATOM 127 CA ARG 161 58.970 14.391 65.204 1.00 1.00 ATOM 128 CA CYS 162 56.242 16.374 63.390 1.00 1.00 ATOM 129 CA ARG 163 54.603 14.524 60.525 1.00 1.00 ATOM 130 CA ARG 164 53.830 17.963 59.003 1.00 1.00 ATOM 131 CA ILE 165 54.153 21.683 59.671 1.00 1.00 ATOM 132 CA MET 166 51.662 24.222 58.607 1.00 1.00 ATOM 133 CA PHE 167 51.270 27.964 58.548 1.00 1.00 ATOM 134 CA ASP 168 48.877 30.644 57.315 1.00 1.00 ATOM 135 CA PRO 169 50.047 33.394 54.944 1.00 1.00 ATOM 136 CA ASP 170 48.608 36.117 52.786 1.00 1.00 ATOM 137 CA HIS 171 48.059 35.383 49.088 1.00 1.00 ATOM 138 CA ARG 172 51.055 37.593 48.281 1.00 1.00 ATOM 139 CA ASN 173 53.491 35.494 50.277 1.00 1.00 ATOM 140 CA THR 174 52.601 32.175 48.638 1.00 1.00 ATOM 141 CA ALA 175 55.429 32.001 46.071 1.00 1.00 ATOM 142 CA LEU 179 57.783 32.859 48.846 1.00 1.00 ATOM 143 CA CYS 180 56.511 29.902 50.819 1.00 1.00 ATOM 144 CA GLU 181 56.478 27.530 47.894 1.00 1.00 ATOM 145 CA TRP 182 60.116 28.466 47.412 1.00 1.00 ATOM 146 CA ALA 183 60.709 27.210 51.002 1.00 1.00 ATOM 147 CA GLY 184 59.152 23.837 50.316 1.00 1.00 ATOM 148 CA CYS 185 55.538 24.580 51.270 1.00 1.00 ATOM 149 CA LYS 186 52.473 23.741 49.181 1.00 1.00 ATOM 150 CA PHE 187 48.911 25.023 49.246 1.00 1.00 ATOM 151 CA LEU 188 46.916 23.034 51.747 1.00 1.00 ATOM 152 CA GLY 189 43.753 24.999 52.247 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:27:39 2002 Date: Thu, 18 Jul 2002 18:27:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 Thu Jul 18 17:59:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_709111_12584 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS007_5 Current information on models submitted in prediction T0152TS007 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1I21_Y # Loading PARENT structure: 1i21 (chain: Y) # Number of residues in PARENT structure: 152 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0152 # Total number of residues in target: 210 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0152 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1I21_Y ATOM 103 CA ASP 135 -3.394 55.751 87.975 1.00 1.00 ATOM 104 CA LEU 136 -5.404 55.937 91.234 1.00 1.00 ATOM 105 CA SER 137 -5.358 52.234 91.985 1.00 1.00 ATOM 106 CA LYS 138 -1.581 52.730 92.100 1.00 1.00 ATOM 107 CA VAL 139 -1.009 56.010 93.782 1.00 1.00 ATOM 108 CA ASN 140 1.193 56.792 96.632 1.00 1.00 ATOM 109 CA ARG 141 3.299 53.698 96.011 1.00 1.00 ATOM 110 CA GLY 142 6.577 54.059 94.140 1.00 1.00 ATOM 111 CA PHE 143 5.824 54.937 90.512 1.00 1.00 ATOM 112 CA GLY 144 5.758 58.644 89.783 1.00 1.00 ATOM 113 CA PRO 145 9.405 59.039 90.630 1.00 1.00 ATOM 114 CA LEU 146 10.204 55.943 88.612 1.00 1.00 ATOM 115 CA LEU 147 8.316 57.262 85.638 1.00 1.00 ATOM 116 CA LEU 148 10.202 60.506 85.893 1.00 1.00 ATOM 117 CA PRO 149 13.625 59.123 85.836 1.00 1.00 ATOM 118 CA ARG 150 12.837 56.682 83.038 1.00 1.00 ATOM 119 CA ILE 151 11.759 59.676 80.860 1.00 1.00 ATOM 120 CA VAL 152 14.859 61.606 81.928 1.00 1.00 ATOM 121 CA ALA 153 16.952 58.626 80.785 1.00 1.00 ATOM 122 CA SER 154 15.261 58.524 77.341 1.00 1.00 ATOM 123 CA VAL 155 15.982 62.246 76.901 1.00 1.00 ATOM 124 CA PHE 156 19.652 62.319 77.961 1.00 1.00 ATOM 125 CA GLU 159 20.214 59.175 75.921 1.00 1.00 ATOM 126 CA PRO 160 18.964 61.108 72.890 1.00 1.00 ATOM 127 CA ARG 161 21.466 63.880 73.566 1.00 1.00 ATOM 128 CA CYS 162 19.399 66.499 75.341 1.00 1.00 ATOM 129 CA ARG 163 21.755 68.785 77.227 1.00 1.00 ATOM 130 CA ARG 164 18.747 69.864 79.265 1.00 1.00 ATOM 131 CA ILE 165 15.276 68.548 80.262 1.00 1.00 ATOM 132 CA MET 166 12.452 70.602 81.676 1.00 1.00 ATOM 133 CA PHE 167 8.914 70.312 83.052 1.00 1.00 ATOM 134 CA ASP 168 6.440 72.566 84.766 1.00 1.00 ATOM 135 CA PRO 169 4.575 71.742 87.971 1.00 1.00 ATOM 136 CA ASP 170 2.338 73.030 90.718 1.00 1.00 ATOM 137 CA HIS 171 3.879 74.498 93.909 1.00 1.00 ATOM 138 CA ARG 172 2.870 71.548 96.113 1.00 1.00 ATOM 139 CA ASN 173 4.939 69.158 93.953 1.00 1.00 ATOM 140 CA THR 174 8.191 71.061 93.850 1.00 1.00 ATOM 141 CA ALA 175 9.675 69.008 96.708 1.00 1.00 ATOM 142 CA LEU 179 8.549 65.948 94.784 1.00 1.00 ATOM 143 CA CYS 180 10.529 67.017 91.733 1.00 1.00 ATOM 144 CA GLU 181 13.421 68.338 93.713 1.00 1.00 ATOM 145 CA TRP 182 13.656 64.724 94.931 1.00 1.00 ATOM 146 CA ALA 183 13.858 63.298 91.389 1.00 1.00 ATOM 147 CA GLY 184 16.894 65.414 90.690 1.00 1.00 ATOM 148 CA CYS 185 15.234 68.587 89.481 1.00 1.00 ATOM 149 CA LYS 186 16.400 72.039 90.414 1.00 1.00 ATOM 150 CA PHE 187 14.261 75.151 90.350 1.00 1.00 ATOM 151 CA LEU 188 14.518 77.176 87.174 1.00 1.00 ATOM 152 CA GLY 189 11.886 79.811 86.753 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:31:18 2002 Date: Thu, 18 Jul 2002 18:31:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 Thu Jul 18 18:02:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_142128_12601 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS007_4 Current information on models submitted in prediction T0152TS007 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_4 PIN_142128_12601 6269-7633-6117 07/18/02 18:02:58 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 casp5@bialko.llnl.gov T0152TS007_4 PIN_142128_12601 6269-7633-6117 07/18/02 18:02:58 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1I21_X # Loading PARENT structure: 1i21 (chain: X) # Number of residues in PARENT structure: 146 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0152 # Total number of residues in target: 210 # Total number of residues in model: 47 # Total number of atoms in model: 47 # Number of atoms with 1.0 occupancy: 47 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 47 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0152 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1I21_X ATOM 46 CA ASP 135 10.615 73.869 57.604 1.00 1.00 ATOM 107 CA VAL 139 17.604 97.940 72.795 1.00 1.00 ATOM 108 CA ASN 140 14.878 98.252 75.537 1.00 1.00 ATOM 109 CA ARG 141 12.460 99.876 73.213 1.00 1.00 ATOM 110 CA GLY 142 9.574 98.556 71.359 1.00 1.00 ATOM 111 CA PHE 143 9.191 95.013 71.332 1.00 1.00 ATOM 112 CA GLY 144 10.134 91.893 72.973 1.00 1.00 ATOM 113 CA PRO 145 6.441 92.535 73.812 1.00 1.00 ATOM 114 CA LEU 146 5.601 92.631 70.109 1.00 1.00 ATOM 115 CA LEU 147 7.555 89.502 69.276 1.00 1.00 ATOM 116 CA LEU 148 5.660 87.729 71.975 1.00 1.00 ATOM 117 CA PRO 149 2.213 88.908 70.921 1.00 1.00 ATOM 118 CA ARG 150 2.818 87.722 67.338 1.00 1.00 ATOM 119 CA ILE 151 4.040 84.267 68.414 1.00 1.00 ATOM 120 CA VAL 152 0.914 84.154 70.572 1.00 1.00 ATOM 121 CA ALA 153 -1.187 84.851 67.432 1.00 1.00 ATOM 122 CA SER 154 0.296 82.102 65.374 1.00 1.00 ATOM 123 CA VAL 155 -0.398 79.612 68.167 1.00 1.00 ATOM 124 CA PHE 156 -3.999 80.562 68.789 1.00 1.00 ATOM 125 CA GLU 159 -4.651 80.667 65.053 1.00 1.00 ATOM 126 CA PRO 160 -3.349 77.079 64.798 1.00 1.00 ATOM 127 CA ARG 161 -5.857 76.029 67.391 1.00 1.00 ATOM 128 CA CYS 162 -3.890 75.952 70.654 1.00 1.00 ATOM 129 CA ARG 163 -6.164 75.928 73.646 1.00 1.00 ATOM 130 CA ARG 164 -3.178 77.104 75.685 1.00 1.00 ATOM 131 CA ILE 165 0.285 78.559 75.251 1.00 1.00 ATOM 132 CA MET 166 3.046 78.433 77.811 1.00 1.00 ATOM 133 CA PHE 167 6.531 79.769 78.455 1.00 1.00 ATOM 134 CA ASP 168 9.060 79.781 81.241 1.00 1.00 ATOM 135 CA PRO 169 10.960 82.809 82.592 1.00 1.00 ATOM 136 CA ASP 170 13.253 84.258 85.299 1.00 1.00 ATOM 137 CA HIS 171 11.406 85.946 88.206 1.00 1.00 ATOM 138 CA ARG 172 12.776 89.319 87.070 1.00 1.00 ATOM 139 CA ASN 173 10.613 89.009 83.935 1.00 1.00 ATOM 140 CA THR 174 7.319 87.943 85.442 1.00 1.00 ATOM 141 CA ALA 175 6.086 91.577 85.378 1.00 1.00 ATOM 142 CA LEU 179 7.167 91.742 81.771 1.00 1.00 ATOM 143 CA CYS 180 5.043 88.699 80.719 1.00 1.00 ATOM 144 CA GLU 181 2.072 89.425 82.911 1.00 1.00 ATOM 145 CA TRP 182 1.977 92.603 80.838 1.00 1.00 ATOM 146 CA ALA 183 1.919 90.566 77.622 1.00 1.00 ATOM 147 CA GLY 184 -1.253 88.878 78.881 1.00 1.00 ATOM 148 CA CYS 185 0.346 85.944 80.694 1.00 1.00 ATOM 149 CA LYS 186 -0.958 84.726 84.036 1.00 1.00 ATOM 150 CA PHE 187 1.081 82.783 86.578 1.00 1.00 ATOM 151 CA LEU 188 0.850 79.037 86.266 1.00 1.00 ATOM 152 CA GLY 189 3.499 77.152 88.171 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:32:31 2002 Date: Thu, 18 Jul 2002 18:32:26 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 Thu Jul 18 18:04:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_159036_12608 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS007_3 Current information on models submitted in prediction T0152TS007 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_3 PIN_159036_12608 6269-7633-6117 07/18/02 18:04:25 casp5@bialko.llnl.gov T0152TS007_4 PIN_142128_12601 6269-7633-6117 07/18/02 18:02:58 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 casp5@bialko.llnl.gov T0152TS007_3 PIN_159036_12608 6269-7633-6117 07/18/02 18:04:25 casp5@bialko.llnl.gov T0152TS007_4 PIN_142128_12601 6269-7633-6117 07/18/02 18:02:58 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1I21_N # Loading PARENT structure: 1i21 (chain: N) # Number of residues in PARENT structure: 143 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0152 # Total number of residues in target: 210 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0152 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1I21_N ATOM 103 CA ASP 135 30.032 11.281 62.872 1.00 1.00 ATOM 104 CA LEU 136 28.706 9.672 59.659 1.00 1.00 ATOM 105 CA SER 137 25.624 8.477 61.476 1.00 1.00 ATOM 106 CA LYS 138 24.810 12.122 62.341 1.00 1.00 ATOM 107 CA VAL 139 25.491 14.289 59.285 1.00 1.00 ATOM 108 CA ASN 140 22.942 16.684 57.878 1.00 1.00 ATOM 109 CA ARG 141 21.612 17.330 61.352 1.00 1.00 ATOM 110 CA GLY 142 23.367 20.632 61.846 1.00 1.00 ATOM 111 CA PHE 143 25.712 19.472 64.545 1.00 1.00 ATOM 112 CA GLY 144 28.799 20.817 62.724 1.00 1.00 ATOM 113 CA PRO 145 27.366 24.325 62.973 1.00 1.00 ATOM 114 CA LEU 146 26.352 24.238 66.629 1.00 1.00 ATOM 115 CA LEU 147 29.742 22.750 67.454 1.00 1.00 ATOM 116 CA LEU 148 31.608 25.609 65.696 1.00 1.00 ATOM 117 CA PRO 149 29.318 28.060 67.488 1.00 1.00 ATOM 118 CA ARG 150 30.217 26.394 70.791 1.00 1.00 ATOM 119 CA ILE 151 33.974 26.448 70.141 1.00 1.00 ATOM 120 CA VAL 152 33.771 30.089 69.098 1.00 1.00 ATOM 121 CA ALA 153 31.942 31.138 72.290 1.00 1.00 ATOM 122 CA SER 154 34.542 29.302 74.323 1.00 1.00 ATOM 123 CA VAL 155 37.408 31.050 72.453 1.00 1.00 ATOM 124 CA PHE 156 35.938 34.530 72.962 1.00 1.00 ATOM 125 CA GLU 159 34.860 34.002 76.575 1.00 1.00 ATOM 126 CA PRO 160 38.449 33.160 77.272 1.00 1.00 ATOM 127 CA ARG 161 39.315 36.548 75.740 1.00 1.00 ATOM 128 CA CYS 162 40.581 35.726 72.234 1.00 1.00 ATOM 129 CA ARG 163 40.718 38.734 69.919 1.00 1.00 ATOM 130 CA ARG 164 40.223 36.413 66.951 1.00 1.00 ATOM 131 CA ILE 165 39.896 32.710 66.228 1.00 1.00 ATOM 132 CA MET 166 41.111 30.978 63.131 1.00 1.00 ATOM 133 CA PHE 167 40.944 27.633 61.446 1.00 1.00 ATOM 134 CA ASP 168 41.942 26.067 58.144 1.00 1.00 ATOM 135 CA PRO 169 39.523 24.299 55.878 1.00 1.00 ATOM 136 CA ASP 170 39.513 23.092 52.404 1.00 1.00 ATOM 137 CA HIS 171 37.920 25.026 49.570 1.00 1.00 ATOM 138 CA ARG 172 34.828 22.824 49.721 1.00 1.00 ATOM 139 CA ASN 173 33.938 23.902 53.258 1.00 1.00 ATOM 140 CA THR 174 34.288 27.663 52.804 1.00 1.00 ATOM 141 CA ALA 175 30.536 28.556 52.313 1.00 1.00 ATOM 142 CA LEU 179 29.908 26.424 55.364 1.00 1.00 ATOM 143 CA CYS 180 32.390 28.349 57.539 1.00 1.00 ATOM 144 CA GLU 181 31.170 31.691 56.155 1.00 1.00 ATOM 145 CA TRP 182 27.632 30.704 57.273 1.00 1.00 ATOM 146 CA ALA 183 29.160 30.250 60.778 1.00 1.00 ATOM 147 CA GLY 184 30.506 33.792 60.819 1.00 1.00 ATOM 148 CA CYS 185 33.957 33.311 59.342 1.00 1.00 ATOM 149 CA LYS 186 35.618 35.258 56.537 1.00 1.00 ATOM 150 CA PHE 187 38.364 34.192 54.064 1.00 1.00 ATOM 151 CA LEU 188 41.585 35.579 55.609 1.00 1.00 ATOM 152 CA GLY 189 44.409 33.668 53.974 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:44:31 2002 Date: Thu, 18 Jul 2002 18:44:26 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0152 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 Thu Jul 18 18:16:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_280192_12664 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0152TS007_1 Current information on models submitted in prediction T0152TS007 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_1 PIN_280192_12664 6269-7633-6117 07/18/02 18:16:36 casp5@bialko.llnl.gov T0152TS007_3 PIN_159036_12608 6269-7633-6117 07/18/02 18:04:25 casp5@bialko.llnl.gov T0152TS007_4 PIN_142128_12601 6269-7633-6117 07/18/02 18:02:58 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 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 T0152 MODEL_INDEX PIN CODE DATE E-mail T0152TS007_1 PIN_280192_12664 6269-7633-6117 07/18/02 18:16:36 casp5@bialko.llnl.gov T0152TS007_2 PIN_598861_12534 6269-7633-6117 07/18/02 17:48:24 casp5@bialko.llnl.gov T0152TS007_3 PIN_159036_12608 6269-7633-6117 07/18/02 18:04:25 casp5@bialko.llnl.gov T0152TS007_4 PIN_142128_12601 6269-7633-6117 07/18/02 18:02:58 casp5@bialko.llnl.gov T0152TS007_5 PIN_709111_12584 6269-7633-6117 07/18/02 17:59:26 casp5@bialko.llnl.gov T0152SS007_1 PIN_311202_12093 6269-7633-6117 07/12/02 10:19:39 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 T0152 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1I21_B # Loading PARENT structure: 1i21 (chain: B) # Number of residues in PARENT structure: 152 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue K 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue F 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue P 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue C 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue M 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue T 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 179 # IMPORTANT NOTE! Not complete main chain atoms for residue C 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue W 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue G 189 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0152 # Total number of residues in target: 210 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0152 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1I21_B ATOM 103 CA ASP 135 17.643 54.692 55.331 1.00 1.00 ATOM 104 CA LEU 136 15.275 56.905 57.393 1.00 1.00 ATOM 105 CA SER 137 12.764 54.197 58.040 1.00 1.00 ATOM 106 CA LYS 138 15.500 51.883 59.259 1.00 1.00 ATOM 107 CA VAL 139 17.348 54.066 61.711 1.00 1.00 ATOM 108 CA ASN 140 18.014 52.715 65.204 1.00 1.00 ATOM 109 CA ARG 141 18.042 49.062 64.117 1.00 1.00 ATOM 110 CA GLY 142 21.804 48.560 64.280 1.00 1.00 ATOM 111 CA PHE 143 22.234 48.300 60.526 1.00 1.00 ATOM 112 CA GLY 144 24.822 51.070 60.390 1.00 1.00 ATOM 113 CA PRO 145 27.222 49.094 62.567 1.00 1.00 ATOM 114 CA LEU 146 26.519 45.899 60.644 1.00 1.00 ATOM 115 CA LEU 147 27.241 47.710 57.394 1.00 1.00 ATOM 116 CA LEU 148 30.552 49.055 58.770 1.00 1.00 ATOM 117 CA PRO 149 31.577 45.670 60.060 1.00 1.00 ATOM 118 CA ARG 150 31.045 44.162 56.615 1.00 1.00 ATOM 119 CA ILE 151 33.001 46.836 54.760 1.00 1.00 ATOM 120 CA VAL 152 35.880 46.276 57.167 1.00 1.00 ATOM 121 CA ALA 153 35.702 42.538 56.525 1.00 1.00 ATOM 122 CA SER 154 35.706 43.199 52.806 1.00 1.00 ATOM 123 CA VAL 155 38.760 45.405 53.079 1.00 1.00 ATOM 124 CA PHE 156 40.731 43.149 55.386 1.00 1.00 ATOM 125 CA GLU 159 40.053 40.067 53.283 1.00 1.00 ATOM 126 CA PRO 160 41.549 41.897 50.291 1.00 1.00 ATOM 127 CA ARG 161 44.618 42.538 52.383 1.00 1.00 ATOM 128 CA CYS 162 44.343 46.178 53.518 1.00 1.00 ATOM 129 CA ARG 163 46.840 47.009 56.196 1.00 1.00 ATOM 130 CA ARG 164 44.319 49.558 57.299 1.00 1.00 ATOM 131 CA ILE 165 40.933 51.076 56.482 1.00 1.00 ATOM 132 CA MET 166 40.119 54.686 57.044 1.00 1.00 ATOM 133 CA PHE 167 37.148 56.997 56.926 1.00 1.00 ATOM 134 CA ASP 168 36.256 60.546 57.946 1.00 1.00 ATOM 135 CA PRO 169 33.452 61.635 60.213 1.00 1.00 ATOM 136 CA ASP 170 32.081 64.353 62.327 1.00 1.00 ATOM 137 CA HIS 171 33.053 64.632 65.968 1.00 1.00 ATOM 138 CA ARG 172 29.419 63.835 66.882 1.00 1.00 ATOM 139 CA ASN 173 30.042 60.394 65.365 1.00 1.00 ATOM 140 CA THR 174 33.461 59.622 66.816 1.00 1.00 ATOM 141 CA ALA 175 31.743 57.530 69.519 1.00 1.00 ATOM 142 CA LEU 179 29.853 55.511 66.943 1.00 1.00 ATOM 143 CA CYS 180 33.039 54.678 64.988 1.00 1.00 ATOM 144 CA GLU 181 34.836 53.845 68.207 1.00 1.00 ATOM 145 CA TRP 182 32.093 51.180 68.803 1.00 1.00 ATOM 146 CA ALA 183 32.787 49.812 65.275 1.00 1.00 ATOM 147 CA GLY 184 36.438 49.310 66.319 1.00 1.00 ATOM 148 CA CYS 185 37.978 52.450 64.827 1.00 1.00 ATOM 149 CA LYS 186 40.210 54.816 66.698 1.00 1.00 ATOM 150 CA PHE 187 40.992 58.508 66.230 1.00 1.00 ATOM 151 CA LEU 188 43.795 58.904 63.666 1.00 1.00 ATOM 152 CA GLY 189 43.958 62.487 62.521 1.00 1.00 TER END ################################ # # # END # # # ################################