From mailer@bialko.llnl.gov Fri Jul 5 11:16:49 2002 Date: Fri, 5 Jul 2002 11:16:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 5 10:49:53 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_612760_11795 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147SS007_1 Current information on models submitted in prediction T0147SS007 MODEL_INDEX PIN CODE DATE E-mail T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 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: 245 # Number of residues with nonzero confidence: 245 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0147 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-24484.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-6791//target-align-6791.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 60.2492 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-24484.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc32.13695/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: Wed Jul 3 17:55:43 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-6791//target-align-6791.a2m METHOD METHOD guide seq name: seed-seqs-24484.a2m(1), 245 bases, 82DCB3E5 checksum. METHOD ###end 0 MODEL 1 M C 0.568 Y C 0.46 P E 0.427 V E 0.442 D E 0.411 L E 0.419 H E 0.44 M E 0.471 H E 0.425 T C 0.418 V C 0.41 A C 0.464 S C 0.613 T C 0.655 H C 0.673 A C 0.602 Y C 0.581 S C 0.564 T C 0.583 L H 0.723 S H 0.787 D H 0.806 Y H 0.807 I H 0.818 A H 0.826 Q H 0.82 A H 0.806 K H 0.791 Q H 0.773 K H 0.629 G C 0.665 I C 0.651 K C 0.411 L E 0.614 F E 0.66 A E 0.639 I E 0.609 T E 0.465 D C 0.575 H C 0.607 G C 0.611 P C 0.556 D C 0.531 M C 0.566 E C 0.605 D H 0.609 A H 0.679 P H 0.71 H H 0.733 H H 0.751 W H 0.756 H H 0.744 F H 0.739 I H 0.734 N H 0.723 M H 0.672 R H 0.719 I H 0.714 W H 0.684 P H 0.643 R H 0.605 V H 0.549 V C 0.499 D C 0.553 G C 0.61 V C 0.406 G E 0.537 I E 0.613 L E 0.589 R E 0.53 G E 0.5 I E 0.534 E E 0.566 A E 0.576 N E 0.542 I E 0.507 K C 0.396 N C 0.519 V C 0.611 D C 0.628 G C 0.598 E C 0.412 I E 0.425 D E 0.41 C C 0.365 S C 0.465 G C 0.443 K H 0.524 M H 0.567 F H 0.556 D H 0.51 S H 0.435 L C 0.524 D C 0.554 L E 0.529 I E 0.611 I E 0.629 A E 0.584 G E 0.522 F E 0.446 H C 0.442 E C 0.488 P C 0.539 V C 0.543 F C 0.557 A C 0.555 P C 0.466 H H 0.582 D H 0.585 K H 0.626 A H 0.66 T H 0.669 N H 0.708 T H 0.732 Q H 0.749 A H 0.734 M H 0.725 I H 0.721 A H 0.711 T H 0.697 I H 0.674 A H 0.639 S H 0.511 G C 0.651 N C 0.633 V C 0.431 H E 0.481 I E 0.583 I E 0.574 S E 0.472 H C 0.537 P C 0.611 G C 0.601 N C 0.547 P C 0.512 K C 0.464 Y C 0.455 E C 0.488 I C 0.48 D H 0.467 V H 0.733 K H 0.77 A H 0.783 V H 0.777 A H 0.79 E H 0.793 A H 0.789 A H 0.768 A H 0.729 K H 0.668 H C 0.575 Q C 0.607 V C 0.418 A E 0.537 L E 0.583 E E 0.572 I E 0.556 N E 0.443 N C 0.524 S C 0.608 S C 0.562 F C 0.486 L C 0.466 H C 0.495 S C 0.572 R C 0.521 K C 0.537 G C 0.545 S C 0.495 E C 0.442 D C 0.439 N H 0.485 C H 0.554 R H 0.725 E H 0.745 V H 0.755 A H 0.76 A H 0.76 A H 0.751 V H 0.733 R H 0.714 D H 0.705 A H 0.554 G C 0.644 G C 0.608 W E 0.456 V E 0.621 A E 0.612 L E 0.547 G C 0.54 S C 0.654 D C 0.678 S C 0.607 H C 0.583 T C 0.573 A C 0.524 F C 0.482 T C 0.453 M H 0.475 G H 0.504 E H 0.551 F H 0.637 E H 0.664 E H 0.665 C H 0.646 L H 0.676 K H 0.671 I H 0.671 L H 0.66 D H 0.641 A H 0.617 V H 0.496 D C 0.652 F C 0.652 P C 0.669 P H 0.52 E H 0.584 R H 0.59 I H 0.579 L H 0.595 N H 0.581 V H 0.586 S H 0.562 P H 0.576 R H 0.653 R H 0.619 L H 0.637 L H 0.624 N H 0.605 F H 0.595 L H 0.614 E H 0.611 S H 0.587 R H 0.497 G C 0.596 M C 0.587 A C 0.591 P C 0.596 I C 0.562 A C 0.503 E C 0.439 F C 0.407 A C 0.411 D C 0.439 L C 0.568 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:35:19 2002 Date: Tue, 30 Jul 2002 02:35:14 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:07:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_202045_16731 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS007_3 Current information on models submitted in prediction T0147TS007 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 casp5@bialko.llnl.gov T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1DJU_B # Loading PARENT structure: 1dju (chain: B) # Number of residues in PARENT structure: 373 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue N 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue N 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue K 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue I 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 153 # Total number of atoms in model: 153 # Number of atoms with 1.0 occupancy: 153 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 153 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1DJU_B ATOM 44 CA LEU 20 38.200 87.543 41.129 1.00 1.00 ATOM 45 CA SER 21 40.475 86.279 43.888 1.00 1.00 ATOM 46 CA ASP 22 38.167 87.822 46.503 1.00 1.00 ATOM 47 CA TYR 23 35.080 86.291 44.926 1.00 1.00 ATOM 48 CA ILE 24 36.924 82.916 45.412 1.00 1.00 ATOM 49 CA ALA 25 37.661 83.657 49.081 1.00 1.00 ATOM 50 CA GLN 26 34.018 84.557 49.608 1.00 1.00 ATOM 51 CA ALA 27 32.772 81.289 48.017 1.00 1.00 ATOM 52 CA LYS 28 35.109 79.528 50.441 1.00 1.00 ATOM 53 CA GLN 29 33.595 81.326 53.434 1.00 1.00 ATOM 54 CA LYS 30 30.138 80.492 52.138 1.00 1.00 ATOM 55 CA GLY 31 31.045 76.768 52.288 1.00 1.00 ATOM 56 CA ILE 32 31.038 76.101 48.543 1.00 1.00 ATOM 57 CA LYS 33 33.256 73.157 49.150 1.00 1.00 ATOM 58 CA LEU 34 31.177 70.093 48.261 1.00 1.00 ATOM 59 CA PHE 35 30.626 68.257 44.876 1.00 1.00 ATOM 60 CA GLY 41 28.628 70.071 42.269 1.00 1.00 ATOM 61 CA PRO 42 26.791 68.873 39.075 1.00 1.00 ATOM 62 CA ASP 43 29.038 66.996 36.563 1.00 1.00 ATOM 63 CA MET 44 27.975 69.556 33.898 1.00 1.00 ATOM 64 CA GLU 45 29.114 72.431 36.212 1.00 1.00 ATOM 65 CA ASP 46 27.135 74.927 38.406 1.00 1.00 ATOM 66 CA ALA 47 23.934 76.247 36.805 1.00 1.00 ATOM 67 CA PRO 48 24.708 79.853 37.937 1.00 1.00 ATOM 68 CA HIS 49 27.970 79.571 36.012 1.00 1.00 ATOM 69 CA HIS 50 26.242 78.007 32.986 1.00 1.00 ATOM 70 CA TRP 51 23.637 80.745 32.854 1.00 1.00 ATOM 71 CA HIS 52 26.400 83.375 33.141 1.00 1.00 ATOM 72 CA PHE 53 28.368 81.746 30.288 1.00 1.00 ATOM 73 CA ILE 54 25.044 81.620 28.307 1.00 1.00 ATOM 74 CA ASN 55 24.481 85.432 28.436 1.00 1.00 ATOM 75 CA GLY 65 28.233 86.107 27.613 1.00 1.00 ATOM 76 CA VAL 66 27.987 83.739 24.619 1.00 1.00 ATOM 77 CA GLY 67 24.794 85.482 23.460 1.00 1.00 ATOM 78 CA ILE 68 26.049 89.053 23.864 1.00 1.00 ATOM 79 CA LEU 69 29.712 88.834 22.900 1.00 1.00 ATOM 80 CA ARG 70 29.594 85.977 20.473 1.00 1.00 ATOM 81 CA GLY 71 26.049 85.895 19.011 1.00 1.00 ATOM 82 CA ILE 72 25.790 82.107 19.904 1.00 1.00 ATOM 83 CA GLU 73 22.469 81.130 21.567 1.00 1.00 ATOM 84 CA ALA 74 22.867 78.090 23.800 1.00 1.00 ATOM 85 CA ASN 75 20.685 76.587 26.474 1.00 1.00 ATOM 86 CA ILE 76 22.438 76.671 29.961 1.00 1.00 ATOM 87 CA LYS 77 20.569 73.579 30.980 1.00 1.00 ATOM 88 CA ASN 78 21.587 71.242 28.128 1.00 1.00 ATOM 89 CA VAL 79 24.195 72.821 25.843 1.00 1.00 ATOM 90 CA ASP 80 26.845 74.338 28.036 1.00 1.00 ATOM 91 CA GLY 81 29.257 72.362 30.231 1.00 1.00 ATOM 92 CA GLU 82 31.966 73.548 32.489 1.00 1.00 ATOM 93 CA ILE 83 35.327 71.704 32.302 1.00 1.00 ATOM 94 CA ASP 84 38.671 71.591 34.081 1.00 1.00 ATOM 95 CA CYS 85 40.320 73.871 31.603 1.00 1.00 ATOM 96 CA SER 86 39.371 74.137 27.924 1.00 1.00 ATOM 97 CA GLY 87 42.043 71.517 27.207 1.00 1.00 ATOM 98 CA LYS 88 39.652 68.704 28.346 1.00 1.00 ATOM 99 CA MET 89 37.321 69.607 25.545 1.00 1.00 ATOM 101 CA PHE 90 39.716 64.554 24.095 1.00 1.00 ATOM 102 CA ASP 91 36.258 64.498 25.604 1.00 1.00 ATOM 103 CA SER 92 34.514 66.357 22.716 1.00 1.00 ATOM 104 CA LEU 93 36.081 64.124 20.040 1.00 1.00 ATOM 105 CA ASP 94 35.158 61.042 22.128 1.00 1.00 ATOM 106 CA LEU 95 31.403 61.935 21.659 1.00 1.00 ATOM 107 CA ILE 96 31.442 60.952 17.982 1.00 1.00 ATOM 108 CA ILE 97 34.816 59.932 16.550 1.00 1.00 ATOM 109 CA ALA 98 35.015 56.362 15.224 1.00 1.00 ATOM 110 CA GLY 99 38.001 54.186 14.478 1.00 1.00 ATOM 111 CA PHE 100 40.255 55.545 11.867 1.00 1.00 ATOM 112 CA HIS 101 38.075 58.566 10.988 1.00 1.00 ATOM 113 CA GLU 102 40.140 61.600 10.026 1.00 1.00 ATOM 114 CA PRO 103 40.204 64.998 11.713 1.00 1.00 ATOM 115 CA VAL 104 41.668 67.904 9.689 1.00 1.00 ATOM 116 CA PHE 105 44.151 69.964 11.786 1.00 1.00 ATOM 117 CA ALA 106 45.407 73.386 10.418 1.00 1.00 ATOM 118 CA PRO 107 49.121 73.702 11.078 1.00 1.00 ATOM 119 CA HIS 108 51.114 75.466 12.699 1.00 1.00 ATOM 120 CA ASP 109 48.791 74.170 15.511 1.00 1.00 ATOM 121 CA LYS 110 48.503 73.994 19.299 1.00 1.00 ATOM 122 CA ALA 111 49.985 70.796 20.672 1.00 1.00 ATOM 123 CA THR 112 46.846 69.070 22.137 1.00 1.00 ATOM 124 CA ASN 113 44.804 68.620 19.002 1.00 1.00 ATOM 125 CA THR 114 46.604 65.690 17.270 1.00 1.00 ATOM 126 CA GLN 115 47.232 63.604 20.464 1.00 1.00 ATOM 127 CA ALA 116 43.577 64.246 21.384 1.00 1.00 ATOM 128 CA MET 117 42.376 62.764 18.017 1.00 1.00 ATOM 129 CA ILE 118 44.793 59.753 18.368 1.00 1.00 ATOM 130 CA ALA 119 43.517 58.992 21.968 1.00 1.00 ATOM 131 CA THR 120 39.941 59.330 20.768 1.00 1.00 ATOM 132 CA SER 123 40.638 56.752 18.057 1.00 1.00 ATOM 133 CA GLY 124 41.045 58.758 14.810 1.00 1.00 ATOM 134 CA ASN 125 43.864 59.958 12.595 1.00 1.00 ATOM 135 CA VAL 126 44.965 63.609 12.412 1.00 1.00 ATOM 136 CA HIS 127 45.661 65.032 8.958 1.00 1.00 ATOM 137 CA ILE 128 47.723 68.224 8.890 1.00 1.00 ATOM 138 CA ILE 129 46.524 70.967 6.644 1.00 1.00 ATOM 139 CA SER 130 49.328 73.629 5.977 1.00 1.00 ATOM 140 CA HIS 131 48.749 77.346 6.497 1.00 1.00 ATOM 141 CA PRO 132 51.195 79.763 4.911 1.00 1.00 ATOM 142 CA GLY 133 52.876 83.015 5.773 1.00 1.00 ATOM 143 CA ASN 134 51.900 84.479 2.317 1.00 1.00 ATOM 144 CA PRO 135 48.333 84.154 3.648 1.00 1.00 ATOM 145 CA LYS 136 49.281 85.574 7.072 1.00 1.00 ATOM 146 CA TYR 137 48.798 82.009 8.231 1.00 1.00 ATOM 147 CA GLU 138 44.994 82.127 7.754 1.00 1.00 ATOM 148 CA ILE 139 43.587 78.711 6.832 1.00 1.00 ATOM 149 CA ASP 140 42.641 78.598 3.211 1.00 1.00 ATOM 150 CA VAL 141 39.735 76.457 1.855 1.00 1.00 ATOM 151 CA LYS 142 41.624 75.429 -1.257 1.00 1.00 ATOM 152 CA ALA 143 44.100 73.783 1.127 1.00 1.00 ATOM 153 CA VAL 144 41.148 72.097 2.944 1.00 1.00 ATOM 154 CA ALA 145 39.833 70.726 -0.423 1.00 1.00 ATOM 155 CA GLU 146 43.188 68.956 -1.052 1.00 1.00 ATOM 156 CA ALA 147 43.058 67.057 2.256 1.00 1.00 ATOM 157 CA ALA 148 39.390 65.966 2.759 1.00 1.00 ATOM 158 CA ALA 149 38.623 62.243 2.255 1.00 1.00 ATOM 159 CA LYS 150 35.452 60.185 2.745 1.00 1.00 ATOM 160 CA HIS 151 36.983 59.228 6.064 1.00 1.00 ATOM 161 CA GLN 152 37.103 62.903 7.267 1.00 1.00 ATOM 162 CA VAL 153 34.633 63.555 10.119 1.00 1.00 ATOM 163 CA ALA 154 35.763 66.824 11.855 1.00 1.00 ATOM 164 CA LEU 155 37.883 69.934 11.634 1.00 1.00 ATOM 165 CA GLU 156 39.481 71.855 14.427 1.00 1.00 ATOM 166 CA ILE 157 40.055 75.637 13.995 1.00 1.00 ATOM 167 CA ASN 158 41.796 77.964 16.455 1.00 1.00 ATOM 168 CA ASN 159 41.316 81.756 16.003 1.00 1.00 ATOM 169 CA SER 160 43.045 83.900 17.335 1.00 1.00 ATOM 170 CA SER 161 45.687 81.144 16.794 1.00 1.00 ATOM 171 CA PHE 162 48.431 79.812 19.035 1.00 1.00 ATOM 172 CA LEU 163 51.268 79.618 17.652 1.00 1.00 ATOM 173 CA HIS 164 50.796 82.032 14.807 1.00 1.00 ATOM 174 CA SER 165 48.732 84.863 16.206 1.00 1.00 ATOM 175 CA ARG 166 46.605 84.742 12.965 1.00 1.00 ATOM 176 CA LYS 167 42.881 85.523 13.235 1.00 1.00 ATOM 177 CA GLY 168 40.458 84.343 10.665 1.00 1.00 ATOM 178 CA SER 169 38.278 86.904 8.900 1.00 1.00 ATOM 179 CA GLU 170 34.413 86.730 8.924 1.00 1.00 ATOM 180 CA ASP 171 34.732 85.819 5.197 1.00 1.00 ATOM 181 CA ASN 172 37.240 83.033 6.052 1.00 1.00 ATOM 182 CA CYS 173 34.779 81.655 8.539 1.00 1.00 ATOM 183 CA ARG 174 31.919 81.904 6.028 1.00 1.00 ATOM 184 CA GLU 175 33.914 79.942 3.529 1.00 1.00 ATOM 185 CA VAL 176 35.099 77.298 5.982 1.00 1.00 ATOM 186 CA ALA 177 31.485 76.994 7.203 1.00 1.00 ATOM 187 CA ALA 178 30.585 76.185 3.636 1.00 1.00 ATOM 188 CA ALA 179 33.231 73.504 3.456 1.00 1.00 ATOM 189 CA VAL 180 32.057 72.026 6.789 1.00 1.00 ATOM 190 CA ARG 181 28.435 71.680 5.680 1.00 1.00 ATOM 191 CA ASP 182 29.393 70.400 2.199 1.00 1.00 ATOM 192 CA ALA 183 31.432 67.596 3.798 1.00 1.00 ATOM 193 CA GLY 184 29.088 66.981 6.779 1.00 1.00 ATOM 194 CA GLY 185 31.853 67.483 9.315 1.00 1.00 ATOM 195 CA TRP 186 31.685 68.790 12.807 1.00 1.00 ATOM 196 CA VAL 187 33.956 71.740 13.677 1.00 1.00 ATOM 197 CA ALA 188 35.659 72.214 17.058 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:37:18 2002 Date: Tue, 30 Jul 2002 02:37:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:10:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_227752_16738 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS007_4 Current information on models submitted in prediction T0147TS007 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1GD9_A # Loading PARENT structure: 1gd9 (chain: A) # Number of residues in PARENT structure: 388 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue N 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue N 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue K 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue I 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 153 # Total number of atoms in model: 153 # Number of atoms with 1.0 occupancy: 153 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 153 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1GD9_A ATOM 44 CA LEU 20 19.956 13.080 9.152 1.00 1.00 ATOM 45 CA SER 21 22.150 15.783 10.699 1.00 1.00 ATOM 46 CA ASP 22 19.751 18.402 9.289 1.00 1.00 ATOM 47 CA TYR 23 16.737 16.671 10.878 1.00 1.00 ATOM 48 CA ILE 24 18.562 16.767 14.219 1.00 1.00 ATOM 49 CA ALA 25 19.198 20.512 13.812 1.00 1.00 ATOM 50 CA GLN 26 15.546 21.008 12.910 1.00 1.00 ATOM 51 CA ALA 27 14.522 19.125 16.072 1.00 1.00 ATOM 52 CA LYS 28 16.749 21.426 18.133 1.00 1.00 ATOM 53 CA GLN 29 15.038 24.407 16.470 1.00 1.00 ATOM 54 CA LYS 30 11.673 22.862 17.397 1.00 1.00 ATOM 55 CA GLY 31 12.805 22.715 21.016 1.00 1.00 ATOM 56 CA ILE 32 12.760 18.912 21.403 1.00 1.00 ATOM 57 CA LYS 33 15.120 19.146 24.373 1.00 1.00 ATOM 58 CA LEU 34 12.918 17.947 27.235 1.00 1.00 ATOM 59 CA PHE 35 12.406 14.444 28.670 1.00 1.00 ATOM 60 CA GLY 41 10.585 11.972 26.462 1.00 1.00 ATOM 61 CA PRO 42 8.863 8.695 27.502 1.00 1.00 ATOM 62 CA ASP 43 11.066 5.972 29.044 1.00 1.00 ATOM 63 CA MET 44 9.931 3.780 26.150 1.00 1.00 ATOM 64 CA GLU 45 10.980 6.437 23.612 1.00 1.00 ATOM 65 CA ASP 46 9.179 8.933 21.343 1.00 1.00 ATOM 66 CA ALA 47 5.904 7.559 19.968 1.00 1.00 ATOM 67 CA PRO 48 6.694 9.019 16.543 1.00 1.00 ATOM 68 CA HIS 49 9.972 7.064 16.395 1.00 1.00 ATOM 69 CA HIS 50 8.381 3.873 17.743 1.00 1.00 ATOM 70 CA TRP 51 5.713 4.188 15.042 1.00 1.00 ATOM 71 CA HIS 52 8.422 4.726 12.416 1.00 1.00 ATOM 72 CA PHE 53 10.210 1.649 13.768 1.00 1.00 ATOM 73 CA ILE 54 6.979 -0.397 13.567 1.00 1.00 ATOM 74 CA ASN 55 6.663 0.447 9.848 1.00 1.00 ATOM 75 CA GLY 65 10.323 -0.474 9.273 1.00 1.00 ATOM 76 CA VAL 66 10.071 -3.758 11.223 1.00 1.00 ATOM 77 CA GLY 67 6.983 -4.806 9.311 1.00 1.00 ATOM 78 CA ILE 68 8.121 -3.899 5.800 1.00 1.00 ATOM 79 CA LEU 69 11.828 -4.783 6.022 1.00 1.00 ATOM 80 CA ARG 70 11.732 -7.580 8.628 1.00 1.00 ATOM 81 CA GLY 71 8.174 -8.928 8.487 1.00 1.00 ATOM 82 CA ILE 72 7.869 -8.240 12.214 1.00 1.00 ATOM 83 CA GLU 73 4.465 -6.975 13.341 1.00 1.00 ATOM 84 CA ALA 74 4.933 -4.982 16.551 1.00 1.00 ATOM 85 CA ASN 75 2.694 -2.515 18.407 1.00 1.00 ATOM 86 CA ILE 76 4.680 0.756 18.790 1.00 1.00 ATOM 87 CA LYS 77 2.682 1.650 21.913 1.00 1.00 ATOM 88 CA ASN 78 3.657 -1.426 23.937 1.00 1.00 ATOM 89 CA VAL 79 6.090 -3.672 22.063 1.00 1.00 ATOM 90 CA ASP 80 8.787 -1.302 20.837 1.00 1.00 ATOM 91 CA GLY 81 11.346 0.436 23.038 1.00 1.00 ATOM 92 CA GLU 82 14.010 2.953 22.029 1.00 1.00 ATOM 93 CA ILE 83 17.371 2.709 23.804 1.00 1.00 ATOM 94 CA ASP 84 20.669 4.534 24.253 1.00 1.00 ATOM 95 CA CYS 85 22.313 2.318 21.664 1.00 1.00 ATOM 96 CA SER 86 21.414 -1.296 20.944 1.00 1.00 ATOM 97 CA GLY 87 24.100 -2.317 23.471 1.00 1.00 ATOM 98 CA LYS 88 21.663 -1.594 26.320 1.00 1.00 ATOM 99 CA MET 89 19.290 -4.325 25.086 1.00 1.00 ATOM 101 CA PHE 90 21.717 -6.288 29.993 1.00 1.00 ATOM 102 CA ASP 91 18.167 -4.886 30.197 1.00 1.00 ATOM 103 CA SER 92 16.472 -7.503 28.002 1.00 1.00 ATOM 104 CA LEU 93 17.997 -10.425 29.894 1.00 1.00 ATOM 105 CA ASP 94 17.111 -8.716 33.188 1.00 1.00 ATOM 106 CA LEU 95 13.444 -8.921 32.234 1.00 1.00 ATOM 107 CA ILE 96 13.432 -12.677 32.890 1.00 1.00 ATOM 108 CA ILE 97 16.818 -14.325 33.641 1.00 1.00 ATOM 109 CA ALA 98 17.031 -16.022 37.036 1.00 1.00 ATOM 110 CA GLY 99 19.916 -17.130 39.248 1.00 1.00 ATOM 111 CA PHE 100 22.283 -19.557 37.550 1.00 1.00 ATOM 112 CA HIS 101 20.156 -19.856 34.417 1.00 1.00 ATOM 113 CA GLU 102 22.193 -20.543 31.319 1.00 1.00 ATOM 114 CA PRO 103 22.320 -18.483 28.161 1.00 1.00 ATOM 115 CA VAL 104 23.637 -20.077 24.977 1.00 1.00 ATOM 116 CA PHE 105 26.020 -17.806 23.139 1.00 1.00 ATOM 117 CA ALA 106 27.272 -18.906 19.700 1.00 1.00 ATOM 118 CA PRO 107 30.914 -17.914 19.345 1.00 1.00 ATOM 119 CA HIS 108 32.907 -16.103 17.993 1.00 1.00 ATOM 120 CA ASP 109 30.478 -13.558 19.456 1.00 1.00 ATOM 121 CA LYS 110 30.016 -9.844 20.088 1.00 1.00 ATOM 122 CA ALA 111 31.901 -8.780 23.211 1.00 1.00 ATOM 123 CA THR 112 28.848 -7.615 25.191 1.00 1.00 ATOM 124 CA ASN 113 26.952 -10.914 25.287 1.00 1.00 ATOM 125 CA THR 114 28.703 -12.966 27.987 1.00 1.00 ATOM 126 CA GLN 115 29.202 -9.952 30.314 1.00 1.00 ATOM 127 CA ALA 116 25.513 -8.973 29.980 1.00 1.00 ATOM 128 CA MET 117 24.506 -12.544 30.909 1.00 1.00 ATOM 129 CA ILE 118 26.824 -12.467 33.942 1.00 1.00 ATOM 130 CA ALA 119 25.540 -9.019 34.993 1.00 1.00 ATOM 131 CA THR 120 21.882 -10.132 34.667 1.00 1.00 ATOM 132 CA SER 123 22.647 -12.956 37.090 1.00 1.00 ATOM 133 CA GLY 124 22.988 -15.821 34.622 1.00 1.00 ATOM 134 CA ASN 125 25.648 -18.127 33.236 1.00 1.00 ATOM 135 CA VAL 126 27.063 -17.657 29.717 1.00 1.00 ATOM 136 CA HIS 127 27.493 -20.873 27.748 1.00 1.00 ATOM 137 CA ILE 128 29.588 -20.472 24.613 1.00 1.00 ATOM 138 CA ILE 129 28.493 -22.636 21.682 1.00 1.00 ATOM 139 CA SER 130 31.189 -22.914 18.979 1.00 1.00 ATOM 140 CA HIS 131 30.492 -22.098 15.323 1.00 1.00 ATOM 141 CA PRO 132 32.833 -23.539 12.705 1.00 1.00 ATOM 142 CA GLY 133 34.894 -22.181 9.850 1.00 1.00 ATOM 143 CA ASN 134 33.652 -25.164 7.813 1.00 1.00 ATOM 144 CA PRO 135 30.063 -23.943 8.260 1.00 1.00 ATOM 145 CA LYS 136 31.281 -20.441 7.316 1.00 1.00 ATOM 146 CA TYR 137 30.684 -19.719 11.016 1.00 1.00 ATOM 147 CA GLU 138 26.938 -20.251 10.676 1.00 1.00 ATOM 148 CA ILE 139 25.414 -21.540 13.920 1.00 1.00 ATOM 149 CA ASP 140 24.691 -25.269 13.691 1.00 1.00 ATOM 150 CA VAL 141 21.746 -26.504 15.784 1.00 1.00 ATOM 151 CA LYS 142 23.533 -29.831 16.374 1.00 1.00 ATOM 152 CA ALA 143 26.144 -27.814 18.257 1.00 1.00 ATOM 153 CA VAL 144 23.434 -26.068 20.298 1.00 1.00 ATOM 154 CA ALA 145 22.085 -29.479 21.338 1.00 1.00 ATOM 155 CA GLU 146 25.423 -30.417 22.924 1.00 1.00 ATOM 156 CA ALA 147 25.098 -27.458 25.290 1.00 1.00 ATOM 157 CA ALA 148 21.461 -27.493 26.415 1.00 1.00 ATOM 158 CA ALA 149 20.684 -28.336 30.015 1.00 1.00 ATOM 159 CA LYS 150 17.723 -28.049 32.353 1.00 1.00 ATOM 160 CA HIS 151 19.073 -24.585 33.290 1.00 1.00 ATOM 161 CA GLN 152 19.141 -23.200 29.730 1.00 1.00 ATOM 162 CA VAL 153 16.758 -20.248 29.536 1.00 1.00 ATOM 163 CA ALA 154 17.936 -18.126 26.612 1.00 1.00 ATOM 164 CA LEU 155 19.906 -17.966 23.363 1.00 1.00 ATOM 165 CA GLU 156 21.561 -14.895 21.802 1.00 1.00 ATOM 166 CA ILE 157 22.105 -14.963 18.028 1.00 1.00 ATOM 167 CA ASN 158 23.743 -12.273 15.923 1.00 1.00 ATOM 168 CA ASN 159 23.289 -12.189 12.161 1.00 1.00 ATOM 169 CA SER 160 25.027 -10.680 10.298 1.00 1.00 ATOM 170 CA SER 161 27.669 -11.630 12.838 1.00 1.00 ATOM 171 CA PHE 162 30.364 -9.554 14.528 1.00 1.00 ATOM 172 CA LEU 163 33.219 -10.792 14.269 1.00 1.00 ATOM 173 CA HIS 164 32.783 -13.503 11.608 1.00 1.00 ATOM 174 CA SER 165 30.603 -11.822 9.008 1.00 1.00 ATOM 175 CA ARG 166 28.418 -14.950 8.949 1.00 1.00 ATOM 176 CA LYS 167 24.786 -14.622 7.890 1.00 1.00 ATOM 177 CA GLY 168 22.257 -17.189 9.077 1.00 1.00 ATOM 178 CA SER 169 20.096 -18.507 6.247 1.00 1.00 ATOM 179 CA GLU 170 16.286 -18.740 6.428 1.00 1.00 ATOM 180 CA ASP 171 16.570 -22.473 7.095 1.00 1.00 ATOM 181 CA ASN 172 19.264 -21.967 9.761 1.00 1.00 ATOM 182 CA CYS 173 16.807 -19.687 11.546 1.00 1.00 ATOM 183 CA ARG 174 13.935 -22.108 11.031 1.00 1.00 ATOM 184 CA GLU 175 15.911 -24.888 12.745 1.00 1.00 ATOM 185 CA VAL 176 17.084 -22.469 15.443 1.00 1.00 ATOM 186 CA ALA 177 13.453 -21.383 15.945 1.00 1.00 ATOM 187 CA ALA 178 12.402 -25.004 16.497 1.00 1.00 ATOM 188 CA ALA 179 15.216 -25.556 18.973 1.00 1.00 ATOM 189 CA VAL 180 14.201 -22.396 20.851 1.00 1.00 ATOM 190 CA ARG 181 10.556 -23.504 21.058 1.00 1.00 ATOM 191 CA ASP 182 11.566 -27.074 22.005 1.00 1.00 ATOM 192 CA ALA 183 13.516 -25.982 25.072 1.00 1.00 ATOM 193 CA GLY 184 11.200 -23.023 25.722 1.00 1.00 ATOM 194 CA GLY 185 13.912 -20.428 25.503 1.00 1.00 ATOM 195 CA TRP 186 13.805 -16.716 24.903 1.00 1.00 ATOM 196 CA VAL 187 15.962 -15.788 21.895 1.00 1.00 ATOM 197 CA ALA 188 17.671 -12.416 21.561 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:38:18 2002 Date: Tue, 30 Jul 2002 02:38:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:10:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_228340_16740 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS007_1 Current information on models submitted in prediction T0147TS007 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_1 PIN_228340_16740 6269-7633-6117 07/30/02 02:10:36 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_1 PIN_228340_16740 6269-7633-6117 07/30/02 02:10:36 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1E5D_A # Loading PARENT structure: 1e5d (chain: A) # Number of residues in PARENT structure: 401 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue I 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue H 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue M 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue E 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue C 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue K 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue R 218 # IMPORTANT NOTE! Not complete main chain atoms for residue I 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue S 223 # IMPORTANT NOTE! Not complete main chain atoms for residue P 224 # IMPORTANT NOTE! Not complete main chain atoms for residue R 225 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue N 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue R 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue M 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue A 240 # IMPORTANT NOTE! Not complete main chain atoms for residue E 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 111 # Total number of atoms in model: 111 # Number of atoms with 1.0 occupancy: 111 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 111 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1E5D_A ATOM 253 CA GLY 124 57.137 20.322 54.612 1.00 1.00 ATOM 254 CA ASN 125 56.004 23.811 53.584 1.00 1.00 ATOM 255 CA VAL 126 52.851 25.376 54.946 1.00 1.00 ATOM 256 CA HIS 127 51.263 28.413 53.298 1.00 1.00 ATOM 257 CA ILE 128 48.806 30.304 55.473 1.00 1.00 ATOM 258 CA ILE 129 46.772 33.001 53.737 1.00 1.00 ATOM 259 CA SER 130 44.098 35.127 55.319 1.00 1.00 ATOM 260 CA HIS 131 42.460 38.516 55.358 1.00 1.00 ATOM 261 CA PRO 132 41.016 40.319 58.370 1.00 1.00 ATOM 262 CA GLY 133 39.289 43.528 59.412 1.00 1.00 ATOM 263 CA ASN 134 39.940 43.788 63.159 1.00 1.00 ATOM 264 CA PRO 135 42.947 41.491 63.396 1.00 1.00 ATOM 265 CA LYS 136 41.464 38.557 65.271 1.00 1.00 ATOM 266 CA TYR 137 41.782 36.328 62.228 1.00 1.00 ATOM 267 CA GLU 138 45.293 37.723 61.936 1.00 1.00 ATOM 268 CA ILE 139 46.243 36.673 65.490 1.00 1.00 ATOM 269 CA ASP 140 44.912 33.189 64.828 1.00 1.00 ATOM 270 CA VAL 141 47.079 33.166 61.691 1.00 1.00 ATOM 271 CA LYS 142 50.151 34.313 63.600 1.00 1.00 ATOM 272 CA ALA 143 49.584 31.600 66.173 1.00 1.00 ATOM 273 CA VAL 144 49.171 28.992 63.446 1.00 1.00 ATOM 274 CA ALA 145 52.412 30.089 61.837 1.00 1.00 ATOM 275 CA GLU 146 54.300 29.529 65.089 1.00 1.00 ATOM 276 CA ALA 147 52.841 26.111 65.868 1.00 1.00 ATOM 277 CA ALA 148 53.624 24.879 62.386 1.00 1.00 ATOM 278 CA ALA 149 57.197 26.016 62.802 1.00 1.00 ATOM 279 CA LYS 150 57.215 24.174 66.132 1.00 1.00 ATOM 280 CA HIS 151 56.192 21.048 64.235 1.00 1.00 ATOM 281 CA GLN 152 59.245 21.583 62.049 1.00 1.00 ATOM 282 CA VAL 153 57.410 23.046 59.076 1.00 1.00 ATOM 283 CA ALA 154 58.520 25.947 56.910 1.00 1.00 ATOM 284 CA LEU 155 55.799 28.585 56.970 1.00 1.00 ATOM 285 CA GLU 156 54.641 31.207 54.544 1.00 1.00 ATOM 286 CA ILE 157 52.194 33.551 56.295 1.00 1.00 ATOM 287 CA ASN 158 50.599 35.688 53.572 1.00 1.00 ATOM 288 CA ASN 159 48.121 38.562 53.948 1.00 1.00 ATOM 289 CA SER 160 45.822 38.937 50.929 1.00 1.00 ATOM 290 CA SER 161 45.965 42.715 51.231 1.00 1.00 ATOM 291 CA PHE 162 49.770 42.568 50.773 1.00 1.00 ATOM 292 CA LEU 163 50.202 39.588 48.445 1.00 1.00 ATOM 295 CA ARG 174 49.657 34.981 41.822 1.00 1.00 ATOM 296 CA GLU 175 52.248 35.256 44.615 1.00 1.00 ATOM 297 CA VAL 176 50.297 33.084 46.986 1.00 1.00 ATOM 298 CA ALA 177 49.962 30.567 44.187 1.00 1.00 ATOM 299 CA ALA 178 53.688 30.461 43.590 1.00 1.00 ATOM 300 CA ALA 179 54.253 29.692 47.241 1.00 1.00 ATOM 301 CA VAL 180 51.505 27.111 47.156 1.00 1.00 ATOM 302 CA ARG 181 53.014 25.334 44.164 1.00 1.00 ATOM 303 CA ASP 182 55.493 23.454 46.347 1.00 1.00 ATOM 304 CA ALA 183 53.652 23.651 49.680 1.00 1.00 ATOM 305 CA GLY 184 52.195 20.513 51.257 1.00 1.00 ATOM 306 CA GLY 185 49.462 22.274 53.188 1.00 1.00 ATOM 307 CA TRP 186 47.338 25.327 52.429 1.00 1.00 ATOM 308 CA VAL 187 45.671 27.038 55.404 1.00 1.00 ATOM 309 CA ALA 188 43.066 29.762 54.789 1.00 1.00 ATOM 310 CA LEU 189 41.624 32.225 57.246 1.00 1.00 ATOM 311 CA GLY 190 38.808 34.724 56.966 1.00 1.00 ATOM 312 CA ASP 192 36.460 36.418 59.385 1.00 1.00 ATOM 313 CA SER 193 32.787 36.233 58.498 1.00 1.00 ATOM 314 CA HIS 194 31.884 39.243 56.404 1.00 1.00 ATOM 315 CA THR 195 28.212 39.605 55.504 1.00 1.00 ATOM 316 CA ALA 196 27.393 35.904 55.827 1.00 1.00 ATOM 317 CA PHE 197 30.485 35.014 53.848 1.00 1.00 ATOM 318 CA THR 198 34.214 35.500 53.491 1.00 1.00 ATOM 319 CA MET 199 36.232 38.592 52.636 1.00 1.00 ATOM 320 CA GLY 200 36.387 39.497 48.969 1.00 1.00 ATOM 321 CA GLU 201 40.155 39.194 48.580 1.00 1.00 ATOM 322 CA PHE 202 40.076 35.759 50.149 1.00 1.00 ATOM 323 CA GLU 203 37.330 34.735 47.747 1.00 1.00 ATOM 324 CA GLU 204 39.206 36.138 44.750 1.00 1.00 ATOM 325 CA CYS 205 42.380 34.291 45.710 1.00 1.00 ATOM 326 CA LEU 206 40.583 31.010 46.226 1.00 1.00 ATOM 327 CA LYS 207 38.896 31.466 42.854 1.00 1.00 ATOM 328 CA ILE 208 42.299 32.000 41.265 1.00 1.00 ATOM 329 CA LEU 209 43.744 29.013 43.051 1.00 1.00 ATOM 330 CA ASP 210 40.875 26.641 42.356 1.00 1.00 ATOM 331 CA ALA 211 41.285 27.245 38.626 1.00 1.00 ATOM 332 CA VAL 212 44.960 26.345 38.706 1.00 1.00 ATOM 333 CA ASP 213 44.040 22.972 40.189 1.00 1.00 ATOM 334 CA PHE 214 46.837 22.467 42.744 1.00 1.00 ATOM 335 CA PRO 215 47.211 18.784 43.656 1.00 1.00 ATOM 336 CA PRO 216 48.364 16.728 46.650 1.00 1.00 ATOM 337 CA GLU 217 47.701 19.349 49.281 1.00 1.00 ATOM 338 CA ARG 218 46.374 19.254 52.813 1.00 1.00 ATOM 339 CA ILE 219 43.773 21.915 53.565 1.00 1.00 ATOM 340 CA LEU 220 42.966 23.889 56.700 1.00 1.00 ATOM 341 CA ASN 221 40.591 26.702 57.633 1.00 1.00 ATOM 342 CA VAL 222 40.005 29.147 60.459 1.00 1.00 ATOM 343 CA SER 223 38.398 32.463 61.271 1.00 1.00 ATOM 370 CA PRO 224 38.220 24.281 61.109 1.00 1.00 ATOM 371 CA ARG 225 38.828 26.439 64.151 1.00 1.00 ATOM 372 CA ARG 226 36.299 29.243 64.501 1.00 1.00 ATOM 373 CA LEU 227 36.242 31.841 67.276 1.00 1.00 ATOM 374 CA LEU 228 33.608 34.346 68.356 1.00 1.00 ATOM 375 CA ASN 229 35.351 37.691 68.025 1.00 1.00 ATOM 376 CA PHE 230 38.576 37.991 69.988 1.00 1.00 ATOM 377 CA LEU 231 40.346 34.728 70.636 1.00 1.00 ATOM 378 CA GLU 232 41.548 33.471 74.027 1.00 1.00 ATOM 379 CA SER 233 44.357 31.178 75.193 1.00 1.00 ATOM 380 CA ARG 234 41.885 28.360 74.849 1.00 1.00 ATOM 381 CA GLY 235 41.283 29.283 71.224 1.00 1.00 ATOM 382 CA MET 236 45.040 29.417 70.898 1.00 1.00 ATOM 383 CA ALA 237 45.133 25.876 72.270 1.00 1.00 ATOM 384 CA PRO 238 42.661 24.811 69.621 1.00 1.00 ATOM 385 CA ILE 239 44.790 26.248 66.842 1.00 1.00 ATOM 386 CA ALA 240 48.052 24.643 68.019 1.00 1.00 ATOM 387 CA GLU 241 46.101 21.419 68.101 1.00 1.00 ATOM 388 CA PHE 242 44.847 22.153 64.590 1.00 1.00 ATOM 389 CA ALA 243 48.411 22.867 63.449 1.00 1.00 ATOM 390 CA ASP 244 49.531 19.607 65.043 1.00 1.00 ATOM 391 CA LEU 245 46.880 17.516 63.312 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:39:08 2002 Date: Tue, 30 Jul 2002 02:39:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:12:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_248056_16742 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS007_2 Current information on models submitted in prediction T0147TS007 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_2 PIN_248056_16742 6269-7633-6117 07/30/02 02:12:05 casp5@bialko.llnl.gov T0147TS007_1 PIN_228340_16740 6269-7633-6117 07/30/02 02:10:36 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_1 PIN_228340_16740 6269-7633-6117 07/30/02 02:10:36 casp5@bialko.llnl.gov T0147TS007_2 PIN_248056_16742 6269-7633-6117 07/30/02 02:12:05 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1DJU_A # Loading PARENT structure: 1dju (chain: A) # Number of residues in PARENT structure: 375 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue N 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue N 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue K 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue I 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 153 # Total number of atoms in model: 153 # Number of atoms with 1.0 occupancy: 153 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 153 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1DJU_A ATOM 44 CA LEU 20 42.729 74.713 55.111 1.00 1.00 ATOM 45 CA SER 21 40.393 77.411 53.688 1.00 1.00 ATOM 46 CA ASP 22 42.818 79.875 55.131 1.00 1.00 ATOM 47 CA TYR 23 45.921 78.402 53.441 1.00 1.00 ATOM 48 CA ILE 24 44.139 78.501 50.027 1.00 1.00 ATOM 49 CA ALA 25 43.368 82.269 50.636 1.00 1.00 ATOM 50 CA GLN 26 47.080 82.817 51.416 1.00 1.00 ATOM 51 CA ALA 27 48.017 80.946 48.211 1.00 1.00 ATOM 52 CA LYS 28 45.740 83.182 46.142 1.00 1.00 ATOM 53 CA GLN 29 47.346 86.200 47.771 1.00 1.00 ATOM 54 CA LYS 30 50.760 84.694 47.093 1.00 1.00 ATOM 55 CA GLY 31 49.809 84.618 43.384 1.00 1.00 ATOM 56 CA ILE 32 49.828 80.865 42.864 1.00 1.00 ATOM 57 CA LYS 33 47.653 81.390 39.823 1.00 1.00 ATOM 58 CA LEU 34 49.652 79.958 36.931 1.00 1.00 ATOM 59 CA PHE 35 50.162 76.428 35.475 1.00 1.00 ATOM 60 CA GLY 41 52.097 73.965 37.576 1.00 1.00 ATOM 61 CA PRO 42 53.753 70.667 36.436 1.00 1.00 ATOM 62 CA ASP 43 51.392 68.000 35.088 1.00 1.00 ATOM 63 CA MET 44 52.463 65.705 37.921 1.00 1.00 ATOM 64 CA GLU 45 51.576 68.182 40.725 1.00 1.00 ATOM 65 CA ASP 46 53.599 70.661 42.790 1.00 1.00 ATOM 66 CA ALA 47 56.811 69.006 44.008 1.00 1.00 ATOM 67 CA PRO 48 56.178 70.336 47.548 1.00 1.00 ATOM 68 CA HIS 49 52.790 68.579 47.606 1.00 1.00 ATOM 69 CA HIS 50 54.293 65.395 46.315 1.00 1.00 ATOM 70 CA TRP 51 56.943 65.589 49.030 1.00 1.00 ATOM 71 CA HIS 52 54.366 66.040 51.797 1.00 1.00 ATOM 72 CA PHE 53 52.426 63.157 50.318 1.00 1.00 ATOM 73 CA ILE 54 55.647 60.958 50.312 1.00 1.00 ATOM 74 CA ASN 55 56.014 61.720 54.070 1.00 1.00 ATOM 75 CA GLY 65 52.357 60.911 54.848 1.00 1.00 ATOM 76 CA VAL 66 52.512 57.657 52.837 1.00 1.00 ATOM 77 CA GLY 67 55.601 56.432 54.672 1.00 1.00 ATOM 78 CA ILE 68 54.542 57.400 58.130 1.00 1.00 ATOM 79 CA LEU 69 50.860 56.440 57.980 1.00 1.00 ATOM 80 CA ARG 70 50.840 53.686 55.383 1.00 1.00 ATOM 81 CA GLY 71 54.259 52.161 55.298 1.00 1.00 ATOM 82 CA ILE 72 54.642 52.894 51.612 1.00 1.00 ATOM 83 CA GLU 73 57.931 54.293 50.390 1.00 1.00 ATOM 84 CA ALA 74 57.396 56.275 47.226 1.00 1.00 ATOM 85 CA ASN 75 59.728 58.770 45.552 1.00 1.00 ATOM 86 CA ILE 76 58.165 62.271 45.204 1.00 1.00 ATOM 87 CA LYS 77 59.950 63.057 41.967 1.00 1.00 ATOM 88 CA ASN 78 58.876 59.871 40.230 1.00 1.00 ATOM 89 CA VAL 79 56.304 57.734 41.843 1.00 1.00 ATOM 90 CA ASP 80 53.563 59.967 43.046 1.00 1.00 ATOM 91 CA GLY 81 51.252 62.160 40.949 1.00 1.00 ATOM 92 CA GLU 82 48.632 64.658 42.028 1.00 1.00 ATOM 93 CA ILE 83 45.242 64.424 40.348 1.00 1.00 ATOM 94 CA ASP 84 41.929 66.230 39.966 1.00 1.00 ATOM 95 CA CYS 85 40.148 63.977 42.469 1.00 1.00 ATOM 96 CA SER 86 41.144 60.308 43.182 1.00 1.00 ATOM 97 CA GLY 87 38.404 59.418 40.597 1.00 1.00 ATOM 98 CA LYS 88 40.680 60.268 37.635 1.00 1.00 ATOM 99 CA MET 89 43.008 57.507 38.743 1.00 1.00 ATOM 101 CA PHE 90 40.726 55.467 33.898 1.00 1.00 ATOM 102 CA ASP 91 44.225 56.997 33.650 1.00 1.00 ATOM 103 CA SER 92 45.777 54.211 35.768 1.00 1.00 ATOM 104 CA LEU 93 44.149 51.378 33.843 1.00 1.00 ATOM 105 CA ASP 94 45.108 53.124 30.520 1.00 1.00 ATOM 106 CA LEU 95 48.847 52.944 31.470 1.00 1.00 ATOM 107 CA ILE 96 48.657 49.187 30.822 1.00 1.00 ATOM 108 CA ILE 97 45.344 47.462 29.902 1.00 1.00 ATOM 109 CA ALA 98 45.202 45.977 26.418 1.00 1.00 ATOM 110 CA GLY 99 42.172 44.945 24.478 1.00 1.00 ATOM 111 CA PHE 100 40.465 41.843 25.913 1.00 1.00 ATOM 112 CA HIS 101 41.732 42.021 29.375 1.00 1.00 ATOM 113 CA GLU 102 39.751 41.381 32.447 1.00 1.00 ATOM 114 CA PRO 103 39.848 43.284 35.641 1.00 1.00 ATOM 115 CA VAL 104 38.415 41.713 38.782 1.00 1.00 ATOM 116 CA PHE 105 36.060 43.941 40.764 1.00 1.00 ATOM 117 CA ALA 106 34.847 42.798 44.227 1.00 1.00 ATOM 118 CA PRO 107 31.221 43.699 44.449 1.00 1.00 ATOM 119 CA HIS 108 29.179 45.506 45.954 1.00 1.00 ATOM 120 CA ASP 109 31.681 48.031 44.492 1.00 1.00 ATOM 121 CA LYS 110 32.110 51.810 43.964 1.00 1.00 ATOM 122 CA ALA 111 30.382 52.881 40.772 1.00 1.00 ATOM 123 CA THR 112 33.409 54.198 38.672 1.00 1.00 ATOM 124 CA ASN 113 35.361 50.935 38.554 1.00 1.00 ATOM 125 CA THR 114 33.624 48.988 35.841 1.00 1.00 ATOM 126 CA GLN 115 33.014 51.955 33.423 1.00 1.00 ATOM 127 CA ALA 116 36.721 52.981 33.793 1.00 1.00 ATOM 128 CA MET 117 37.665 49.398 32.768 1.00 1.00 ATOM 129 CA ILE 118 35.272 49.536 29.799 1.00 1.00 ATOM 130 CA ALA 119 36.662 52.944 28.759 1.00 1.00 ATOM 131 CA THR 120 40.254 51.678 29.140 1.00 1.00 ATOM 132 CA SER 123 39.327 48.898 26.733 1.00 1.00 ATOM 133 CA GLY 124 38.963 45.865 29.081 1.00 1.00 ATOM 134 CA ASN 125 36.181 43.754 30.506 1.00 1.00 ATOM 135 CA VAL 126 35.219 44.091 34.193 1.00 1.00 ATOM 136 CA HIS 127 34.448 40.811 35.950 1.00 1.00 ATOM 137 CA ILE 128 32.434 41.112 39.136 1.00 1.00 ATOM 138 CA ILE 129 33.485 38.877 42.068 1.00 1.00 ATOM 139 CA SER 130 30.812 38.678 44.878 1.00 1.00 ATOM 140 CA HIS 131 31.549 39.356 48.556 1.00 1.00 ATOM 141 CA PRO 132 29.052 38.050 51.079 1.00 1.00 ATOM 142 CA GLY 133 27.168 39.221 54.090 1.00 1.00 ATOM 143 CA ASN 134 28.291 36.202 56.165 1.00 1.00 ATOM 144 CA PRO 135 31.844 37.324 55.518 1.00 1.00 ATOM 145 CA LYS 136 30.816 40.857 56.614 1.00 1.00 ATOM 146 CA TYR 137 31.492 41.617 52.978 1.00 1.00 ATOM 147 CA GLU 138 35.256 41.052 53.132 1.00 1.00 ATOM 148 CA ILE 139 36.771 39.647 49.984 1.00 1.00 ATOM 149 CA ASP 140 37.664 36.034 50.030 1.00 1.00 ATOM 150 CA VAL 141 40.508 34.806 47.781 1.00 1.00 ATOM 151 CA LYS 142 38.478 31.626 47.170 1.00 1.00 ATOM 152 CA ALA 143 35.871 33.732 45.244 1.00 1.00 ATOM 153 CA VAL 144 38.693 35.334 43.244 1.00 1.00 ATOM 154 CA ALA 145 39.902 31.957 42.086 1.00 1.00 ATOM 155 CA GLU 146 36.520 31.074 40.608 1.00 1.00 ATOM 156 CA ALA 147 36.828 34.060 38.239 1.00 1.00 ATOM 157 CA ALA 148 40.456 34.168 37.167 1.00 1.00 ATOM 158 CA ALA 149 41.192 33.299 33.543 1.00 1.00 ATOM 159 CA LYS 150 44.391 33.933 31.689 1.00 1.00 ATOM 160 CA HIS 151 42.913 37.129 30.344 1.00 1.00 ATOM 161 CA GLN 152 42.842 38.587 33.929 1.00 1.00 ATOM 162 CA VAL 153 45.343 41.462 34.282 1.00 1.00 ATOM 163 CA ALA 154 44.274 43.418 37.322 1.00 1.00 ATOM 164 CA LEU 155 42.230 43.443 40.536 1.00 1.00 ATOM 165 CA GLU 156 40.614 46.580 42.095 1.00 1.00 ATOM 166 CA ILE 157 40.340 46.579 45.901 1.00 1.00 ATOM 167 CA ASN 158 38.713 49.304 47.951 1.00 1.00 ATOM 168 CA ASN 159 39.318 49.279 51.690 1.00 1.00 ATOM 169 CA SER 160 37.442 50.772 53.695 1.00 1.00 ATOM 170 CA SER 161 34.779 49.973 51.272 1.00 1.00 ATOM 171 CA PHE 162 32.095 52.027 49.719 1.00 1.00 ATOM 172 CA LEU 163 29.133 50.814 49.727 1.00 1.00 ATOM 173 CA HIS 164 29.647 48.201 52.290 1.00 1.00 ATOM 174 CA SER 165 31.794 49.781 55.045 1.00 1.00 ATOM 175 CA ARG 166 33.900 46.535 55.212 1.00 1.00 ATOM 176 CA LYS 167 37.633 46.749 55.854 1.00 1.00 ATOM 177 CA GLY 168 40.056 43.983 54.869 1.00 1.00 ATOM 178 CA SER 169 42.287 42.679 57.699 1.00 1.00 ATOM 179 CA GLU 170 46.086 42.404 57.256 1.00 1.00 ATOM 180 CA ASP 171 45.689 38.621 56.789 1.00 1.00 ATOM 181 CA ASN 172 43.022 39.248 54.130 1.00 1.00 ATOM 182 CA CYS 173 45.512 41.480 52.379 1.00 1.00 ATOM 183 CA ARG 174 48.268 38.882 52.711 1.00 1.00 ATOM 184 CA GLU 175 46.211 36.309 50.948 1.00 1.00 ATOM 185 CA VAL 176 45.148 38.752 48.221 1.00 1.00 ATOM 186 CA ALA 177 48.819 39.660 47.876 1.00 1.00 ATOM 187 CA ALA 178 49.622 35.930 47.310 1.00 1.00 ATOM 188 CA ALA 179 46.935 35.621 44.601 1.00 1.00 ATOM 189 CA VAL 180 47.988 38.810 42.815 1.00 1.00 ATOM 190 CA ARG 181 51.695 37.882 42.699 1.00 1.00 ATOM 191 CA ASP 182 50.839 34.286 41.618 1.00 1.00 ATOM 192 CA ALA 183 48.662 35.553 38.908 1.00 1.00 ATOM 193 CA GLY 184 50.889 38.559 38.021 1.00 1.00 ATOM 194 CA GLY 185 48.161 41.104 38.281 1.00 1.00 ATOM 195 CA TRP 186 48.372 44.805 39.048 1.00 1.00 ATOM 196 CA VAL 187 46.257 45.754 42.129 1.00 1.00 ATOM 197 CA ALA 188 44.645 49.176 42.241 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:51:08 2002 Date: Tue, 30 Jul 2002 02:51:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:23:16 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_359193_16779 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS007_5 Current information on models submitted in prediction T0147TS007 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_5 PIN_359193_16779 6269-7633-6117 07/30/02 02:23:16 casp5@bialko.llnl.gov T0147TS007_2 PIN_248056_16742 6269-7633-6117 07/30/02 02:12:05 casp5@bialko.llnl.gov T0147TS007_1 PIN_228340_16740 6269-7633-6117 07/30/02 02:10:36 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS007_1 PIN_228340_16740 6269-7633-6117 07/30/02 02:10:36 casp5@bialko.llnl.gov T0147TS007_2 PIN_248056_16742 6269-7633-6117 07/30/02 02:12:05 casp5@bialko.llnl.gov T0147TS007_3 PIN_202045_16731 6269-7633-6117 07/30/02 02:07:45 casp5@bialko.llnl.gov T0147TS007_4 PIN_227752_16738 6269-7633-6117 07/30/02 02:10:02 casp5@bialko.llnl.gov T0147TS007_5 PIN_359193_16779 6269-7633-6117 07/30/02 02:23:16 casp5@bialko.llnl.gov T0147SS007_1 PIN_612760_11795 6269-7633-6117 07/05/02 10:49:53 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 T0147 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1GD9_B # Loading PARENT structure: 1gd9 (chain: B) # Number of residues in PARENT structure: 388 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue N 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue N 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue K 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue I 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 153 # Total number of atoms in model: 153 # Number of atoms with 1.0 occupancy: 153 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 153 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1GD9_B ATOM 544 CA LEU 20 24.360 25.527 23.239 1.00 1.00 ATOM 545 CA SER 21 22.091 24.332 20.413 1.00 1.00 ATOM 546 CA ASP 22 24.476 26.030 17.993 1.00 1.00 ATOM 547 CA TYR 23 27.487 24.268 19.524 1.00 1.00 ATOM 548 CA ILE 24 25.734 20.919 18.954 1.00 1.00 ATOM 549 CA ALA 25 25.034 21.861 15.333 1.00 1.00 ATOM 550 CA GLN 26 28.692 22.838 15.036 1.00 1.00 ATOM 551 CA ALA 27 29.780 19.456 16.417 1.00 1.00 ATOM 552 CA LYS 28 27.563 17.789 13.791 1.00 1.00 ATOM 553 CA GLN 29 29.287 19.773 11.048 1.00 1.00 ATOM 554 CA LYS 30 32.685 18.740 12.459 1.00 1.00 ATOM 555 CA GLY 31 31.537 15.135 12.141 1.00 1.00 ATOM 556 CA ILE 32 31.683 14.242 15.870 1.00 1.00 ATOM 557 CA LYS 33 29.334 11.385 15.177 1.00 1.00 ATOM 558 CA LEU 34 31.473 8.341 16.056 1.00 1.00 ATOM 559 CA PHE 35 31.991 6.439 19.316 1.00 1.00 ATOM 560 CA GLY 41 33.866 8.201 22.080 1.00 1.00 ATOM 561 CA PRO 42 35.591 6.752 25.197 1.00 1.00 ATOM 562 CA ASP 43 33.357 4.893 27.661 1.00 1.00 ATOM 563 CA MET 44 34.494 7.415 30.293 1.00 1.00 ATOM 564 CA GLU 45 33.549 10.339 28.044 1.00 1.00 ATOM 565 CA ASP 46 35.309 12.833 25.751 1.00 1.00 ATOM 566 CA ALA 47 38.545 14.108 27.292 1.00 1.00 ATOM 567 CA PRO 48 37.701 17.685 26.275 1.00 1.00 ATOM 568 CA HIS 49 34.466 17.509 28.282 1.00 1.00 ATOM 569 CA HIS 50 36.112 15.813 31.260 1.00 1.00 ATOM 570 CA TRP 51 38.730 18.589 31.288 1.00 1.00 ATOM 571 CA HIS 52 35.983 21.245 31.135 1.00 1.00 ATOM 572 CA PHE 53 34.147 19.462 33.976 1.00 1.00 ATOM 573 CA ILE 54 37.374 19.307 36.048 1.00 1.00 ATOM 574 CA ASN 55 37.674 23.107 35.754 1.00 1.00 ATOM 575 CA GLY 65 33.982 23.524 36.642 1.00 1.00 ATOM 576 CA VAL 66 34.342 21.277 39.706 1.00 1.00 ATOM 577 CA GLY 67 37.447 23.139 40.874 1.00 1.00 ATOM 578 CA ILE 68 36.162 26.704 40.398 1.00 1.00 ATOM 579 CA LEU 69 32.500 26.192 41.292 1.00 1.00 ATOM 580 CA ARG 70 32.701 23.392 43.873 1.00 1.00 ATOM 581 CA GLY 71 36.255 23.400 45.227 1.00 1.00 ATOM 582 CA ILE 72 36.617 19.792 44.065 1.00 1.00 ATOM 583 CA GLU 73 40.012 18.760 42.698 1.00 1.00 ATOM 584 CA ALA 74 39.550 15.905 40.197 1.00 1.00 ATOM 585 CA ASN 75 41.761 14.389 37.486 1.00 1.00 ATOM 586 CA ILE 76 39.778 14.411 34.202 1.00 1.00 ATOM 587 CA LYS 77 41.734 11.371 32.969 1.00 1.00 ATOM 588 CA ASN 78 40.773 9.011 35.798 1.00 1.00 ATOM 589 CA VAL 79 38.409 10.632 38.302 1.00 1.00 ATOM 590 CA ASP 80 35.691 12.055 36.054 1.00 1.00 ATOM 591 CA GLY 81 33.116 10.157 33.999 1.00 1.00 ATOM 592 CA GLU 82 30.433 11.479 31.655 1.00 1.00 ATOM 593 CA ILE 83 27.083 9.610 31.690 1.00 1.00 ATOM 594 CA ASP 84 23.739 9.430 29.859 1.00 1.00 ATOM 595 CA CYS 85 22.068 11.666 32.409 1.00 1.00 ATOM 596 CA SER 86 23.077 11.894 36.066 1.00 1.00 ATOM 597 CA GLY 87 20.398 9.280 36.781 1.00 1.00 ATOM 598 CA LYS 88 22.817 6.535 35.626 1.00 1.00 ATOM 599 CA MET 89 25.216 7.444 38.435 1.00 1.00 ATOM 601 CA PHE 90 22.855 2.294 39.781 1.00 1.00 ATOM 602 CA ASP 91 26.369 2.285 38.301 1.00 1.00 ATOM 603 CA SER 92 28.001 4.126 41.194 1.00 1.00 ATOM 604 CA LEU 93 26.578 1.787 43.859 1.00 1.00 ATOM 605 CA ASP 94 27.494 -1.245 41.704 1.00 1.00 ATOM 606 CA LEU 95 31.158 -0.275 41.970 1.00 1.00 ATOM 607 CA ILE 96 31.137 -1.431 45.613 1.00 1.00 ATOM 608 CA ILE 97 27.802 -2.447 47.202 1.00 1.00 ATOM 609 CA ALA 98 27.624 -6.066 48.410 1.00 1.00 ATOM 610 CA GLY 99 24.715 -8.412 49.187 1.00 1.00 ATOM 611 CA PHE 100 22.393 -7.141 51.878 1.00 1.00 ATOM 612 CA HIS 101 24.489 -4.015 52.510 1.00 1.00 ATOM 613 CA GLU 102 22.515 -0.966 53.586 1.00 1.00 ATOM 614 CA PRO 103 22.302 2.460 51.983 1.00 1.00 ATOM 615 CA VAL 104 20.904 5.308 54.045 1.00 1.00 ATOM 616 CA PHE 105 18.481 7.367 52.031 1.00 1.00 ATOM 617 CA ALA 106 17.249 10.684 53.503 1.00 1.00 ATOM 618 CA PRO 107 13.513 11.041 52.823 1.00 1.00 ATOM 619 CA HIS 108 11.509 12.668 51.180 1.00 1.00 ATOM 620 CA ASP 109 13.887 11.401 48.510 1.00 1.00 ATOM 621 CA LYS 110 14.352 11.444 44.770 1.00 1.00 ATOM 622 CA ALA 111 12.521 8.462 43.277 1.00 1.00 ATOM 623 CA THR 112 15.603 6.823 41.725 1.00 1.00 ATOM 624 CA ASN 113 17.477 6.342 45.010 1.00 1.00 ATOM 625 CA THR 114 15.881 3.323 46.681 1.00 1.00 ATOM 626 CA GLN 115 15.371 1.366 43.418 1.00 1.00 ATOM 627 CA ALA 116 19.012 1.904 42.441 1.00 1.00 ATOM 628 CA MET 117 20.074 0.459 45.822 1.00 1.00 ATOM 629 CA ILE 118 17.773 -2.565 45.330 1.00 1.00 ATOM 630 CA ALA 119 19.036 -3.112 41.760 1.00 1.00 ATOM 631 CA THR 120 22.665 -2.809 42.909 1.00 1.00 ATOM 632 CA SER 123 21.985 -5.627 45.385 1.00 1.00 ATOM 633 CA GLY 124 21.651 -3.732 48.647 1.00 1.00 ATOM 634 CA ASN 125 18.964 -2.698 51.109 1.00 1.00 ATOM 635 CA VAL 126 17.627 0.862 51.157 1.00 1.00 ATOM 636 CA HIS 127 17.160 2.343 54.642 1.00 1.00 ATOM 637 CA ILE 128 14.984 5.457 54.795 1.00 1.00 ATOM 638 CA ILE 129 16.187 8.245 57.107 1.00 1.00 ATOM 639 CA SER 130 13.425 10.811 57.638 1.00 1.00 ATOM 640 CA HIS 131 14.028 14.570 57.422 1.00 1.00 ATOM 641 CA PRO 132 11.566 16.930 59.121 1.00 1.00 ATOM 642 CA GLY 133 9.777 20.125 58.118 1.00 1.00 ATOM 643 CA ASN 134 10.666 21.727 61.448 1.00 1.00 ATOM 644 CA PRO 135 14.289 21.266 60.338 1.00 1.00 ATOM 645 CA LYS 136 13.354 22.842 56.956 1.00 1.00 ATOM 646 CA TYR 137 13.795 19.226 55.746 1.00 1.00 ATOM 647 CA GLU 138 17.549 19.539 56.248 1.00 1.00 ATOM 648 CA ILE 139 19.112 16.135 56.931 1.00 1.00 ATOM 649 CA ASP 140 19.882 15.715 60.625 1.00 1.00 ATOM 650 CA VAL 141 22.908 13.654 61.750 1.00 1.00 ATOM 651 CA LYS 142 20.905 12.750 64.888 1.00 1.00 ATOM 652 CA ALA 143 18.625 10.802 62.548 1.00 1.00 ATOM 653 CA VAL 144 21.450 9.229 60.531 1.00 1.00 ATOM 654 CA ALA 145 23.025 7.928 63.743 1.00 1.00 ATOM 655 CA GLU 146 19.801 6.141 64.657 1.00 1.00 ATOM 656 CA ALA 147 19.582 4.373 61.289 1.00 1.00 ATOM 657 CA ALA 148 23.180 3.260 60.717 1.00 1.00 ATOM 658 CA ALA 149 24.067 -0.386 61.320 1.00 1.00 ATOM 659 CA LYS 150 27.167 -2.527 60.765 1.00 1.00 ATOM 660 CA HIS 151 25.623 -3.398 57.377 1.00 1.00 ATOM 661 CA GLN 152 25.560 0.241 56.189 1.00 1.00 ATOM 662 CA VAL 153 28.026 1.001 53.373 1.00 1.00 ATOM 663 CA ALA 154 26.676 4.108 51.667 1.00 1.00 ATOM 664 CA LEU 155 24.714 7.311 52.150 1.00 1.00 ATOM 665 CA GLU 156 23.008 9.247 49.366 1.00 1.00 ATOM 666 CA ILE 157 22.712 13.019 49.807 1.00 1.00 ATOM 667 CA ASN 158 20.761 15.458 47.625 1.00 1.00 ATOM 668 CA ASN 159 21.182 19.210 48.091 1.00 1.00 ATOM 669 CA SER 160 19.370 21.184 46.759 1.00 1.00 ATOM 670 CA SER 161 16.754 18.526 47.415 1.00 1.00 ATOM 671 CA PHE 162 14.089 17.121 45.122 1.00 1.00 ATOM 672 CA LEU 163 11.264 17.143 46.419 1.00 1.00 ATOM 673 CA HIS 164 11.688 19.327 49.531 1.00 1.00 ATOM 674 CA SER 165 13.813 22.153 48.126 1.00 1.00 ATOM 675 CA ARG 166 15.982 21.893 51.239 1.00 1.00 ATOM 676 CA LYS 167 19.598 23.048 51.114 1.00 1.00 ATOM 677 CA GLY 168 22.207 21.578 53.433 1.00 1.00 ATOM 678 CA SER 169 24.274 24.302 55.099 1.00 1.00 ATOM 679 CA GLU 170 28.053 24.076 55.267 1.00 1.00 ATOM 680 CA ASP 171 27.857 22.912 58.899 1.00 1.00 ATOM 681 CA ASN 172 25.251 20.282 57.962 1.00 1.00 ATOM 682 CA CYS 173 27.697 18.927 55.399 1.00 1.00 ATOM 683 CA ARG 174 30.611 19.077 57.840 1.00 1.00 ATOM 684 CA GLU 175 28.573 17.056 60.336 1.00 1.00 ATOM 685 CA VAL 176 27.423 14.616 57.653 1.00 1.00 ATOM 686 CA ALA 177 31.037 14.227 56.535 1.00 1.00 ATOM 687 CA ALA 178 32.083 13.271 60.074 1.00 1.00 ATOM 688 CA ALA 179 29.364 10.626 60.186 1.00 1.00 ATOM 689 CA VAL 180 30.339 9.241 56.767 1.00 1.00 ATOM 690 CA ARG 181 33.987 8.968 57.800 1.00 1.00 ATOM 691 CA ASP 182 33.141 7.451 61.198 1.00 1.00 ATOM 692 CA ALA 183 31.098 4.647 59.646 1.00 1.00 ATOM 693 CA GLY 184 33.444 4.204 56.700 1.00 1.00 ATOM 694 CA GLY 185 30.691 4.877 54.204 1.00 1.00 ATOM 695 CA TRP 186 30.745 6.098 50.661 1.00 1.00 ATOM 696 CA VAL 187 28.569 9.154 50.190 1.00 1.00 ATOM 697 CA ALA 188 26.914 9.921 46.859 1.00 1.00 TER END ################################ # # # END # # # ################################