From mailer@bialko.llnl.gov Fri Jun 28 09:28:29 2002 Date: Fri, 28 Jun 2002 09:28:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jun 28 09:01:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_129525_11311 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0144SS007_1 Current information on models submitted in prediction T0144SS007 MODEL_INDEX PIN CODE DATE E-mail T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 MODEL_INDEX PIN CODE DATE E-mail T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 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: 172 # Number of residues with nonzero confidence: 172 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0144 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-27097.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-1001//target-align-1001.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 188.541 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-27097.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc64.7892/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 Jun 27 10:49:37 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-1001//target-align-1001.a2m METHOD METHOD guide seq name: seed-seqs-27097.a2m(1), 172 bases, EB29E960 checksum. METHOD ###end 0 MODEL 1 M C 0.65 S C 0.629 N C 0.706 P C 0.609 K E 0.492 V E 0.612 F E 0.648 F E 0.624 D E 0.57 M E 0.606 A E 0.603 I E 0.577 A E 0.473 G C 0.464 N C 0.501 P C 0.494 A C 0.495 G C 0.484 R E 0.469 I E 0.619 V E 0.643 M E 0.637 E E 0.606 L E 0.569 Y E 0.391 A C 0.53 D C 0.527 T C 0.451 T C 0.634 P C 0.587 R H 0.461 T H 0.529 A H 0.625 E H 0.646 N H 0.64 F H 0.646 R H 0.637 A H 0.629 L H 0.574 C H 0.503 T C 0.421 G C 0.533 E C 0.491 K C 0.497 G C 0.504 V C 0.511 G C 0.551 R C 0.516 S C 0.511 G C 0.584 K C 0.546 P C 0.527 L C 0.471 H C 0.424 Y C 0.479 K C 0.57 G C 0.571 S C 0.447 T E 0.511 F E 0.562 H E 0.545 R E 0.582 V E 0.591 I E 0.473 P C 0.496 N C 0.504 F E 0.42 M E 0.522 C E 0.503 Q E 0.427 G C 0.534 G C 0.652 D C 0.668 F C 0.571 T C 0.558 A C 0.58 G C 0.651 N C 0.673 G C 0.686 T C 0.652 G C 0.656 A C 0.625 E C 0.524 S C 0.461 I C 0.456 Y C 0.53 G C 0.565 A C 0.542 K C 0.518 F C 0.508 A C 0.555 D C 0.548 E C 0.491 N C 0.477 F C 0.449 I C 0.456 K C 0.418 R C 0.466 H C 0.513 T C 0.579 G C 0.61 P C 0.578 G C 0.415 I E 0.542 L E 0.603 S E 0.582 M E 0.537 A E 0.406 N C 0.527 A C 0.627 G C 0.778 A C 0.748 G C 0.733 T C 0.731 N C 0.698 G C 0.636 S C 0.43 Q E 0.532 F E 0.647 F E 0.697 I E 0.701 C E 0.648 T E 0.495 E C 0.543 K C 0.62 T C 0.65 E C 0.593 W C 0.538 L C 0.555 D C 0.646 G C 0.633 K C 0.57 H E 0.5 V E 0.602 V E 0.636 F E 0.604 G E 0.525 K E 0.56 V E 0.577 I E 0.418 E C 0.486 G C 0.5 M H 0.485 N H 0.546 V H 0.615 V H 0.654 R H 0.674 D H 0.673 I H 0.666 E H 0.64 K H 0.526 V C 0.399 G C 0.541 S C 0.632 G C 0.676 S C 0.717 G C 0.729 K C 0.648 T C 0.494 S E 0.414 R C 0.415 P E 0.467 V E 0.635 T E 0.683 I E 0.674 A E 0.557 D C 0.444 C C 0.448 G E 0.434 Q E 0.435 L C 0.494 S C 0.906 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 11:24:28 2002 Date: Thu, 25 Jul 2002 11:24:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0144 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 25 10:57:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_697525_15167 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0144TS007_1 Current information on models submitted in prediction T0144TS007 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 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 T0144 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 casp5@bialko.llnl.gov T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1AK4_A # Loading PARENT structure: 1ak4 (chain: A) # Number of residues in PARENT structure: 165 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue A 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue V 21 # IMPORTANT NOTE! Not complete main chain atoms for residue M 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue P 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue P 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue H 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue G 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue N 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue W 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue G 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue H 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue M 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue V 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue R 147 # IMPORTANT NOTE! Not complete main chain atoms for residue D 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue K 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue S 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue D 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0144 # Total number of residues in target: 172 # Total number of residues in model: 164 # Total number of atoms in model: 164 # Number of atoms with 1.0 occupancy: 164 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 164 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0144 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1AK4_A ATOM 1 CA MET 1 13.487 75.384 58.363 1.00 1.00 ATOM 2 CA SER 2 14.881 74.858 54.839 1.00 1.00 ATOM 3 CA ASN 3 16.668 71.545 55.424 1.00 1.00 ATOM 4 CA PRO 4 14.294 68.645 56.338 1.00 1.00 ATOM 5 CA LYS 5 15.000 65.844 58.821 1.00 1.00 ATOM 6 CA VAL 6 14.072 62.206 58.219 1.00 1.00 ATOM 7 CA PHE 7 14.348 59.027 60.300 1.00 1.00 ATOM 8 CA PHE 8 14.935 55.308 59.727 1.00 1.00 ATOM 9 CA ASP 9 13.891 52.628 62.204 1.00 1.00 ATOM 10 CA MET 10 16.405 49.860 61.610 1.00 1.00 ATOM 11 CA ALA 11 15.619 46.212 62.324 1.00 1.00 ATOM 12 CA ILE 12 17.858 43.145 62.375 1.00 1.00 ATOM 13 CA ALA 13 15.975 39.994 61.359 1.00 1.00 ATOM 14 CA GLY 14 12.811 41.704 62.586 1.00 1.00 ATOM 15 CA ASN 15 14.269 42.672 65.973 1.00 1.00 ATOM 16 CA PRO 16 14.507 46.465 66.530 1.00 1.00 ATOM 17 CA ALA 17 18.042 47.895 66.583 1.00 1.00 ATOM 18 CA GLY 18 17.398 51.631 66.773 1.00 1.00 ATOM 19 CA ARG 19 16.695 54.910 65.006 1.00 1.00 ATOM 20 CA ILE 20 18.960 56.898 62.704 1.00 1.00 ATOM 21 CA VAL 21 17.961 60.438 61.727 1.00 1.00 ATOM 22 CA MET 22 19.369 62.537 58.882 1.00 1.00 ATOM 23 CA GLU 23 19.580 66.199 57.985 1.00 1.00 ATOM 24 CA LEU 24 19.051 66.801 54.264 1.00 1.00 ATOM 25 CA TYR 25 20.894 69.711 52.684 1.00 1.00 ATOM 26 CA ALA 26 18.051 70.985 50.522 1.00 1.00 ATOM 27 CA ASP 27 19.796 74.362 50.660 1.00 1.00 ATOM 28 CA THR 28 22.632 72.876 48.575 1.00 1.00 ATOM 29 CA THR 29 20.998 69.976 46.719 1.00 1.00 ATOM 30 CA PRO 30 17.200 70.505 46.724 1.00 1.00 ATOM 31 CA ARG 31 16.260 67.997 44.005 1.00 1.00 ATOM 32 CA THR 32 18.358 65.236 45.615 1.00 1.00 ATOM 33 CA ALA 33 17.203 65.992 49.172 1.00 1.00 ATOM 34 CA GLU 34 13.579 66.072 47.963 1.00 1.00 ATOM 35 CA ASN 35 13.888 62.660 46.300 1.00 1.00 ATOM 36 CA PHE 36 15.184 61.081 49.520 1.00 1.00 ATOM 37 CA ARG 37 12.668 62.901 51.760 1.00 1.00 ATOM 38 CA ALA 38 9.580 61.871 49.746 1.00 1.00 ATOM 39 CA LEU 39 10.834 58.271 49.530 1.00 1.00 ATOM 40 CA CYS 40 11.220 58.268 53.329 1.00 1.00 ATOM 41 CA THR 41 7.671 59.509 53.959 1.00 1.00 ATOM 42 CA GLY 42 6.193 57.221 51.304 1.00 1.00 ATOM 43 CA GLU 43 3.879 59.945 50.003 1.00 1.00 ATOM 44 CA LYS 51 4.222 58.658 46.419 1.00 1.00 ATOM 45 CA PRO 52 2.904 55.205 47.283 1.00 1.00 ATOM 46 CA LEU 53 6.358 53.613 47.238 1.00 1.00 ATOM 47 CA HIS 54 9.685 54.095 49.014 1.00 1.00 ATOM 48 CA TYR 55 12.247 52.967 51.569 1.00 1.00 ATOM 49 CA LYS 56 9.936 51.529 54.252 1.00 1.00 ATOM 50 CA GLY 57 10.391 47.765 54.390 1.00 1.00 ATOM 51 CA SER 58 13.504 47.878 52.200 1.00 1.00 ATOM 52 CA THR 59 16.841 46.378 53.272 1.00 1.00 ATOM 53 CA PHE 60 20.519 47.322 53.408 1.00 1.00 ATOM 54 CA HIS 61 21.823 44.856 50.828 1.00 1.00 ATOM 55 CA ARG 62 25.479 45.946 50.754 1.00 1.00 ATOM 56 CA VAL 63 27.410 46.790 53.940 1.00 1.00 ATOM 57 CA ILE 64 31.213 47.048 53.953 1.00 1.00 ATOM 58 CA PRO 65 32.909 47.533 57.373 1.00 1.00 ATOM 59 CA ASN 66 35.055 50.662 57.412 1.00 1.00 ATOM 60 CA PHE 67 33.573 51.874 54.127 1.00 1.00 ATOM 61 CA MET 68 29.792 52.435 54.046 1.00 1.00 ATOM 62 CA CYS 69 26.262 51.086 54.498 1.00 1.00 ATOM 63 CA GLN 70 24.177 50.918 51.300 1.00 1.00 ATOM 64 CA GLY 71 20.420 50.681 50.835 1.00 1.00 ATOM 65 CA GLY 72 17.499 52.170 48.939 1.00 1.00 ATOM 66 CA ASP 73 16.835 49.456 46.357 1.00 1.00 ATOM 67 CA PHE 74 13.141 48.910 47.081 1.00 1.00 ATOM 68 CA THR 75 12.336 47.351 43.692 1.00 1.00 ATOM 69 CA ALA 76 15.068 44.785 42.854 1.00 1.00 ATOM 70 CA GLY 77 16.632 44.593 46.371 1.00 1.00 ATOM 71 CA ASN 78 20.071 43.609 44.977 1.00 1.00 ATOM 72 CA GLY 79 21.877 46.734 43.778 1.00 1.00 ATOM 73 CA THR 80 20.437 46.589 40.270 1.00 1.00 ATOM 74 CA GLY 81 17.239 48.503 40.960 1.00 1.00 ATOM 75 CA ALA 82 15.454 51.367 42.664 1.00 1.00 ATOM 76 CA GLU 83 13.787 54.479 41.272 1.00 1.00 ATOM 77 CA SER 84 13.415 58.167 42.063 1.00 1.00 ATOM 78 CA ILE 85 10.319 60.316 42.574 1.00 1.00 ATOM 79 CA TYR 86 10.992 61.742 39.115 1.00 1.00 ATOM 80 CA GLY 87 10.077 58.500 37.348 1.00 1.00 ATOM 81 CA ALA 88 13.486 56.879 36.870 1.00 1.00 ATOM 82 CA LYS 89 17.083 58.183 36.972 1.00 1.00 ATOM 83 CA PHE 90 18.033 61.824 37.459 1.00 1.00 ATOM 84 CA ALA 91 21.161 63.913 37.052 1.00 1.00 ATOM 85 CA ASP 92 24.073 64.552 39.397 1.00 1.00 ATOM 86 CA GLU 93 22.800 67.836 40.825 1.00 1.00 ATOM 87 CA ASN 94 26.228 69.076 41.909 1.00 1.00 ATOM 88 CA PHE 95 29.325 67.982 43.814 1.00 1.00 ATOM 89 CA ILE 96 29.649 71.012 46.086 1.00 1.00 ATOM 90 CA LYS 97 29.672 68.875 49.249 1.00 1.00 ATOM 91 CA ARG 98 32.357 66.334 50.097 1.00 1.00 ATOM 92 CA HIS 99 32.615 62.928 51.753 1.00 1.00 ATOM 93 CA THR 100 34.270 64.360 54.878 1.00 1.00 ATOM 94 CA GLY 101 33.772 61.519 57.361 1.00 1.00 ATOM 95 CA PRO 102 31.343 59.021 58.964 1.00 1.00 ATOM 96 CA GLY 103 27.656 59.891 58.811 1.00 1.00 ATOM 97 CA ILE 104 27.822 61.389 55.321 1.00 1.00 ATOM 98 CA LEU 105 24.715 60.439 53.312 1.00 1.00 ATOM 99 CA SER 106 25.414 60.155 49.571 1.00 1.00 ATOM 100 CA MET 107 23.808 58.900 46.334 1.00 1.00 ATOM 101 CA ALA 108 24.814 55.392 45.233 1.00 1.00 ATOM 102 CA ASN 109 24.760 55.648 41.446 1.00 1.00 ATOM 103 CA ALA 110 25.869 53.331 38.638 1.00 1.00 ATOM 104 CA GLY 111 27.696 56.081 36.756 1.00 1.00 ATOM 105 CA ALA 112 27.292 59.799 35.915 1.00 1.00 ATOM 106 CA GLY 113 23.657 60.926 36.057 1.00 1.00 ATOM 107 CA THR 114 22.198 57.578 37.184 1.00 1.00 ATOM 108 CA ASN 115 20.519 58.669 40.421 1.00 1.00 ATOM 109 CA GLY 116 17.499 56.605 41.425 1.00 1.00 ATOM 110 CA SER 117 16.812 55.672 45.041 1.00 1.00 ATOM 111 CA GLN 118 19.971 53.903 46.269 1.00 1.00 ATOM 112 CA PHE 119 22.119 55.693 48.840 1.00 1.00 ATOM 113 CA PHE 120 24.993 55.028 51.219 1.00 1.00 ATOM 114 CA ILE 121 26.016 56.239 54.678 1.00 1.00 ATOM 115 CA CYS 122 29.797 56.565 55.043 1.00 1.00 ATOM 116 CA THR 123 31.418 54.941 58.072 1.00 1.00 ATOM 117 CA GLU 124 34.701 56.718 57.268 1.00 1.00 ATOM 118 CA LYS 125 36.271 59.517 55.218 1.00 1.00 ATOM 119 CA THR 126 35.845 58.502 51.560 1.00 1.00 ATOM 120 CA GLU 127 37.603 61.304 49.699 1.00 1.00 ATOM 121 CA TRP 128 37.931 59.433 46.385 1.00 1.00 ATOM 122 CA LEU 129 34.134 59.508 46.073 1.00 1.00 ATOM 123 CA ASP 130 34.106 63.292 45.671 1.00 1.00 ATOM 124 CA GLY 131 32.925 64.320 42.218 1.00 1.00 ATOM 125 CA LYS 132 31.461 60.859 41.615 1.00 1.00 ATOM 126 CA HIS 133 28.643 60.644 44.179 1.00 1.00 ATOM 127 CA VAL 134 26.251 63.388 45.309 1.00 1.00 ATOM 128 CA VAL 135 26.366 64.276 49.013 1.00 1.00 ATOM 129 CA PHE 136 22.934 65.456 50.152 1.00 1.00 ATOM 130 CA GLY 137 22.745 64.835 53.886 1.00 1.00 ATOM 131 CA LYS 138 24.338 63.639 57.111 1.00 1.00 ATOM 132 CA VAL 139 23.343 61.551 60.138 1.00 1.00 ATOM 133 CA ILE 140 21.853 63.849 62.774 1.00 1.00 ATOM 134 CA GLU 141 21.446 61.147 65.428 1.00 1.00 ATOM 135 CA GLY 142 22.093 57.418 65.634 1.00 1.00 ATOM 136 CA MET 143 25.617 57.028 64.211 1.00 1.00 ATOM 137 CA ASN 144 25.944 54.294 66.855 1.00 1.00 ATOM 138 CA VAL 145 23.120 52.442 65.091 1.00 1.00 ATOM 139 CA VAL 146 25.036 52.709 61.802 1.00 1.00 ATOM 140 CA ARG 147 28.143 51.360 63.560 1.00 1.00 ATOM 141 CA ASP 148 25.877 48.564 64.839 1.00 1.00 ATOM 142 CA ILE 149 24.687 47.895 61.275 1.00 1.00 ATOM 143 CA GLU 150 28.182 47.657 59.802 1.00 1.00 ATOM 144 CA LYS 151 28.905 44.788 62.212 1.00 1.00 ATOM 145 CA VAL 152 26.607 42.676 60.017 1.00 1.00 ATOM 146 CA GLY 153 28.563 43.600 56.905 1.00 1.00 ATOM 147 CA SER 154 31.349 41.828 55.039 1.00 1.00 ATOM 148 CA GLY 155 34.300 42.416 52.723 1.00 1.00 ATOM 149 CA SER 156 32.176 42.277 49.571 1.00 1.00 ATOM 150 CA GLY 157 29.097 43.855 51.141 1.00 1.00 ATOM 151 CA LYS 158 27.079 40.679 51.705 1.00 1.00 ATOM 152 CA THR 159 25.234 41.173 55.003 1.00 1.00 ATOM 153 CA SER 160 25.223 38.293 57.518 1.00 1.00 ATOM 154 CA ARG 161 21.760 39.312 58.759 1.00 1.00 ATOM 155 CA PRO 162 18.668 40.864 57.159 1.00 1.00 ATOM 156 CA VAL 163 19.056 44.589 57.861 1.00 1.00 ATOM 157 CA THR 164 15.839 46.469 57.081 1.00 1.00 ATOM 158 CA ILE 165 14.196 49.879 57.346 1.00 1.00 ATOM 159 CA ALA 166 11.276 48.785 59.558 1.00 1.00 ATOM 160 CA ASP 167 9.745 52.264 59.353 1.00 1.00 ATOM 161 CA CYS 168 10.728 55.745 58.160 1.00 1.00 ATOM 162 CA GLY 169 9.322 59.229 57.734 1.00 1.00 ATOM 163 CA GLN 170 9.900 62.964 58.074 1.00 1.00 ATOM 164 CA LEU 171 10.327 64.602 61.496 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 11:25:08 2002 Date: Thu, 25 Jul 2002 11:25:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0144 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 25 10:57:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_698892_15168 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0144TS007_2 Current information on models submitted in prediction T0144TS007 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 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 T0144 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1AK4_B # Loading PARENT structure: 1ak4 (chain: B) # Number of residues in PARENT structure: 163 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue A 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue V 21 # IMPORTANT NOTE! Not complete main chain atoms for residue M 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue P 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue P 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue H 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue G 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue N 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue W 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue G 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue H 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue M 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue V 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue R 147 # IMPORTANT NOTE! Not complete main chain atoms for residue D 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue K 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue S 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue D 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0144 # Total number of residues in target: 172 # Total number of residues in model: 162 # Total number of atoms in model: 162 # Number of atoms with 1.0 occupancy: 162 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 162 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0144 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1AK4_B ATOM 3 CA ASN 3 49.411 -2.734 57.267 1.00 1.00 ATOM 4 CA PRO 4 51.593 0.366 57.158 1.00 1.00 ATOM 5 CA LYS 5 50.909 3.618 59.009 1.00 1.00 ATOM 6 CA VAL 6 51.816 7.048 57.635 1.00 1.00 ATOM 7 CA PHE 7 51.561 10.589 59.004 1.00 1.00 ATOM 8 CA PHE 8 50.958 14.105 57.674 1.00 1.00 ATOM 9 CA ASP 9 52.032 17.248 59.507 1.00 1.00 ATOM 10 CA MET 10 49.502 19.829 58.395 1.00 1.00 ATOM 11 CA ALA 11 50.288 23.547 58.305 1.00 1.00 ATOM 12 CA ILE 12 48.034 26.556 57.756 1.00 1.00 ATOM 13 CA ALA 13 49.885 29.423 56.066 1.00 1.00 ATOM 14 CA GLY 14 53.083 28.005 57.554 1.00 1.00 ATOM 15 CA ASN 15 51.779 27.896 61.124 1.00 1.00 ATOM 16 CA PRO 16 51.568 24.356 62.540 1.00 1.00 ATOM 17 CA ALA 17 48.133 22.785 62.918 1.00 1.00 ATOM 18 CA GLY 18 48.737 19.174 63.914 1.00 1.00 ATOM 19 CA ARG 19 49.338 15.604 62.785 1.00 1.00 ATOM 20 CA ILE 20 47.012 13.176 61.006 1.00 1.00 ATOM 21 CA VAL 21 47.991 9.514 60.767 1.00 1.00 ATOM 22 CA MET 22 46.540 6.865 58.461 1.00 1.00 ATOM 23 CA GLU 23 46.322 3.095 58.354 1.00 1.00 ATOM 24 CA LEU 24 46.795 1.719 54.836 1.00 1.00 ATOM 25 CA TYR 25 44.929 -1.458 53.943 1.00 1.00 ATOM 26 CA ALA 26 47.741 -3.155 52.035 1.00 1.00 ATOM 27 CA ASP 27 46.009 -6.430 52.916 1.00 1.00 ATOM 28 CA THR 28 43.125 -5.416 50.616 1.00 1.00 ATOM 29 CA THR 29 44.724 -2.979 48.160 1.00 1.00 ATOM 30 CA PRO 30 48.521 -3.494 48.212 1.00 1.00 ATOM 31 CA ARG 31 49.409 -1.614 45.008 1.00 1.00 ATOM 32 CA THR 32 47.327 1.427 46.031 1.00 1.00 ATOM 33 CA ALA 33 48.545 1.436 49.653 1.00 1.00 ATOM 34 CA GLU 34 52.146 1.100 48.420 1.00 1.00 ATOM 35 CA ASN 35 51.796 4.087 46.078 1.00 1.00 ATOM 36 CA PHE 36 50.548 6.305 48.920 1.00 1.00 ATOM 37 CA ARG 37 53.116 5.000 51.444 1.00 1.00 ATOM 38 CA ALA 38 56.157 5.583 49.203 1.00 1.00 ATOM 39 CA LEU 39 54.884 9.059 48.258 1.00 1.00 ATOM 40 CA CYS 40 54.569 9.864 51.976 1.00 1.00 ATOM 41 CA THR 41 58.134 8.782 52.789 1.00 1.00 ATOM 42 CA GLY 42 59.556 10.459 49.685 1.00 1.00 ATOM 43 CA GLU 43 61.857 7.523 48.945 1.00 1.00 ATOM 44 CA LYS 51 61.449 8.026 45.176 1.00 1.00 ATOM 45 CA PRO 52 62.763 11.583 45.268 1.00 1.00 ATOM 46 CA LEU 53 59.301 13.125 44.953 1.00 1.00 ATOM 47 CA HIS 54 56.005 13.032 46.849 1.00 1.00 ATOM 48 CA TYR 55 53.487 14.680 49.155 1.00 1.00 ATOM 49 CA LYS 56 55.840 16.645 51.433 1.00 1.00 ATOM 50 CA GLY 57 55.377 20.349 50.781 1.00 1.00 ATOM 51 CA SER 58 52.223 19.778 48.731 1.00 1.00 ATOM 52 CA THR 59 48.898 21.470 49.517 1.00 1.00 ATOM 53 CA PHE 60 45.227 20.577 49.918 1.00 1.00 ATOM 54 CA HIS 61 43.867 22.447 46.902 1.00 1.00 ATOM 55 CA ARG 62 40.219 21.360 47.131 1.00 1.00 ATOM 56 CA VAL 63 38.345 21.204 50.452 1.00 1.00 ATOM 57 CA ILE 64 34.545 20.957 50.590 1.00 1.00 ATOM 58 CA PRO 65 32.918 21.205 54.067 1.00 1.00 ATOM 59 CA ASN 66 30.777 18.158 54.800 1.00 1.00 ATOM 60 CA PHE 67 32.207 16.277 51.824 1.00 1.00 ATOM 61 CA MET 68 35.990 15.711 51.785 1.00 1.00 ATOM 62 CA CYS 69 39.526 17.131 51.879 1.00 1.00 ATOM 63 CA GLN 70 41.554 16.620 48.684 1.00 1.00 ATOM 64 CA GLY 71 45.295 16.754 48.106 1.00 1.00 ATOM 65 CA GLY 72 48.193 14.899 46.518 1.00 1.00 ATOM 66 CA ASP 73 48.798 17.007 43.410 1.00 1.00 ATOM 67 CA PHE 74 52.500 17.692 43.933 1.00 1.00 ATOM 68 CA THR 75 53.278 18.505 40.273 1.00 1.00 ATOM 69 CA ALA 76 50.485 20.909 39.281 1.00 1.00 ATOM 70 CA GLY 77 48.999 21.862 42.676 1.00 1.00 ATOM 71 CA ASN 78 45.490 22.714 41.390 1.00 1.00 ATOM 72 CA GLY 79 43.916 19.345 40.584 1.00 1.00 ATOM 73 CA THR 80 45.262 18.821 37.059 1.00 1.00 ATOM 74 CA GLY 81 48.294 16.707 37.930 1.00 1.00 ATOM 75 CA ALA 82 50.118 14.357 40.245 1.00 1.00 ATOM 76 CA GLU 83 51.776 11.041 39.449 1.00 1.00 ATOM 77 CA SER 84 52.186 7.575 40.941 1.00 1.00 ATOM 78 CA ILE 85 55.317 5.579 41.790 1.00 1.00 ATOM 79 CA TYR 86 54.476 3.334 38.830 1.00 1.00 ATOM 80 CA GLY 87 54.349 6.278 36.437 1.00 1.00 ATOM 81 CA ALA 88 51.532 8.614 35.434 1.00 1.00 ATOM 82 CA LYS 89 48.434 6.519 36.174 1.00 1.00 ATOM 83 CA PHE 90 47.589 2.983 37.239 1.00 1.00 ATOM 84 CA ALA 91 44.570 0.663 37.289 1.00 1.00 ATOM 85 CA ASP 92 41.711 0.604 39.735 1.00 1.00 ATOM 86 CA GLU 93 43.075 -2.263 41.829 1.00 1.00 ATOM 87 CA ASN 94 39.691 -3.274 43.230 1.00 1.00 ATOM 88 CA PHE 95 36.612 -1.820 44.919 1.00 1.00 ATOM 89 CA ILE 96 36.389 -4.264 47.825 1.00 1.00 ATOM 90 CA LYS 97 36.364 -1.468 50.428 1.00 1.00 ATOM 91 CA ARG 98 33.734 1.290 50.731 1.00 1.00 ATOM 92 CA HIS 99 33.196 4.945 51.739 1.00 1.00 ATOM 93 CA THR 100 31.588 4.232 55.130 1.00 1.00 ATOM 94 CA GLY 101 32.112 7.530 56.954 1.00 1.00 ATOM 95 CA PRO 102 34.558 10.310 57.957 1.00 1.00 ATOM 96 CA GLY 103 38.243 9.429 57.942 1.00 1.00 ATOM 97 CA ILE 104 38.037 7.222 54.851 1.00 1.00 ATOM 98 CA LEU 105 41.115 7.721 52.645 1.00 1.00 ATOM 99 CA SER 106 40.372 7.210 48.937 1.00 1.00 ATOM 100 CA MET 107 41.929 7.746 45.488 1.00 1.00 ATOM 101 CA ALA 108 40.905 10.944 43.685 1.00 1.00 ATOM 102 CA ASN 109 40.912 9.894 40.033 1.00 1.00 ATOM 103 CA ALA 110 39.754 11.562 36.815 1.00 1.00 ATOM 104 CA GLY 111 37.909 8.475 35.586 1.00 1.00 ATOM 105 CA ALA 112 38.317 4.662 35.546 1.00 1.00 ATOM 106 CA GLY 113 41.958 3.589 35.874 1.00 1.00 ATOM 107 CA THR 114 43.417 7.100 36.246 1.00 1.00 ATOM 108 CA ASN 115 45.142 6.720 39.625 1.00 1.00 ATOM 109 CA GLY 116 48.175 8.936 40.122 1.00 1.00 ATOM 110 CA SER 117 48.899 10.626 43.448 1.00 1.00 ATOM 111 CA GLN 118 45.758 12.616 44.315 1.00 1.00 ATOM 112 CA PHE 119 43.647 11.414 47.236 1.00 1.00 ATOM 113 CA PHE 120 40.803 12.572 49.458 1.00 1.00 ATOM 114 CA ILE 121 39.821 12.112 53.104 1.00 1.00 ATOM 115 CA CYS 122 36.047 11.882 53.577 1.00 1.00 ATOM 116 CA THR 123 34.464 14.108 56.217 1.00 1.00 ATOM 117 CA GLU 124 31.172 12.207 55.850 1.00 1.00 ATOM 118 CA LYS 125 29.581 9.039 54.462 1.00 1.00 ATOM 119 CA THR 126 29.960 9.259 50.663 1.00 1.00 ATOM 120 CA GLU 127 28.182 6.129 49.462 1.00 1.00 ATOM 121 CA TRP 128 27.813 7.248 45.827 1.00 1.00 ATOM 122 CA LEU 129 31.601 7.107 45.490 1.00 1.00 ATOM 123 CA ASP 130 31.634 3.322 45.901 1.00 1.00 ATOM 124 CA GLY 131 32.774 1.584 42.732 1.00 1.00 ATOM 125 CA LYS 132 34.218 4.837 41.388 1.00 1.00 ATOM 126 CA HIS 133 37.073 5.590 43.811 1.00 1.00 ATOM 127 CA VAL 134 39.482 3.144 45.466 1.00 1.00 ATOM 128 CA VAL 135 39.412 3.065 49.277 1.00 1.00 ATOM 129 CA PHE 136 42.868 2.151 50.596 1.00 1.00 ATOM 130 CA GLY 137 43.105 3.551 54.111 1.00 1.00 ATOM 131 CA LYS 138 41.556 5.399 57.030 1.00 1.00 ATOM 132 CA VAL 139 42.562 8.083 59.539 1.00 1.00 ATOM 133 CA ILE 140 44.104 6.399 62.583 1.00 1.00 ATOM 134 CA GLU 141 44.543 9.600 64.590 1.00 1.00 ATOM 135 CA GLY 142 43.899 13.288 64.009 1.00 1.00 ATOM 136 CA MET 143 40.345 13.377 62.592 1.00 1.00 ATOM 137 CA ASN 144 40.057 16.608 64.590 1.00 1.00 ATOM 138 CA VAL 145 42.855 18.036 62.433 1.00 1.00 ATOM 139 CA VAL 146 40.888 17.083 59.302 1.00 1.00 ATOM 140 CA ARG 147 37.811 18.778 60.786 1.00 1.00 ATOM 141 CA ASP 148 40.082 21.779 61.403 1.00 1.00 ATOM 142 CA ILE 149 41.224 21.679 57.760 1.00 1.00 ATOM 143 CA GLU 150 37.700 21.594 56.325 1.00 1.00 ATOM 144 CA LYS 151 36.933 24.839 58.157 1.00 1.00 ATOM 145 CA VAL 152 39.145 26.582 55.581 1.00 1.00 ATOM 146 CA GLY 153 37.215 24.996 52.727 1.00 1.00 ATOM 147 CA SER 154 34.330 26.256 50.597 1.00 1.00 ATOM 148 CA GLY 155 31.405 25.081 48.447 1.00 1.00 ATOM 149 CA SER 156 33.391 24.746 45.218 1.00 1.00 ATOM 150 CA GLY 157 36.447 23.457 47.066 1.00 1.00 ATOM 151 CA LYS 158 38.528 26.643 47.165 1.00 1.00 ATOM 152 CA THR 159 40.592 27.164 50.333 1.00 1.00 ATOM 153 CA SER 160 40.769 30.505 52.167 1.00 1.00 ATOM 154 CA ARG 161 44.153 29.611 53.677 1.00 1.00 ATOM 155 CA PRO 162 47.149 27.743 52.243 1.00 1.00 ATOM 156 CA VAL 163 46.878 24.263 53.755 1.00 1.00 ATOM 157 CA THR 164 50.026 22.184 53.241 1.00 1.00 ATOM 158 CA ILE 165 51.658 18.897 54.204 1.00 1.00 ATOM 159 CA ALA 166 54.662 20.417 56.019 1.00 1.00 ATOM 160 CA ASP 167 56.161 16.957 56.535 1.00 1.00 ATOM 161 CA CYS 168 55.119 13.311 56.179 1.00 1.00 ATOM 162 CA GLY 169 56.489 9.804 56.491 1.00 1.00 ATOM 163 CA GLN 170 55.911 6.242 57.654 1.00 1.00 ATOM 164 CA LEU 171 55.505 5.296 61.333 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 11:25:19 2002 Date: Thu, 25 Jul 2002 11:25:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0144 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 25 10:57:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_700827_15169 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0144TS007_3 Current information on models submitted in prediction T0144TS007 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_3 PIN_700827_15169 6269-7633-6117 07/25/02 10:57:41 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 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 T0144 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_3 PIN_700827_15169 6269-7633-6117 07/25/02 10:57:41 casp5@bialko.llnl.gov T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1BCK_A # Loading PARENT structure: 1bck (chain: A) # Number of residues in PARENT structure: 165 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue A 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue V 21 # IMPORTANT NOTE! Not complete main chain atoms for residue M 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue P 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue P 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue H 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue G 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue N 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue W 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue G 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue H 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue M 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue V 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue R 147 # IMPORTANT NOTE! Not complete main chain atoms for residue D 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue K 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue S 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue D 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0144 # Total number of residues in target: 172 # Total number of residues in model: 164 # Total number of atoms in model: 164 # Number of atoms with 1.0 occupancy: 164 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 164 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0144 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1BCK_A ATOM 1 CA MET 1 13.218 9.718 38.555 1.00 1.00 ATOM 2 CA SER 2 11.500 12.822 39.868 1.00 1.00 ATOM 3 CA ASN 3 10.551 15.874 37.825 1.00 1.00 ATOM 4 CA PRO 4 12.645 18.927 38.672 1.00 1.00 ATOM 5 CA LYS 5 11.043 21.827 40.525 1.00 1.00 ATOM 6 CA VAL 6 12.335 25.356 39.869 1.00 1.00 ATOM 7 CA PHE 7 11.390 28.756 41.307 1.00 1.00 ATOM 8 CA PHE 8 11.346 32.389 40.243 1.00 1.00 ATOM 9 CA ASP 9 11.223 35.209 42.810 1.00 1.00 ATOM 10 CA MET 10 9.351 38.000 41.029 1.00 1.00 ATOM 11 CA ALA 11 9.884 41.700 41.658 1.00 1.00 ATOM 12 CA ILE 12 7.826 44.653 40.383 1.00 1.00 ATOM 13 CA ALA 13 9.926 47.784 39.888 1.00 1.00 ATOM 14 CA GLY 14 12.414 46.276 42.327 1.00 1.00 ATOM 15 CA ASN 15 9.788 45.383 44.974 1.00 1.00 ATOM 16 CA PRO 16 9.661 41.659 45.748 1.00 1.00 ATOM 17 CA ALA 17 6.222 40.269 44.947 1.00 1.00 ATOM 18 CA GLY 18 6.533 36.551 45.594 1.00 1.00 ATOM 19 CA ARG 19 7.742 33.136 44.538 1.00 1.00 ATOM 20 CA ILE 20 6.360 30.982 41.716 1.00 1.00 ATOM 21 CA VAL 21 7.466 27.352 41.598 1.00 1.00 ATOM 22 CA MET 22 7.174 25.182 38.485 1.00 1.00 ATOM 23 CA GLU 23 7.215 21.467 37.926 1.00 1.00 ATOM 24 CA LEU 24 9.086 20.613 34.706 1.00 1.00 ATOM 25 CA TYR 25 7.918 17.534 32.788 1.00 1.00 ATOM 26 CA ALA 26 11.365 15.956 32.273 1.00 1.00 ATOM 27 CA ASP 27 9.682 12.578 31.961 1.00 1.00 ATOM 28 CA THR 28 7.856 13.715 28.816 1.00 1.00 ATOM 29 CA THR 29 10.081 16.424 27.261 1.00 1.00 ATOM 30 CA PRO 30 13.535 15.841 28.825 1.00 1.00 ATOM 31 CA ARG 31 15.513 18.112 26.470 1.00 1.00 ATOM 32 CA THR 32 13.105 21.063 26.815 1.00 1.00 ATOM 33 CA ALA 33 12.801 20.599 30.594 1.00 1.00 ATOM 34 CA GLU 34 16.607 20.421 30.999 1.00 1.00 ATOM 35 CA ASN 35 17.066 23.615 29.011 1.00 1.00 ATOM 36 CA PHE 36 14.666 25.532 31.303 1.00 1.00 ATOM 37 CA ARG 37 16.167 23.998 34.476 1.00 1.00 ATOM 38 CA ALA 38 19.780 24.901 33.520 1.00 1.00 ATOM 39 CA LEU 39 18.710 28.434 32.540 1.00 1.00 ATOM 40 CA CYS 40 17.015 28.838 35.970 1.00 1.00 ATOM 41 CA THR 41 20.159 27.823 37.921 1.00 1.00 ATOM 42 CA GLY 42 22.481 29.740 35.577 1.00 1.00 ATOM 43 CA GLU 43 24.963 26.860 35.675 1.00 1.00 ATOM 44 CA LYS 51 26.073 27.399 32.077 1.00 1.00 ATOM 45 CA PRO 52 27.138 30.957 32.853 1.00 1.00 ATOM 46 CA LEU 53 23.949 32.638 31.620 1.00 1.00 ATOM 47 CA HIS 54 20.269 32.378 32.457 1.00 1.00 ATOM 48 CA TYR 55 16.988 33.911 33.612 1.00 1.00 ATOM 49 CA LYS 56 18.148 35.667 36.825 1.00 1.00 ATOM 50 CA GLY 57 17.758 39.398 36.351 1.00 1.00 ATOM 51 CA SER 58 15.685 39.153 33.137 1.00 1.00 ATOM 52 CA THR 59 12.172 40.549 32.698 1.00 1.00 ATOM 53 CA PHE 60 8.735 39.526 31.457 1.00 1.00 ATOM 54 CA HIS 61 8.581 41.816 28.424 1.00 1.00 ATOM 55 CA ARG 62 5.074 41.003 27.194 1.00 1.00 ATOM 56 CA VAL 63 2.010 40.393 29.348 1.00 1.00 ATOM 57 CA ILE 64 -1.526 40.185 27.987 1.00 1.00 ATOM 58 CA PRO 65 -4.319 39.754 30.615 1.00 1.00 ATOM 59 CA ASN 66 -6.415 36.598 30.120 1.00 1.00 ATOM 60 CA PHE 67 -3.819 35.173 27.715 1.00 1.00 ATOM 61 CA MET 68 -0.217 34.815 29.021 1.00 1.00 ATOM 62 CA CYS 69 2.982 36.279 30.498 1.00 1.00 ATOM 63 CA GLN 70 6.117 35.946 28.308 1.00 1.00 ATOM 64 CA GLY 71 9.717 36.260 29.379 1.00 1.00 ATOM 65 CA GLY 72 13.143 34.682 29.046 1.00 1.00 ATOM 66 CA ASP 73 14.927 37.065 26.667 1.00 1.00 ATOM 67 CA PHE 74 18.107 37.486 28.731 1.00 1.00 ATOM 68 CA THR 75 20.143 38.869 25.780 1.00 1.00 ATOM 69 CA ALA 76 17.970 41.511 24.047 1.00 1.00 ATOM 70 CA GLY 77 15.316 41.952 26.758 1.00 1.00 ATOM 71 CA ASN 78 12.791 42.819 24.041 1.00 1.00 ATOM 72 CA GLY 79 11.573 39.508 22.655 1.00 1.00 ATOM 73 CA THR 80 14.169 39.230 19.876 1.00 1.00 ATOM 74 CA GLY 81 16.870 37.330 21.769 1.00 1.00 ATOM 75 CA ALA 82 17.784 34.559 24.135 1.00 1.00 ATOM 76 CA GLU 83 19.452 31.239 23.466 1.00 1.00 ATOM 77 CA SER 84 19.238 27.640 24.573 1.00 1.00 ATOM 78 CA ILE 85 21.942 25.682 26.415 1.00 1.00 ATOM 79 CA TYR 86 22.285 23.651 23.190 1.00 1.00 ATOM 80 CA GLY 87 23.378 26.564 21.049 1.00 1.00 ATOM 81 CA ALA 88 21.220 29.254 19.454 1.00 1.00 ATOM 82 CA LYS 89 18.019 27.219 18.896 1.00 1.00 ATOM 83 CA PHE 90 16.725 23.660 19.116 1.00 1.00 ATOM 84 CA ALA 91 14.026 21.448 17.621 1.00 1.00 ATOM 85 CA ASP 92 10.407 21.024 18.817 1.00 1.00 ATOM 86 CA GLU 93 10.842 17.908 20.948 1.00 1.00 ATOM 87 CA ASN 94 7.239 16.689 20.786 1.00 1.00 ATOM 88 CA PHE 95 3.708 18.062 21.047 1.00 1.00 ATOM 89 CA ILE 96 2.359 15.495 23.500 1.00 1.00 ATOM 90 CA LYS 97 1.081 18.007 26.087 1.00 1.00 ATOM 91 CA ARG 98 -1.506 20.668 25.363 1.00 1.00 ATOM 92 CA HIS 99 -2.389 24.198 26.478 1.00 1.00 ATOM 93 CA THR 100 -5.319 22.976 28.664 1.00 1.00 ATOM 94 CA GLY 101 -5.722 25.782 31.198 1.00 1.00 ATOM 95 CA PRO 102 -4.143 28.369 33.523 1.00 1.00 ATOM 96 CA GLY 103 -0.601 27.564 34.722 1.00 1.00 ATOM 97 CA ILE 104 0.739 25.839 31.585 1.00 1.00 ATOM 98 CA LEU 105 4.448 26.561 30.851 1.00 1.00 ATOM 99 CA SER 106 5.207 26.588 27.120 1.00 1.00 ATOM 100 CA MET 107 7.968 27.583 24.655 1.00 1.00 ATOM 101 CA ALA 108 7.830 30.773 22.581 1.00 1.00 ATOM 102 CA ASN 109 9.263 30.504 19.022 1.00 1.00 ATOM 103 CA ALA 110 9.437 32.019 15.532 1.00 1.00 ATOM 104 CA GLY 111 8.154 28.999 13.665 1.00 1.00 ATOM 105 CA ALA 112 8.974 25.260 13.522 1.00 1.00 ATOM 106 CA GLY 113 12.209 24.206 15.344 1.00 1.00 ATOM 107 CA THR 114 13.241 27.603 16.755 1.00 1.00 ATOM 108 CA ASN 115 13.231 27.077 20.528 1.00 1.00 ATOM 109 CA GLY 116 15.677 29.336 22.381 1.00 1.00 ATOM 110 CA SER 117 15.108 30.546 25.956 1.00 1.00 ATOM 111 CA GLN 118 11.819 32.482 25.729 1.00 1.00 ATOM 112 CA PHE 119 8.772 30.903 27.320 1.00 1.00 ATOM 113 CA PHE 120 5.268 31.884 28.405 1.00 1.00 ATOM 114 CA ILE 121 2.973 31.038 31.317 1.00 1.00 ATOM 115 CA CYS 122 -0.670 30.679 30.240 1.00 1.00 ATOM 116 CA THR 123 -3.395 32.291 32.357 1.00 1.00 ATOM 117 CA GLU 124 -6.129 30.705 30.226 1.00 1.00 ATOM 118 CA LYS 125 -6.644 27.632 28.024 1.00 1.00 ATOM 119 CA THR 126 -4.993 28.535 24.649 1.00 1.00 ATOM 120 CA GLU 127 -5.850 25.578 22.392 1.00 1.00 ATOM 121 CA TRP 128 -4.916 27.447 19.200 1.00 1.00 ATOM 122 CA LEU 129 -1.221 27.044 20.181 1.00 1.00 ATOM 123 CA ASP 130 -1.485 23.245 20.407 1.00 1.00 ATOM 124 CA GLY 131 0.947 21.538 18.061 1.00 1.00 ATOM 125 CA LYS 132 2.825 24.770 17.422 1.00 1.00 ATOM 126 CA HIS 133 4.370 25.426 20.880 1.00 1.00 ATOM 127 CA VAL 134 6.048 22.823 23.137 1.00 1.00 ATOM 128 CA VAL 135 4.353 22.575 26.569 1.00 1.00 ATOM 129 CA PHE 136 6.912 21.428 29.159 1.00 1.00 ATOM 130 CA GLY 137 5.851 22.302 32.689 1.00 1.00 ATOM 131 CA LYS 138 3.295 23.869 34.952 1.00 1.00 ATOM 132 CA VAL 139 2.908 26.248 37.899 1.00 1.00 ATOM 133 CA ILE 140 3.146 24.152 41.071 1.00 1.00 ATOM 134 CA GLU 141 2.759 26.936 43.655 1.00 1.00 ATOM 135 CA GLY 142 2.316 30.697 43.449 1.00 1.00 ATOM 136 CA MET 143 -0.391 30.883 40.774 1.00 1.00 ATOM 137 CA ASN 144 -1.597 33.862 42.800 1.00 1.00 ATOM 138 CA VAL 145 1.695 35.628 41.957 1.00 1.00 ATOM 139 CA VAL 146 1.099 34.987 38.256 1.00 1.00 ATOM 140 CA ARG 147 -2.395 36.545 38.625 1.00 1.00 ATOM 141 CA ASP 148 -0.860 39.572 40.360 1.00 1.00 ATOM 142 CA ILE 149 1.645 39.880 37.492 1.00 1.00 ATOM 143 CA GLU 150 -1.174 39.910 34.958 1.00 1.00 ATOM 144 CA LYS 151 -2.478 43.227 36.337 1.00 1.00 ATOM 145 CA VAL 152 0.562 45.040 34.928 1.00 1.00 ATOM 146 CA GLY 153 -0.089 43.823 31.403 1.00 1.00 ATOM 147 CA SER 154 -2.166 45.380 28.636 1.00 1.00 ATOM 148 CA GLY 155 -3.986 44.449 25.435 1.00 1.00 ATOM 149 CA SER 156 -0.927 45.134 23.256 1.00 1.00 ATOM 150 CA GLY 157 1.420 43.437 25.734 1.00 1.00 ATOM 151 CA LYS 158 3.247 46.490 27.147 1.00 1.00 ATOM 152 CA THR 159 3.730 46.266 30.914 1.00 1.00 ATOM 153 CA SER 160 3.041 49.215 33.256 1.00 1.00 ATOM 154 CA ARG 161 5.803 48.263 35.719 1.00 1.00 ATOM 155 CA PRO 162 9.078 46.413 35.204 1.00 1.00 ATOM 156 CA VAL 163 8.458 42.756 36.093 1.00 1.00 ATOM 157 CA THR 164 11.741 40.969 36.741 1.00 1.00 ATOM 158 CA ILE 165 13.012 37.567 37.824 1.00 1.00 ATOM 159 CA ALA 166 14.909 38.758 40.939 1.00 1.00 ATOM 160 CA ASP 167 16.247 35.304 41.758 1.00 1.00 ATOM 161 CA CYS 168 15.637 31.776 40.450 1.00 1.00 ATOM 162 CA GLY 169 17.012 28.321 41.035 1.00 1.00 ATOM 163 CA GLN 170 16.188 24.677 41.526 1.00 1.00 ATOM 164 CA LEU 171 14.294 23.368 44.553 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 11:25:29 2002 Date: Thu, 25 Jul 2002 11:25:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0144 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 25 10:57:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_702328_15170 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0144TS007_4 Current information on models submitted in prediction T0144TS007 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_4 PIN_702328_15170 6269-7633-6117 07/25/02 10:57:56 casp5@bialko.llnl.gov T0144TS007_3 PIN_700827_15169 6269-7633-6117 07/25/02 10:57:41 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 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 T0144 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_3 PIN_700827_15169 6269-7633-6117 07/25/02 10:57:41 casp5@bialko.llnl.gov T0144TS007_4 PIN_702328_15170 6269-7633-6117 07/25/02 10:57:56 casp5@bialko.llnl.gov T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1CWA_A # Loading PARENT structure: 1cwa (chain: A) # Number of residues in PARENT structure: 165 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue A 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue V 21 # IMPORTANT NOTE! Not complete main chain atoms for residue M 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue P 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue P 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue H 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue G 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue N 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue W 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue G 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue H 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue M 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue V 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue R 147 # IMPORTANT NOTE! Not complete main chain atoms for residue D 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue K 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue S 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue D 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0144 # Total number of residues in target: 172 # Total number of residues in model: 164 # Total number of atoms in model: 164 # Number of atoms with 1.0 occupancy: 164 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 164 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0144 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1CWA_A ATOM 1 CA MET 1 13.292 9.390 38.316 1.00 1.00 ATOM 2 CA SER 2 11.496 12.430 39.581 1.00 1.00 ATOM 3 CA ASN 3 10.582 15.401 37.419 1.00 1.00 ATOM 4 CA PRO 4 12.558 18.514 38.341 1.00 1.00 ATOM 5 CA LYS 5 10.896 21.377 40.219 1.00 1.00 ATOM 6 CA VAL 6 12.219 24.913 39.543 1.00 1.00 ATOM 7 CA PHE 7 11.222 28.262 41.072 1.00 1.00 ATOM 8 CA PHE 8 11.250 31.868 40.144 1.00 1.00 ATOM 9 CA ASP 9 10.969 34.757 42.652 1.00 1.00 ATOM 10 CA MET 10 9.193 37.545 40.823 1.00 1.00 ATOM 11 CA ALA 11 9.720 41.223 41.582 1.00 1.00 ATOM 12 CA ILE 12 7.695 44.197 40.348 1.00 1.00 ATOM 13 CA ALA 13 9.926 47.264 39.952 1.00 1.00 ATOM 14 CA GLY 14 12.349 45.637 42.347 1.00 1.00 ATOM 15 CA ASN 15 9.673 44.967 45.035 1.00 1.00 ATOM 16 CA PRO 16 9.413 41.178 45.760 1.00 1.00 ATOM 17 CA ALA 17 6.067 39.694 44.765 1.00 1.00 ATOM 18 CA GLY 18 6.442 36.016 45.490 1.00 1.00 ATOM 19 CA ARG 19 7.599 32.638 44.407 1.00 1.00 ATOM 20 CA ILE 20 6.242 30.503 41.559 1.00 1.00 ATOM 21 CA VAL 21 7.400 26.973 41.305 1.00 1.00 ATOM 22 CA MET 22 7.094 24.716 38.260 1.00 1.00 ATOM 23 CA GLU 23 7.068 21.017 37.700 1.00 1.00 ATOM 24 CA LEU 24 8.958 20.228 34.388 1.00 1.00 ATOM 25 CA TYR 25 7.795 17.153 32.479 1.00 1.00 ATOM 26 CA ALA 26 11.237 15.614 31.931 1.00 1.00 ATOM 27 CA ASP 27 9.701 12.176 31.649 1.00 1.00 ATOM 28 CA THR 28 7.856 13.347 28.480 1.00 1.00 ATOM 29 CA THR 29 10.043 16.111 27.015 1.00 1.00 ATOM 30 CA PRO 30 13.556 15.522 28.469 1.00 1.00 ATOM 31 CA ARG 31 15.463 17.859 26.188 1.00 1.00 ATOM 32 CA THR 32 13.026 20.786 26.569 1.00 1.00 ATOM 33 CA ALA 33 12.716 20.302 30.364 1.00 1.00 ATOM 34 CA GLU 34 16.542 20.078 30.686 1.00 1.00 ATOM 35 CA ASN 35 16.966 23.291 28.763 1.00 1.00 ATOM 36 CA PHE 36 14.601 25.232 31.138 1.00 1.00 ATOM 37 CA ARG 37 16.077 23.614 34.293 1.00 1.00 ATOM 38 CA ALA 38 19.711 24.488 33.377 1.00 1.00 ATOM 39 CA LEU 39 18.680 28.053 32.401 1.00 1.00 ATOM 40 CA CYS 40 16.955 28.427 35.805 1.00 1.00 ATOM 41 CA THR 41 20.098 27.349 37.816 1.00 1.00 ATOM 42 CA GLY 42 22.365 29.459 35.522 1.00 1.00 ATOM 43 CA GLU 43 24.868 26.538 35.490 1.00 1.00 ATOM 44 CA LYS 51 26.122 27.088 31.913 1.00 1.00 ATOM 45 CA PRO 52 27.059 30.689 32.748 1.00 1.00 ATOM 46 CA LEU 53 23.849 32.317 31.422 1.00 1.00 ATOM 47 CA HIS 54 20.126 32.022 32.251 1.00 1.00 ATOM 48 CA TYR 55 16.935 33.514 33.544 1.00 1.00 ATOM 49 CA LYS 56 18.113 35.223 36.806 1.00 1.00 ATOM 50 CA GLY 57 17.616 38.946 36.405 1.00 1.00 ATOM 51 CA SER 58 15.547 38.686 33.145 1.00 1.00 ATOM 52 CA THR 59 12.011 40.075 32.646 1.00 1.00 ATOM 53 CA PHE 60 8.539 39.095 31.410 1.00 1.00 ATOM 54 CA HIS 61 8.455 41.425 28.439 1.00 1.00 ATOM 55 CA ARG 62 4.971 40.663 27.138 1.00 1.00 ATOM 56 CA VAL 63 1.969 39.941 29.389 1.00 1.00 ATOM 57 CA ILE 64 -1.524 39.828 27.931 1.00 1.00 ATOM 58 CA PRO 65 -4.280 39.442 30.671 1.00 1.00 ATOM 59 CA ASN 66 -6.459 36.358 29.978 1.00 1.00 ATOM 60 CA PHE 67 -3.856 34.810 27.652 1.00 1.00 ATOM 61 CA MET 68 -0.273 34.341 29.007 1.00 1.00 ATOM 62 CA CYS 69 2.875 35.922 30.468 1.00 1.00 ATOM 63 CA GLN 70 5.988 35.596 28.232 1.00 1.00 ATOM 64 CA GLY 71 9.683 35.811 29.219 1.00 1.00 ATOM 65 CA GLY 72 13.048 34.186 28.828 1.00 1.00 ATOM 66 CA ASP 73 14.768 36.756 26.575 1.00 1.00 ATOM 67 CA PHE 74 17.854 37.150 28.795 1.00 1.00 ATOM 68 CA THR 75 20.021 38.641 25.959 1.00 1.00 ATOM 69 CA ALA 76 17.893 41.352 24.394 1.00 1.00 ATOM 70 CA GLY 77 14.996 41.521 26.933 1.00 1.00 ATOM 71 CA ASN 78 12.490 42.356 24.152 1.00 1.00 ATOM 72 CA GLY 79 11.424 39.066 22.496 1.00 1.00 ATOM 73 CA THR 80 14.215 38.983 19.861 1.00 1.00 ATOM 74 CA GLY 81 16.994 37.142 21.787 1.00 1.00 ATOM 75 CA ALA 82 17.862 34.407 24.266 1.00 1.00 ATOM 76 CA GLU 83 19.239 30.960 23.289 1.00 1.00 ATOM 77 CA SER 84 19.148 27.385 24.437 1.00 1.00 ATOM 78 CA ILE 85 21.866 25.435 26.332 1.00 1.00 ATOM 79 CA TYR 86 22.297 23.403 23.093 1.00 1.00 ATOM 80 CA GLY 87 23.223 26.275 20.780 1.00 1.00 ATOM 81 CA ALA 88 20.984 29.234 19.644 1.00 1.00 ATOM 82 CA LYS 89 17.909 27.081 18.742 1.00 1.00 ATOM 83 CA PHE 90 16.718 23.440 18.975 1.00 1.00 ATOM 84 CA ALA 91 14.003 21.253 17.548 1.00 1.00 ATOM 85 CA ASP 92 10.356 20.737 18.547 1.00 1.00 ATOM 86 CA GLU 93 10.788 17.681 20.635 1.00 1.00 ATOM 87 CA ASN 94 7.194 16.447 20.485 1.00 1.00 ATOM 88 CA PHE 95 3.678 17.817 20.906 1.00 1.00 ATOM 89 CA ILE 96 2.331 15.097 23.242 1.00 1.00 ATOM 90 CA LYS 97 1.013 17.659 25.760 1.00 1.00 ATOM 91 CA ARG 98 -1.583 20.353 25.124 1.00 1.00 ATOM 92 CA HIS 99 -2.412 23.852 26.370 1.00 1.00 ATOM 93 CA THR 100 -5.324 22.572 28.468 1.00 1.00 ATOM 94 CA GLY 101 -5.786 25.466 30.942 1.00 1.00 ATOM 95 CA PRO 102 -4.106 28.073 33.267 1.00 1.00 ATOM 96 CA GLY 103 -0.606 27.090 34.526 1.00 1.00 ATOM 97 CA ILE 104 0.711 25.388 31.372 1.00 1.00 ATOM 98 CA LEU 105 4.352 26.167 30.730 1.00 1.00 ATOM 99 CA SER 106 5.154 26.207 27.011 1.00 1.00 ATOM 100 CA MET 107 7.942 27.271 24.604 1.00 1.00 ATOM 101 CA ALA 108 7.628 30.453 22.604 1.00 1.00 ATOM 102 CA ASN 109 9.216 30.214 19.094 1.00 1.00 ATOM 103 CA ALA 110 9.379 31.710 15.583 1.00 1.00 ATOM 104 CA GLY 111 8.189 28.666 13.633 1.00 1.00 ATOM 105 CA ALA 112 8.992 24.931 13.493 1.00 1.00 ATOM 106 CA GLY 113 12.231 23.927 15.272 1.00 1.00 ATOM 107 CA THR 114 13.164 27.389 16.617 1.00 1.00 ATOM 108 CA ASN 115 13.174 26.769 20.404 1.00 1.00 ATOM 109 CA GLY 116 15.621 29.063 22.293 1.00 1.00 ATOM 110 CA SER 117 14.982 30.241 25.873 1.00 1.00 ATOM 111 CA GLN 118 11.689 32.154 25.606 1.00 1.00 ATOM 112 CA PHE 119 8.658 30.544 27.205 1.00 1.00 ATOM 113 CA PHE 120 5.159 31.562 28.280 1.00 1.00 ATOM 114 CA ILE 121 2.915 30.665 31.196 1.00 1.00 ATOM 115 CA CYS 122 -0.697 30.229 30.156 1.00 1.00 ATOM 116 CA THR 123 -3.449 31.865 32.192 1.00 1.00 ATOM 117 CA GLU 124 -6.203 30.190 30.128 1.00 1.00 ATOM 118 CA LYS 125 -6.749 27.260 27.814 1.00 1.00 ATOM 119 CA THR 126 -5.092 28.241 24.487 1.00 1.00 ATOM 120 CA GLU 127 -5.933 25.197 22.271 1.00 1.00 ATOM 121 CA TRP 128 -4.976 27.099 19.112 1.00 1.00 ATOM 122 CA LEU 129 -1.283 26.729 20.018 1.00 1.00 ATOM 123 CA ASP 130 -1.475 22.929 20.255 1.00 1.00 ATOM 124 CA GLY 131 0.708 21.212 17.739 1.00 1.00 ATOM 125 CA LYS 132 2.785 24.432 17.338 1.00 1.00 ATOM 126 CA HIS 133 4.330 25.121 20.813 1.00 1.00 ATOM 127 CA VAL 134 5.863 22.399 22.969 1.00 1.00 ATOM 128 CA VAL 135 4.249 22.125 26.442 1.00 1.00 ATOM 129 CA PHE 136 6.871 21.056 28.968 1.00 1.00 ATOM 130 CA GLY 137 5.719 21.940 32.496 1.00 1.00 ATOM 131 CA LYS 138 3.084 23.408 34.751 1.00 1.00 ATOM 132 CA VAL 139 2.802 25.836 37.686 1.00 1.00 ATOM 133 CA ILE 140 2.895 23.697 40.836 1.00 1.00 ATOM 134 CA GLU 141 2.470 26.464 43.487 1.00 1.00 ATOM 135 CA GLY 142 2.182 30.234 43.150 1.00 1.00 ATOM 136 CA MET 143 -0.603 30.479 40.502 1.00 1.00 ATOM 137 CA ASN 144 -1.778 33.448 42.573 1.00 1.00 ATOM 138 CA VAL 145 1.607 35.123 41.889 1.00 1.00 ATOM 139 CA VAL 146 1.028 34.578 38.102 1.00 1.00 ATOM 140 CA ARG 147 -2.422 36.198 38.496 1.00 1.00 ATOM 141 CA ASP 148 -0.951 39.170 40.317 1.00 1.00 ATOM 142 CA ILE 149 1.543 39.463 37.421 1.00 1.00 ATOM 143 CA GLU 150 -1.243 39.753 34.781 1.00 1.00 ATOM 144 CA LYS 151 -2.512 42.947 36.308 1.00 1.00 ATOM 145 CA VAL 152 0.565 44.747 34.956 1.00 1.00 ATOM 146 CA GLY 153 0.049 43.690 31.296 1.00 1.00 ATOM 147 CA SER 154 -2.218 45.034 28.571 1.00 1.00 ATOM 148 CA GLY 155 -4.060 43.864 25.439 1.00 1.00 ATOM 149 CA SER 156 -1.032 44.866 23.406 1.00 1.00 ATOM 150 CA GLY 157 1.379 42.949 25.764 1.00 1.00 ATOM 151 CA LYS 158 3.423 45.812 27.250 1.00 1.00 ATOM 152 CA THR 159 3.702 45.850 31.001 1.00 1.00 ATOM 153 CA SER 160 3.023 48.998 33.189 1.00 1.00 ATOM 154 CA ARG 161 5.778 47.856 35.607 1.00 1.00 ATOM 155 CA PRO 162 9.044 45.914 34.976 1.00 1.00 ATOM 156 CA VAL 163 8.423 42.359 36.124 1.00 1.00 ATOM 157 CA THR 164 11.648 40.475 36.693 1.00 1.00 ATOM 158 CA ILE 165 12.854 37.116 37.800 1.00 1.00 ATOM 159 CA ALA 166 14.794 38.367 40.886 1.00 1.00 ATOM 160 CA ASP 167 16.084 34.845 41.584 1.00 1.00 ATOM 161 CA CYS 168 15.461 31.297 40.331 1.00 1.00 ATOM 162 CA GLY 169 16.992 27.829 40.698 1.00 1.00 ATOM 163 CA GLN 170 16.019 24.225 41.222 1.00 1.00 ATOM 164 CA LEU 171 14.262 22.846 44.347 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 11:25:39 2002 Date: Thu, 25 Jul 2002 11:25:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0144 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 25 10:58:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_707829_15171 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0144TS007_5 Current information on models submitted in prediction T0144TS007 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_5 PIN_707829_15171 6269-7633-6117 07/25/02 10:58:11 casp5@bialko.llnl.gov T0144TS007_4 PIN_702328_15170 6269-7633-6117 07/25/02 10:57:56 casp5@bialko.llnl.gov T0144TS007_3 PIN_700827_15169 6269-7633-6117 07/25/02 10:57:41 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 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 T0144 MODEL_INDEX PIN CODE DATE E-mail T0144TS007_1 PIN_697525_15167 6269-7633-6117 07/25/02 10:57:08 casp5@bialko.llnl.gov T0144TS007_2 PIN_698892_15168 6269-7633-6117 07/25/02 10:57:23 casp5@bialko.llnl.gov T0144TS007_3 PIN_700827_15169 6269-7633-6117 07/25/02 10:57:41 casp5@bialko.llnl.gov T0144TS007_4 PIN_702328_15170 6269-7633-6117 07/25/02 10:57:56 casp5@bialko.llnl.gov T0144TS007_5 PIN_707829_15171 6269-7633-6117 07/25/02 10:58:11 casp5@bialko.llnl.gov T0144SS007_1 PIN_129525_11311 6269-7633-6117 06/28/02 09:01:35 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 T0144 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1CWB_A # Loading PARENT structure: 1cwb (chain: A) # Number of residues in PARENT structure: 165 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue F 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue A 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue V 21 # IMPORTANT NOTE! Not complete main chain atoms for residue M 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue P 30 # IMPORTANT NOTE! Not complete main chain atoms for residue R 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue A 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue C 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue P 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue H 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue R 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue M 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue D 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue H 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue G 101 # IMPORTANT NOTE! Not complete main chain atoms for residue P 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue N 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 118 # IMPORTANT NOTE! Not complete main chain atoms for residue F 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue W 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue D 130 # IMPORTANT NOTE! Not complete main chain atoms for residue G 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue H 133 # IMPORTANT NOTE! Not complete main chain atoms for residue V 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue M 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue V 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue R 147 # IMPORTANT NOTE! Not complete main chain atoms for residue D 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue K 151 # IMPORTANT NOTE! Not complete main chain atoms for residue V 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue S 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue S 156 # IMPORTANT NOTE! Not complete main chain atoms for residue G 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue T 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue D 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue G 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue L 171 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0144 # Total number of residues in target: 172 # Total number of residues in model: 164 # Total number of atoms in model: 164 # Number of atoms with 1.0 occupancy: 164 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 164 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0144 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1CWB_A ATOM 1 CA MET 1 13.167 9.570 38.605 1.00 1.00 ATOM 2 CA SER 2 11.524 12.817 39.776 1.00 1.00 ATOM 3 CA ASN 3 10.557 15.852 37.728 1.00 1.00 ATOM 4 CA PRO 4 12.572 18.966 38.598 1.00 1.00 ATOM 5 CA LYS 5 10.954 21.825 40.493 1.00 1.00 ATOM 6 CA VAL 6 12.338 25.225 39.601 1.00 1.00 ATOM 7 CA PHE 7 11.366 28.630 41.104 1.00 1.00 ATOM 8 CA PHE 8 11.331 32.245 40.033 1.00 1.00 ATOM 9 CA ASP 9 11.134 35.104 42.593 1.00 1.00 ATOM 10 CA MET 10 9.265 37.910 40.778 1.00 1.00 ATOM 11 CA ALA 11 9.809 41.670 41.514 1.00 1.00 ATOM 12 CA ILE 12 7.856 44.620 40.113 1.00 1.00 ATOM 13 CA ALA 13 10.117 47.698 39.849 1.00 1.00 ATOM 14 CA GLY 14 12.593 46.176 42.242 1.00 1.00 ATOM 15 CA ASN 15 9.846 45.410 44.835 1.00 1.00 ATOM 16 CA PRO 16 9.535 41.665 45.573 1.00 1.00 ATOM 17 CA ALA 17 6.144 40.200 44.690 1.00 1.00 ATOM 18 CA GLY 18 6.583 36.488 45.491 1.00 1.00 ATOM 19 CA ARG 19 7.612 33.026 44.387 1.00 1.00 ATOM 20 CA ILE 20 6.214 30.921 41.543 1.00 1.00 ATOM 21 CA VAL 21 7.219 27.244 41.565 1.00 1.00 ATOM 22 CA MET 22 7.155 25.148 38.379 1.00 1.00 ATOM 23 CA GLU 23 7.071 21.452 37.718 1.00 1.00 ATOM 24 CA LEU 24 9.034 20.562 34.561 1.00 1.00 ATOM 25 CA TYR 25 7.886 17.476 32.633 1.00 1.00 ATOM 26 CA ALA 26 11.392 15.980 32.090 1.00 1.00 ATOM 27 CA ASP 27 9.670 12.619 31.792 1.00 1.00 ATOM 28 CA THR 28 7.843 13.835 28.626 1.00 1.00 ATOM 29 CA THR 29 10.108 16.472 27.134 1.00 1.00 ATOM 30 CA PRO 30 13.563 15.798 28.729 1.00 1.00 ATOM 31 CA ARG 31 15.584 18.108 26.468 1.00 1.00 ATOM 32 CA THR 32 13.153 21.159 26.687 1.00 1.00 ATOM 33 CA ALA 33 12.843 20.670 30.462 1.00 1.00 ATOM 34 CA GLU 34 16.680 20.440 30.866 1.00 1.00 ATOM 35 CA ASN 35 17.200 23.672 28.888 1.00 1.00 ATOM 36 CA PHE 36 14.757 25.540 31.191 1.00 1.00 ATOM 37 CA ARG 37 16.257 23.912 34.352 1.00 1.00 ATOM 38 CA ALA 38 19.898 24.791 33.449 1.00 1.00 ATOM 39 CA LEU 39 18.904 28.402 32.438 1.00 1.00 ATOM 40 CA CYS 40 17.201 28.711 35.833 1.00 1.00 ATOM 41 CA THR 41 20.346 27.634 37.771 1.00 1.00 ATOM 42 CA GLY 42 22.653 29.764 35.541 1.00 1.00 ATOM 43 CA GLU 43 25.160 26.853 35.591 1.00 1.00 ATOM 44 CA LYS 51 26.360 27.305 31.969 1.00 1.00 ATOM 45 CA PRO 52 27.413 30.892 32.721 1.00 1.00 ATOM 46 CA LEU 53 24.156 32.509 31.464 1.00 1.00 ATOM 47 CA HIS 54 20.383 32.355 32.311 1.00 1.00 ATOM 48 CA TYR 55 17.156 33.835 33.525 1.00 1.00 ATOM 49 CA LYS 56 18.229 35.697 36.723 1.00 1.00 ATOM 50 CA GLY 57 17.885 39.483 36.326 1.00 1.00 ATOM 51 CA SER 58 15.785 39.151 33.073 1.00 1.00 ATOM 52 CA THR 59 12.212 40.358 32.490 1.00 1.00 ATOM 53 CA PHE 60 8.713 39.504 31.349 1.00 1.00 ATOM 54 CA HIS 61 8.639 41.615 28.217 1.00 1.00 ATOM 55 CA ARG 62 5.102 40.859 27.016 1.00 1.00 ATOM 56 CA VAL 63 2.018 40.275 29.237 1.00 1.00 ATOM 57 CA ILE 64 -1.530 40.085 27.862 1.00 1.00 ATOM 58 CA PRO 65 -4.271 39.665 30.610 1.00 1.00 ATOM 59 CA ASN 66 -6.481 36.561 30.030 1.00 1.00 ATOM 60 CA PHE 67 -3.889 35.143 27.620 1.00 1.00 ATOM 61 CA MET 68 -0.271 34.732 28.871 1.00 1.00 ATOM 62 CA CYS 69 2.963 36.198 30.371 1.00 1.00 ATOM 63 CA GLN 70 6.055 35.921 28.070 1.00 1.00 ATOM 64 CA GLY 71 9.748 36.050 29.221 1.00 1.00 ATOM 65 CA GLY 72 13.168 34.431 28.758 1.00 1.00 ATOM 66 CA ASP 73 14.948 36.989 26.500 1.00 1.00 ATOM 67 CA PHE 74 18.111 37.335 28.638 1.00 1.00 ATOM 68 CA THR 75 20.288 38.742 25.810 1.00 1.00 ATOM 69 CA ALA 76 18.189 41.480 24.139 1.00 1.00 ATOM 70 CA GLY 77 15.295 41.758 26.694 1.00 1.00 ATOM 71 CA ASN 78 12.743 42.574 24.039 1.00 1.00 ATOM 72 CA GLY 79 11.648 39.416 22.298 1.00 1.00 ATOM 73 CA THR 80 14.522 39.143 19.782 1.00 1.00 ATOM 74 CA GLY 81 17.240 37.293 21.723 1.00 1.00 ATOM 75 CA ALA 82 17.986 34.465 24.114 1.00 1.00 ATOM 76 CA GLU 83 19.586 31.077 23.285 1.00 1.00 ATOM 77 CA SER 84 19.397 27.530 24.478 1.00 1.00 ATOM 78 CA ILE 85 22.052 25.570 26.448 1.00 1.00 ATOM 79 CA TYR 86 22.469 23.581 23.206 1.00 1.00 ATOM 80 CA GLY 87 23.449 26.438 20.860 1.00 1.00 ATOM 81 CA ALA 88 21.213 29.302 19.615 1.00 1.00 ATOM 82 CA LYS 89 18.125 27.146 18.792 1.00 1.00 ATOM 83 CA PHE 90 16.881 23.559 19.061 1.00 1.00 ATOM 84 CA ALA 91 14.157 21.323 17.665 1.00 1.00 ATOM 85 CA ASP 92 10.515 20.950 18.660 1.00 1.00 ATOM 86 CA GLU 93 10.921 17.901 20.809 1.00 1.00 ATOM 87 CA ASN 94 7.279 16.740 20.648 1.00 1.00 ATOM 88 CA PHE 95 3.718 18.049 21.051 1.00 1.00 ATOM 89 CA ILE 96 2.342 15.379 23.422 1.00 1.00 ATOM 90 CA LYS 97 0.973 17.976 25.900 1.00 1.00 ATOM 91 CA ARG 98 -1.628 20.634 25.134 1.00 1.00 ATOM 92 CA HIS 99 -2.506 24.105 26.375 1.00 1.00 ATOM 93 CA THR 100 -5.367 22.935 28.529 1.00 1.00 ATOM 94 CA GLY 101 -5.860 25.773 31.045 1.00 1.00 ATOM 95 CA PRO 102 -4.225 28.359 33.381 1.00 1.00 ATOM 96 CA GLY 103 -0.701 27.517 34.634 1.00 1.00 ATOM 97 CA ILE 104 0.702 25.782 31.476 1.00 1.00 ATOM 98 CA LEU 105 4.357 26.549 30.732 1.00 1.00 ATOM 99 CA SER 106 5.220 26.466 27.067 1.00 1.00 ATOM 100 CA MET 107 7.968 27.550 24.616 1.00 1.00 ATOM 101 CA ALA 108 7.801 30.625 22.501 1.00 1.00 ATOM 102 CA ASN 109 9.465 30.371 18.996 1.00 1.00 ATOM 103 CA ALA 110 9.819 31.867 15.544 1.00 1.00 ATOM 104 CA GLY 111 8.341 28.894 13.714 1.00 1.00 ATOM 105 CA ALA 112 9.159 25.116 13.533 1.00 1.00 ATOM 106 CA GLY 113 12.380 23.991 15.353 1.00 1.00 ATOM 107 CA THR 114 13.423 27.412 16.689 1.00 1.00 ATOM 108 CA ASN 115 13.356 26.960 20.471 1.00 1.00 ATOM 109 CA GLY 116 15.887 29.123 22.408 1.00 1.00 ATOM 110 CA SER 117 15.024 30.374 25.941 1.00 1.00 ATOM 111 CA GLN 118 11.810 32.406 25.570 1.00 1.00 ATOM 112 CA PHE 119 8.725 30.903 27.246 1.00 1.00 ATOM 113 CA PHE 120 5.220 31.767 28.306 1.00 1.00 ATOM 114 CA ILE 121 2.951 31.003 31.203 1.00 1.00 ATOM 115 CA CYS 122 -0.656 30.539 30.121 1.00 1.00 ATOM 116 CA THR 123 -3.422 32.285 31.998 1.00 1.00 ATOM 117 CA GLU 124 -6.258 30.489 30.100 1.00 1.00 ATOM 118 CA LYS 125 -6.809 27.475 27.851 1.00 1.00 ATOM 119 CA THR 126 -5.133 28.446 24.542 1.00 1.00 ATOM 120 CA GLU 127 -5.995 25.425 22.379 1.00 1.00 ATOM 121 CA TRP 128 -5.003 27.260 19.162 1.00 1.00 ATOM 122 CA LEU 129 -1.343 26.933 20.155 1.00 1.00 ATOM 123 CA ASP 130 -1.439 23.093 20.298 1.00 1.00 ATOM 124 CA GLY 131 0.866 21.354 17.868 1.00 1.00 ATOM 125 CA LYS 132 2.747 24.643 17.393 1.00 1.00 ATOM 126 CA HIS 133 4.368 25.385 20.808 1.00 1.00 ATOM 127 CA VAL 134 5.980 22.681 23.023 1.00 1.00 ATOM 128 CA VAL 135 4.287 22.474 26.489 1.00 1.00 ATOM 129 CA PHE 136 6.899 21.322 29.014 1.00 1.00 ATOM 130 CA GLY 137 5.833 22.327 32.544 1.00 1.00 ATOM 131 CA LYS 138 3.153 23.751 34.793 1.00 1.00 ATOM 132 CA VAL 139 2.810 26.192 37.704 1.00 1.00 ATOM 133 CA ILE 140 2.956 24.096 40.858 1.00 1.00 ATOM 134 CA GLU 141 2.678 26.875 43.512 1.00 1.00 ATOM 135 CA GLY 142 2.170 30.627 43.321 1.00 1.00 ATOM 136 CA MET 143 -0.472 30.881 40.491 1.00 1.00 ATOM 137 CA ASN 144 -1.695 33.841 42.541 1.00 1.00 ATOM 138 CA VAL 145 1.658 35.618 41.834 1.00 1.00 ATOM 139 CA VAL 146 1.046 35.075 38.026 1.00 1.00 ATOM 140 CA ARG 147 -2.456 36.565 38.438 1.00 1.00 ATOM 141 CA ASP 148 -0.940 39.597 40.183 1.00 1.00 ATOM 142 CA ILE 149 1.591 39.870 37.274 1.00 1.00 ATOM 143 CA GLU 150 -1.162 40.095 34.661 1.00 1.00 ATOM 144 CA LYS 151 -2.475 43.256 36.191 1.00 1.00 ATOM 145 CA VAL 152 0.579 45.174 34.773 1.00 1.00 ATOM 146 CA GLY 153 -0.010 43.869 31.233 1.00 1.00 ATOM 147 CA SER 154 -2.099 45.258 28.404 1.00 1.00 ATOM 148 CA GLY 155 -4.042 44.117 25.345 1.00 1.00 ATOM 149 CA SER 156 -0.945 44.934 23.274 1.00 1.00 ATOM 150 CA GLY 157 1.602 43.210 25.557 1.00 1.00 ATOM 151 CA LYS 158 3.352 46.282 26.984 1.00 1.00 ATOM 152 CA THR 159 3.767 46.143 30.753 1.00 1.00 ATOM 153 CA SER 160 3.167 49.286 32.942 1.00 1.00 ATOM 154 CA ARG 161 5.824 48.164 35.432 1.00 1.00 ATOM 155 CA PRO 162 9.166 46.265 34.974 1.00 1.00 ATOM 156 CA VAL 163 8.460 42.681 35.915 1.00 1.00 ATOM 157 CA THR 164 11.742 40.923 36.728 1.00 1.00 ATOM 158 CA ILE 165 13.011 37.482 37.719 1.00 1.00 ATOM 159 CA ALA 166 15.010 38.645 40.752 1.00 1.00 ATOM 160 CA ASP 167 16.338 35.193 41.542 1.00 1.00 ATOM 161 CA CYS 168 15.661 31.657 40.325 1.00 1.00 ATOM 162 CA GLY 169 17.086 28.219 40.857 1.00 1.00 ATOM 163 CA GLN 170 16.145 24.691 41.424 1.00 1.00 ATOM 164 CA LEU 171 14.291 23.451 44.511 1.00 1.00 TER END ################################ # # # END # # # ################################