From mailer@bialko.llnl.gov Mon Aug 19 22:07:19 2002 Date: Mon, 19 Aug 2002 22:07:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 21:39:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_524465_28446 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192SS007_1 Current information on models submitted in prediction T0192SS007 MODEL_INDEX PIN CODE DATE E-mail T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0192 MODEL_INDEX PIN CODE DATE E-mail T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 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 T0192 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: 171 # Number of residues with nonzero confidence: 171 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0192 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-18142.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-18396//target-align-18396.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 187.301 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-18142.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc57.25506/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Sat Aug 17 12:12:54 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-18396//target-align-18396.a2m METHOD METHOD guide seq name: seed-seqs-18142.a2m(1), 171 bases, CB7BDADF checksum. METHOD ###end 0 MODEL 1 M C 0.714 A C 0.58 K C 0.461 F E 0.482 V E 0.547 I E 0.526 R E 0.403 P C 0.449 A C 0.549 T C 0.649 A H 0.54 A H 0.562 D H 0.572 C H 0.729 S H 0.749 D H 0.762 I H 0.768 L H 0.766 R H 0.765 L H 0.752 I H 0.731 K H 0.724 E H 0.707 L H 0.666 A H 0.615 K H 0.601 Y H 0.558 E H 0.489 Y H 0.441 M C 0.417 E C 0.46 E C 0.499 Q C 0.53 V C 0.531 I C 0.501 L C 0.498 T C 0.532 E H 0.668 K H 0.704 D H 0.714 L H 0.708 L H 0.715 E H 0.715 D H 0.689 G H 0.65 F H 0.578 G C 0.464 E C 0.561 H C 0.64 P C 0.627 F C 0.59 Y C 0.482 H E 0.462 C E 0.594 L E 0.641 V E 0.644 A E 0.602 E E 0.552 V C 0.399 P C 0.619 K C 0.654 E C 0.621 H C 0.654 W C 0.647 T C 0.653 P C 0.634 E C 0.626 G C 0.618 H C 0.584 S C 0.474 I E 0.507 V E 0.555 G E 0.57 F E 0.599 A E 0.621 M E 0.625 Y E 0.609 Y E 0.543 F E 0.443 T C 0.502 Y C 0.556 D C 0.58 P C 0.53 W C 0.502 I C 0.502 G C 0.535 K C 0.492 L E 0.399 L E 0.537 Y E 0.585 L E 0.593 E E 0.557 D E 0.551 F E 0.59 F E 0.606 V E 0.547 M C 0.505 S H 0.462 D H 0.531 Y H 0.549 R H 0.475 G C 0.52 F C 0.479 G C 0.448 I H 0.558 G H 0.618 S H 0.698 E H 0.725 I H 0.739 L H 0.762 K H 0.782 N H 0.791 L H 0.796 S H 0.805 Q H 0.805 V H 0.792 A H 0.769 M H 0.753 R H 0.722 C H 0.513 R C 0.648 C C 0.624 S C 0.442 S E 0.564 M E 0.613 H E 0.626 F E 0.625 L E 0.592 V E 0.528 A C 0.414 E C 0.522 W C 0.53 N C 0.54 E H 0.574 P H 0.647 S H 0.71 I H 0.72 N H 0.71 F H 0.718 Y H 0.718 K H 0.698 R H 0.69 R H 0.585 G C 0.675 A C 0.616 S E 0.437 D E 0.435 L C 0.39 S C 0.455 S C 0.422 E C 0.387 E C 0.379 G C 0.361 W E 0.341 R E 0.355 L E 0.346 F C 0.377 K C 0.455 I C 0.556 D C 0.644 K H 0.476 E H 0.538 Y H 0.582 L H 0.594 L H 0.588 K H 0.599 M H 0.581 A H 0.544 T H 0.488 E C 0.446 E C 0.566 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:34:28 2002 Date: Fri, 23 Aug 2002 16:34:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 16:06:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_204678_32756 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS007_1 Current information on models submitted in prediction T0192TS007 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_1 PIN_204678_32756 6269-7633-6117 08/23/02 16:06:23 casp5@bialko.llnl.gov T0192TS007_3 PIN_195476_32754 6269-7633-6117 08/23/02 16:05:31 casp5@bialko.llnl.gov T0192TS007_4 PIN_154063_32741 6269-7633-6117 08/23/02 16:01:17 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_1 PIN_204678_32756 6269-7633-6117 08/23/02 16:06:23 casp5@bialko.llnl.gov T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 casp5@bialko.llnl.gov T0192TS007_3 PIN_195476_32754 6269-7633-6117 08/23/02 16:05:31 casp5@bialko.llnl.gov T0192TS007_4 PIN_154063_32741 6269-7633-6117 08/23/02 16:01:17 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 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 T0192 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1QSM_B # Loading PARENT structure: 1qsm (chain: B) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue F 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 135 # Total number of atoms in model: 135 # Number of atoms with 1.0 occupancy: 135 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 135 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1QSM_B ATOM 8 CA LYS 3 9.080 48.225 -17.206 1.00 1.00 ATOM 9 CA PHE 4 9.736 47.081 -13.626 1.00 1.00 ATOM 10 CA VAL 5 7.354 46.183 -10.787 1.00 1.00 ATOM 11 CA ILE 6 7.859 45.228 -7.158 1.00 1.00 ATOM 12 CA ARG 7 5.864 42.751 -5.102 1.00 1.00 ATOM 13 CA PRO 8 6.280 40.571 -2.030 1.00 1.00 ATOM 14 CA ALA 9 8.139 37.301 -2.511 1.00 1.00 ATOM 15 CA THR 10 6.238 34.012 -2.939 1.00 1.00 ATOM 16 CA ALA 11 7.401 30.399 -2.620 1.00 1.00 ATOM 17 CA ALA 12 8.357 30.519 -6.302 1.00 1.00 ATOM 18 CA ASP 13 10.610 33.559 -5.935 1.00 1.00 ATOM 19 CA CYS 14 12.986 31.783 -3.515 1.00 1.00 ATOM 20 CA SER 15 15.429 30.834 -6.289 1.00 1.00 ATOM 21 CA ASP 16 15.906 34.311 -7.741 1.00 1.00 ATOM 22 CA ILE 17 16.024 35.828 -4.259 1.00 1.00 ATOM 23 CA LEU 18 18.861 33.529 -3.170 1.00 1.00 ATOM 24 CA ARG 19 20.731 34.430 -6.363 1.00 1.00 ATOM 25 CA LEU 20 20.543 38.125 -5.389 1.00 1.00 ATOM 26 CA ILE 21 21.238 37.240 -1.742 1.00 1.00 ATOM 27 CA LYS 22 24.503 35.588 -2.840 1.00 1.00 ATOM 28 CA GLU 23 25.455 38.517 -5.083 1.00 1.00 ATOM 29 CA LEU 24 24.646 40.825 -2.147 1.00 1.00 ATOM 30 CA ALA 25 27.012 38.903 0.140 1.00 1.00 ATOM 31 CA LYS 26 29.766 39.104 -2.503 1.00 1.00 ATOM 32 CA TYR 27 29.253 42.860 -2.627 1.00 1.00 ATOM 33 CA GLU 28 29.698 43.145 1.152 1.00 1.00 ATOM 34 CA TYR 29 32.620 40.693 0.931 1.00 1.00 ATOM 35 CA GLU 31 30.955 38.431 3.514 1.00 1.00 ATOM 36 CA GLU 32 29.709 34.849 3.643 1.00 1.00 ATOM 37 CA GLN 33 26.633 33.817 5.647 1.00 1.00 ATOM 38 CA VAL 34 25.731 30.189 6.533 1.00 1.00 ATOM 39 CA ILE 35 23.762 28.479 3.710 1.00 1.00 ATOM 40 CA LEU 36 20.900 27.712 6.086 1.00 1.00 ATOM 41 CA THR 37 20.404 31.399 6.963 1.00 1.00 ATOM 42 CA GLU 38 18.919 31.774 3.481 1.00 1.00 ATOM 43 CA LYS 39 16.247 29.213 4.341 1.00 1.00 ATOM 44 CA ASP 40 15.725 30.815 7.750 1.00 1.00 ATOM 45 CA LEU 41 15.178 34.268 6.246 1.00 1.00 ATOM 46 CA LEU 42 12.829 33.121 3.486 1.00 1.00 ATOM 47 CA GLU 43 10.828 31.203 6.098 1.00 1.00 ATOM 48 CA ASP 44 10.299 34.492 7.969 1.00 1.00 ATOM 49 CA GLY 45 9.343 36.449 4.847 1.00 1.00 ATOM 50 CA PHE 46 6.624 33.874 4.205 1.00 1.00 ATOM 51 CA GLY 47 5.497 33.519 7.832 1.00 1.00 ATOM 52 CA GLU 48 2.671 36.102 8.191 1.00 1.00 ATOM 53 CA HIS 49 3.118 36.051 11.992 1.00 1.00 ATOM 54 CA PRO 50 6.688 37.345 11.767 1.00 1.00 ATOM 55 CA PHE 51 6.933 41.007 10.774 1.00 1.00 ATOM 56 CA TYR 52 9.891 40.521 8.412 1.00 1.00 ATOM 57 CA HIS 53 9.282 40.820 4.694 1.00 1.00 ATOM 58 CA CYS 54 11.001 40.742 1.355 1.00 1.00 ATOM 59 CA LEU 55 9.893 42.278 -1.906 1.00 1.00 ATOM 60 CA VAL 56 11.334 41.512 -5.296 1.00 1.00 ATOM 61 CA ALA 57 11.759 43.668 -8.415 1.00 1.00 ATOM 62 CA GLU 58 10.783 41.955 -11.656 1.00 1.00 ATOM 63 CA VAL 59 10.884 43.047 -15.297 1.00 1.00 ATOM 64 CA PRO 60 7.436 42.887 -16.922 1.00 1.00 ATOM 67 CA LYS 61 9.852 38.355 -15.886 1.00 1.00 ATOM 68 CA GLU 62 13.335 37.855 -14.454 1.00 1.00 ATOM 69 CA ILE 71 13.898 38.783 -10.805 1.00 1.00 ATOM 70 CA VAL 72 16.350 41.699 -10.883 1.00 1.00 ATOM 71 CA GLY 73 16.246 43.182 -7.382 1.00 1.00 ATOM 72 CA PHE 74 15.484 42.535 -3.716 1.00 1.00 ATOM 73 CA ALA 75 14.791 44.490 -0.554 1.00 1.00 ATOM 74 CA MET 76 14.532 42.853 2.861 1.00 1.00 ATOM 75 CA TYR 77 12.914 44.805 5.689 1.00 1.00 ATOM 76 CA TYR 78 11.324 44.357 9.102 1.00 1.00 ATOM 77 CA PHE 79 9.308 45.869 11.939 1.00 1.00 ATOM 78 CA THR 80 10.638 46.850 15.369 1.00 1.00 ATOM 79 CA TYR 81 9.693 48.868 18.440 1.00 1.00 ATOM 80 CA ASP 82 10.621 52.422 19.502 1.00 1.00 ATOM 81 CA PRO 83 10.667 54.244 22.844 1.00 1.00 ATOM 82 CA TRP 84 10.081 57.496 20.958 1.00 1.00 ATOM 83 CA ILE 85 6.603 56.652 19.635 1.00 1.00 ATOM 84 CA GLY 86 3.583 54.342 19.861 1.00 1.00 ATOM 85 CA LYS 87 4.065 53.294 16.242 1.00 1.00 ATOM 87 CA LEU 88 9.522 51.610 12.752 1.00 1.00 ATOM 88 CA LEU 89 10.375 49.724 9.562 1.00 1.00 ATOM 89 CA TYR 90 14.017 49.006 8.912 1.00 1.00 ATOM 90 CA LEU 91 15.281 48.158 5.446 1.00 1.00 ATOM 91 CA GLU 92 18.074 45.708 6.225 1.00 1.00 ATOM 92 CA ASP 93 19.102 44.797 2.665 1.00 1.00 ATOM 93 CA PHE 94 18.865 46.305 -0.829 1.00 1.00 ATOM 94 CA PHE 95 20.337 44.829 -4.031 1.00 1.00 ATOM 95 CA VAL 96 19.756 45.242 -7.779 1.00 1.00 ATOM 96 CA MET 97 21.542 43.073 -10.411 1.00 1.00 ATOM 97 CA SER 98 24.706 44.780 -11.632 1.00 1.00 ATOM 98 CA ASP 99 23.255 44.607 -15.157 1.00 1.00 ATOM 99 CA TYR 100 19.856 46.032 -14.218 1.00 1.00 ATOM 100 CA ARG 101 21.101 49.129 -12.403 1.00 1.00 ATOM 101 CA GLY 102 20.034 52.768 -12.811 1.00 1.00 ATOM 102 CA PHE 103 16.784 51.663 -14.503 1.00 1.00 ATOM 103 CA GLY 104 14.812 52.831 -11.460 1.00 1.00 ATOM 104 CA ILE 105 14.661 49.456 -9.678 1.00 1.00 ATOM 105 CA GLY 106 16.283 50.482 -6.397 1.00 1.00 ATOM 106 CA SER 107 13.962 53.472 -6.176 1.00 1.00 ATOM 107 CA GLU 108 10.886 51.363 -6.915 1.00 1.00 ATOM 108 CA ILE 109 12.034 48.851 -4.267 1.00 1.00 ATOM 109 CA LEU 110 12.345 51.556 -1.586 1.00 1.00 ATOM 110 CA LYS 111 9.085 53.218 -2.672 1.00 1.00 ATOM 111 CA ASN 112 7.290 49.882 -2.365 1.00 1.00 ATOM 112 CA LEU 113 8.421 49.570 1.280 1.00 1.00 ATOM 113 CA SER 114 7.263 53.157 1.913 1.00 1.00 ATOM 114 CA GLN 115 3.796 52.272 0.569 1.00 1.00 ATOM 115 CA VAL 116 3.671 49.008 2.523 1.00 1.00 ATOM 116 CA ALA 117 4.776 50.659 5.772 1.00 1.00 ATOM 117 CA MET 118 2.037 53.268 5.255 1.00 1.00 ATOM 118 CA ARG 119 -0.566 50.489 5.107 1.00 1.00 ATOM 119 CA CYS 120 0.861 48.936 8.260 1.00 1.00 ATOM 120 CA ARG 121 0.522 52.112 10.323 1.00 1.00 ATOM 121 CA CYS 122 4.309 52.222 10.671 1.00 1.00 ATOM 122 CA SER 123 5.338 54.849 8.014 1.00 1.00 ATOM 123 CA SER 124 8.622 55.760 9.724 1.00 1.00 ATOM 124 CA MET 125 11.162 53.894 7.572 1.00 1.00 ATOM 125 CA HIS 126 14.941 54.038 7.953 1.00 1.00 ATOM 126 CA PHE 127 18.131 52.188 7.028 1.00 1.00 ATOM 127 CA LEU 128 21.884 52.615 6.950 1.00 1.00 ATOM 128 CA VAL 129 24.755 52.173 4.530 1.00 1.00 ATOM 129 CA ALA 130 28.540 52.218 4.575 1.00 1.00 ATOM 130 CA GLU 131 29.873 55.776 4.320 1.00 1.00 ATOM 131 CA TRP 132 32.007 54.939 1.259 1.00 1.00 ATOM 132 CA ASN 133 28.959 53.611 -0.640 1.00 1.00 ATOM 133 CA GLU 134 28.427 56.647 -2.866 1.00 1.00 ATOM 134 CA PRO 135 26.674 54.674 -5.609 1.00 1.00 ATOM 135 CA SER 136 23.845 53.731 -3.238 1.00 1.00 ATOM 136 CA ILE 137 23.791 57.179 -1.625 1.00 1.00 ATOM 137 CA ASN 138 23.064 58.815 -5.022 1.00 1.00 ATOM 138 CA PHE 139 19.637 57.129 -4.691 1.00 1.00 ATOM 139 CA TYR 140 19.370 57.577 -0.919 1.00 1.00 ATOM 140 CA LYS 141 19.541 61.383 -0.933 1.00 1.00 ATOM 141 CA ARG 142 16.594 61.419 -3.368 1.00 1.00 ATOM 142 CA ARG 143 14.196 59.200 -1.390 1.00 1.00 ATOM 143 CA GLY 144 15.412 60.091 2.088 1.00 1.00 ATOM 144 CA ALA 145 17.915 62.144 4.054 1.00 1.00 ATOM 145 CA SER 146 21.158 61.523 5.957 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:27:40 2002 Date: Fri, 23 Aug 2002 16:27:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 15:59:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_736557_32736 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS007_2 Current information on models submitted in prediction T0192TS007 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 casp5@bialko.llnl.gov T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 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 T0192 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1QSM_C # Loading PARENT structure: 1qsm (chain: C) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue F 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 135 # Total number of atoms in model: 135 # Number of atoms with 1.0 occupancy: 135 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 135 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1QSM_C ATOM 8 CA LYS 3 45.264 84.047 34.995 1.00 1.00 ATOM 9 CA PHE 4 46.237 82.959 31.470 1.00 1.00 ATOM 10 CA VAL 5 47.452 85.275 28.712 1.00 1.00 ATOM 11 CA ILE 6 48.208 84.659 25.047 1.00 1.00 ATOM 12 CA ARG 7 50.875 86.368 22.951 1.00 1.00 ATOM 13 CA PRO 8 53.055 85.976 19.861 1.00 1.00 ATOM 14 CA ALA 9 56.241 83.985 20.442 1.00 1.00 ATOM 15 CA THR 10 59.633 85.667 20.782 1.00 1.00 ATOM 16 CA ALA 11 63.196 84.325 20.576 1.00 1.00 ATOM 17 CA ALA 12 63.058 83.528 24.301 1.00 1.00 ATOM 18 CA ASP 13 60.020 81.285 23.891 1.00 1.00 ATOM 19 CA CYS 14 61.938 78.855 21.678 1.00 1.00 ATOM 20 CA SER 15 62.656 76.204 24.328 1.00 1.00 ATOM 21 CA ASP 16 59.207 76.519 25.900 1.00 1.00 ATOM 22 CA ILE 17 57.612 76.162 22.454 1.00 1.00 ATOM 23 CA LEU 18 59.759 73.212 21.302 1.00 1.00 ATOM 24 CA ARG 19 58.636 71.471 24.489 1.00 1.00 ATOM 25 CA LEU 20 54.937 71.669 23.622 1.00 1.00 ATOM 26 CA ILE 21 55.889 70.929 20.027 1.00 1.00 ATOM 27 CA LYS 22 57.346 67.555 21.055 1.00 1.00 ATOM 28 CA GLU 23 54.396 66.817 23.363 1.00 1.00 ATOM 29 CA LEU 24 52.078 67.634 20.446 1.00 1.00 ATOM 30 CA ALA 25 54.080 65.169 18.333 1.00 1.00 ATOM 31 CA LYS 26 53.725 62.465 20.985 1.00 1.00 ATOM 32 CA TYR 27 49.963 63.076 21.088 1.00 1.00 ATOM 33 CA GLU 28 49.647 62.485 17.331 1.00 1.00 ATOM 34 CA TYR 29 52.096 59.575 17.626 1.00 1.00 ATOM 35 CA GLU 31 54.444 61.047 14.999 1.00 1.00 ATOM 36 CA GLU 32 58.064 62.185 14.825 1.00 1.00 ATOM 37 CA GLN 33 59.352 65.249 12.963 1.00 1.00 ATOM 38 CA VAL 34 63.103 65.983 12.548 1.00 1.00 ATOM 39 CA ILE 35 64.619 68.593 14.928 1.00 1.00 ATOM 40 CA LEU 36 65.306 70.796 11.911 1.00 1.00 ATOM 41 CA THR 37 61.578 71.379 11.393 1.00 1.00 ATOM 42 CA GLU 38 61.473 72.780 14.947 1.00 1.00 ATOM 43 CA LYS 39 63.981 75.448 13.915 1.00 1.00 ATOM 44 CA ASP 40 62.469 75.930 10.447 1.00 1.00 ATOM 45 CA LEU 41 58.976 76.539 11.798 1.00 1.00 ATOM 46 CA LEU 42 60.230 78.784 14.587 1.00 1.00 ATOM 47 CA GLU 43 62.348 80.692 12.098 1.00 1.00 ATOM 48 CA ASP 44 59.251 81.326 9.976 1.00 1.00 ATOM 49 CA GLY 45 57.264 82.474 13.012 1.00 1.00 ATOM 50 CA PHE 46 59.814 85.180 13.848 1.00 1.00 ATOM 51 CA GLY 47 60.370 86.175 10.204 1.00 1.00 ATOM 52 CA GLU 48 57.904 89.055 9.525 1.00 1.00 ATOM 53 CA HIS 49 57.997 88.415 5.781 1.00 1.00 ATOM 54 CA PRO 50 56.519 84.924 6.206 1.00 1.00 ATOM 55 CA PHE 51 52.817 84.980 7.118 1.00 1.00 ATOM 56 CA TYR 52 53.151 82.078 9.538 1.00 1.00 ATOM 57 CA HIS 53 52.721 82.715 13.245 1.00 1.00 ATOM 58 CA CYS 54 52.698 81.075 16.644 1.00 1.00 ATOM 59 CA LEU 55 51.184 82.301 19.888 1.00 1.00 ATOM 60 CA VAL 56 51.799 80.973 23.377 1.00 1.00 ATOM 61 CA ALA 57 49.496 80.708 26.389 1.00 1.00 ATOM 62 CA GLU 58 51.304 81.735 29.548 1.00 1.00 ATOM 63 CA VAL 59 50.573 81.600 33.268 1.00 1.00 ATOM 64 CA PRO 60 50.428 85.202 34.440 1.00 1.00 ATOM 67 CA LYS 61 56.153 82.707 32.989 1.00 1.00 ATOM 68 CA GLU 62 55.225 79.100 32.322 1.00 1.00 ATOM 69 CA ILE 71 54.382 78.387 28.684 1.00 1.00 ATOM 70 CA VAL 72 51.325 76.154 28.970 1.00 1.00 ATOM 71 CA GLY 73 49.903 76.462 25.463 1.00 1.00 ATOM 72 CA PHE 74 50.803 76.678 21.785 1.00 1.00 ATOM 73 CA ALA 75 48.951 77.639 18.596 1.00 1.00 ATOM 74 CA MET 76 50.528 77.670 15.143 1.00 1.00 ATOM 75 CA TYR 77 48.689 79.325 12.260 1.00 1.00 ATOM 76 CA TYR 78 49.310 80.781 8.826 1.00 1.00 ATOM 77 CA PHE 79 47.860 82.741 5.931 1.00 1.00 ATOM 78 CA THR 80 46.896 81.258 2.566 1.00 1.00 ATOM 79 CA TYR 81 44.919 82.156 -0.566 1.00 1.00 ATOM 80 CA ASP 82 41.446 81.140 -1.726 1.00 1.00 ATOM 81 CA PRO 83 39.528 81.363 -4.991 1.00 1.00 ATOM 82 CA TRP 84 36.262 82.068 -3.175 1.00 1.00 ATOM 83 CA ILE 85 37.233 85.540 -2.029 1.00 1.00 ATOM 84 CA GLY 86 39.632 88.472 -2.393 1.00 1.00 ATOM 85 CA LYS 87 40.577 88.011 1.269 1.00 1.00 ATOM 87 CA LEU 88 42.250 82.811 5.020 1.00 1.00 ATOM 88 CA LEU 89 44.008 81.807 8.218 1.00 1.00 ATOM 89 CA TYR 90 44.497 78.127 8.926 1.00 1.00 ATOM 90 CA LEU 91 45.202 76.984 12.477 1.00 1.00 ATOM 91 CA GLU 92 47.598 74.114 11.825 1.00 1.00 ATOM 92 CA ASP 93 48.478 73.143 15.416 1.00 1.00 ATOM 93 CA PHE 94 47.081 73.535 18.943 1.00 1.00 ATOM 94 CA PHE 95 48.290 71.967 22.177 1.00 1.00 ATOM 95 CA VAL 96 47.602 72.833 25.786 1.00 1.00 ATOM 96 CA MET 97 49.758 71.517 28.643 1.00 1.00 ATOM 97 CA SER 98 48.251 68.241 29.881 1.00 1.00 ATOM 98 CA ASP 99 48.103 69.631 33.439 1.00 1.00 ATOM 99 CA TYR 100 46.781 73.049 32.386 1.00 1.00 ATOM 100 CA ARG 101 43.729 71.780 30.501 1.00 1.00 ATOM 101 CA GLY 102 40.105 72.883 31.034 1.00 1.00 ATOM 102 CA PHE 103 41.369 76.219 32.384 1.00 1.00 ATOM 103 CA GLY 104 40.387 78.144 29.251 1.00 1.00 ATOM 104 CA ILE 105 43.793 78.173 27.544 1.00 1.00 ATOM 105 CA GLY 106 42.510 76.536 24.365 1.00 1.00 ATOM 106 CA SER 107 39.595 78.921 24.073 1.00 1.00 ATOM 107 CA GLU 108 41.979 81.824 24.614 1.00 1.00 ATOM 108 CA ILE 109 44.480 80.593 22.022 1.00 1.00 ATOM 109 CA LEU 110 41.783 80.343 19.339 1.00 1.00 ATOM 110 CA LYS 111 40.261 83.687 20.363 1.00 1.00 ATOM 111 CA ASN 112 43.711 85.287 20.000 1.00 1.00 ATOM 112 CA LEU 113 43.998 84.022 16.418 1.00 1.00 ATOM 113 CA SER 114 40.535 85.441 15.653 1.00 1.00 ATOM 114 CA GLN 115 41.531 88.881 16.909 1.00 1.00 ATOM 115 CA VAL 116 44.903 88.853 15.134 1.00 1.00 ATOM 116 CA ALA 117 43.242 87.625 11.930 1.00 1.00 ATOM 117 CA MET 118 40.647 90.422 12.107 1.00 1.00 ATOM 118 CA ARG 119 43.419 93.012 12.393 1.00 1.00 ATOM 119 CA CYS 120 44.914 91.420 9.266 1.00 1.00 ATOM 120 CA ARG 121 41.788 91.679 7.153 1.00 1.00 ATOM 121 CA CYS 122 41.613 87.876 6.935 1.00 1.00 ATOM 122 CA SER 123 38.816 87.024 9.428 1.00 1.00 ATOM 123 CA SER 124 38.075 83.648 7.849 1.00 1.00 ATOM 124 CA MET 125 39.729 81.177 10.224 1.00 1.00 ATOM 125 CA HIS 126 39.456 77.380 10.036 1.00 1.00 ATOM 126 CA PHE 127 41.112 74.176 11.209 1.00 1.00 ATOM 127 CA LEU 128 40.509 70.426 11.099 1.00 1.00 ATOM 128 CA VAL 129 40.816 67.627 13.644 1.00 1.00 ATOM 129 CA ALA 130 40.506 63.862 13.949 1.00 1.00 ATOM 130 CA GLU 131 36.895 62.719 13.923 1.00 1.00 ATOM 131 CA TRP 132 37.570 60.772 17.127 1.00 1.00 ATOM 132 CA ASN 133 39.003 63.819 18.961 1.00 1.00 ATOM 133 CA GLU 134 35.958 64.466 21.161 1.00 1.00 ATOM 134 CA PRO 135 38.009 66.246 23.820 1.00 1.00 ATOM 135 CA SER 136 39.079 69.032 21.425 1.00 1.00 ATOM 136 CA ILE 137 35.683 69.199 19.699 1.00 1.00 ATOM 137 CA ASN 138 34.018 69.860 23.073 1.00 1.00 ATOM 138 CA PHE 139 35.843 73.190 22.701 1.00 1.00 ATOM 139 CA TYR 140 35.647 73.656 18.917 1.00 1.00 ATOM 140 CA LYS 141 31.868 73.300 18.928 1.00 1.00 ATOM 141 CA ARG 142 31.776 76.361 21.221 1.00 1.00 ATOM 142 CA ARG 143 34.058 78.650 19.175 1.00 1.00 ATOM 143 CA GLY 144 33.353 77.248 15.731 1.00 1.00 ATOM 144 CA ALA 145 31.042 75.146 13.625 1.00 1.00 ATOM 145 CA SER 146 31.619 71.808 11.917 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:33:28 2002 Date: Fri, 23 Aug 2002 16:33:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 16:05:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_195476_32754 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS007_3 Current information on models submitted in prediction T0192TS007 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_3 PIN_195476_32754 6269-7633-6117 08/23/02 16:05:31 casp5@bialko.llnl.gov T0192TS007_4 PIN_154063_32741 6269-7633-6117 08/23/02 16:01:17 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 casp5@bialko.llnl.gov T0192TS007_3 PIN_195476_32754 6269-7633-6117 08/23/02 16:05:31 casp5@bialko.llnl.gov T0192TS007_4 PIN_154063_32741 6269-7633-6117 08/23/02 16:01:17 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 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 T0192 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1QSM_D # Loading PARENT structure: 1qsm (chain: D) # Number of residues in PARENT structure: 152 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue F 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 135 # Total number of atoms in model: 135 # Number of atoms with 1.0 occupancy: 135 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 135 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1QSM_D ATOM 8 CA LYS 3 40.411 61.961 -25.938 1.00 1.00 ATOM 9 CA PHE 4 40.506 65.095 -23.826 1.00 1.00 ATOM 10 CA VAL 5 43.619 67.171 -23.235 1.00 1.00 ATOM 11 CA ILE 6 44.381 69.105 -20.030 1.00 1.00 ATOM 12 CA ARG 7 46.526 72.246 -19.884 1.00 1.00 ATOM 13 CA PRO 8 47.154 75.490 -18.014 1.00 1.00 ATOM 14 CA ALA 9 44.872 78.385 -18.892 1.00 1.00 ATOM 15 CA THR 10 46.042 81.249 -21.154 1.00 1.00 ATOM 16 CA ALA 11 44.493 84.707 -21.645 1.00 1.00 ATOM 17 CA ALA 12 42.457 83.184 -24.490 1.00 1.00 ATOM 18 CA ASP 13 40.809 80.676 -22.159 1.00 1.00 ATOM 19 CA CYS 14 39.246 83.400 -20.007 1.00 1.00 ATOM 20 CA SER 15 35.787 83.371 -21.642 1.00 1.00 ATOM 21 CA ASP 16 35.478 79.593 -21.359 1.00 1.00 ATOM 22 CA ILE 17 36.892 79.193 -17.854 1.00 1.00 ATOM 23 CA LEU 18 34.502 81.866 -16.607 1.00 1.00 ATOM 24 CA ARG 19 31.563 80.089 -18.204 1.00 1.00 ATOM 25 CA LEU 20 32.472 77.018 -16.144 1.00 1.00 ATOM 26 CA ILE 21 33.185 79.146 -13.063 1.00 1.00 ATOM 27 CA LYS 22 29.610 80.451 -13.255 1.00 1.00 ATOM 28 CA GLU 23 28.116 76.957 -13.677 1.00 1.00 ATOM 29 CA LEU 24 30.233 75.801 -10.756 1.00 1.00 ATOM 30 CA ALA 25 28.631 78.568 -8.664 1.00 1.00 ATOM 31 CA LYS 26 25.119 77.579 -9.767 1.00 1.00 ATOM 32 CA TYR 27 25.959 74.070 -8.638 1.00 1.00 ATOM 33 CA GLU 28 27.132 75.262 -5.218 1.00 1.00 ATOM 34 CA TYR 29 24.119 77.616 -5.134 1.00 1.00 ATOM 35 CA GLU 31 26.389 80.597 -4.480 1.00 1.00 ATOM 36 CA GLU 32 26.963 83.878 -6.318 1.00 1.00 ATOM 37 CA GLN 33 30.376 85.526 -6.492 1.00 1.00 ATOM 38 CA VAL 34 30.847 89.090 -7.774 1.00 1.00 ATOM 39 CA ILE 35 32.168 89.199 -11.364 1.00 1.00 ATOM 40 CA LEU 36 35.226 90.964 -9.912 1.00 1.00 ATOM 41 CA THR 37 36.435 87.772 -8.228 1.00 1.00 ATOM 42 CA GLU 38 36.467 85.927 -11.575 1.00 1.00 ATOM 43 CA LYS 39 38.852 88.594 -12.882 1.00 1.00 ATOM 44 CA ASP 40 41.033 88.410 -9.743 1.00 1.00 ATOM 45 CA LEU 41 41.332 84.635 -9.886 1.00 1.00 ATOM 46 CA LEU 42 42.248 84.698 -13.560 1.00 1.00 ATOM 47 CA GLU 43 44.683 87.488 -12.780 1.00 1.00 ATOM 48 CA ASP 44 46.447 85.277 -10.240 1.00 1.00 ATOM 49 CA GLY 45 46.430 82.174 -12.484 1.00 1.00 ATOM 50 CA PHE 46 48.250 84.063 -15.238 1.00 1.00 ATOM 51 CA GLY 47 50.696 85.688 -12.798 1.00 1.00 ATOM 52 CA GLU 48 53.758 83.361 -12.527 1.00 1.00 ATOM 53 CA HIS 49 54.869 85.059 -9.294 1.00 1.00 ATOM 54 CA PRO 50 51.630 84.074 -7.544 1.00 1.00 ATOM 55 CA PHE 51 51.449 80.363 -6.674 1.00 1.00 ATOM 56 CA TYR 52 47.825 79.982 -7.824 1.00 1.00 ATOM 57 CA HIS 53 47.081 78.078 -11.022 1.00 1.00 ATOM 58 CA CYS 54 44.264 76.861 -13.215 1.00 1.00 ATOM 59 CA LEU 55 44.136 74.066 -15.749 1.00 1.00 ATOM 60 CA VAL 56 41.366 73.475 -18.237 1.00 1.00 ATOM 61 CA ALA 57 40.053 70.330 -19.986 1.00 1.00 ATOM 62 CA GLU 58 39.683 70.692 -23.723 1.00 1.00 ATOM 63 CA VAL 59 38.214 68.448 -26.425 1.00 1.00 ATOM 64 CA PRO 60 40.879 67.179 -28.816 1.00 1.00 ATOM 67 CA LYS 61 39.428 73.202 -28.731 1.00 1.00 ATOM 68 CA GLU 62 36.200 73.487 -26.709 1.00 1.00 ATOM 69 CA ILE 71 36.636 73.903 -22.938 1.00 1.00 ATOM 70 CA VAL 72 34.705 71.303 -20.921 1.00 1.00 ATOM 71 CA GLY 73 36.526 71.144 -17.597 1.00 1.00 ATOM 72 CA PHE 74 38.171 73.350 -15.001 1.00 1.00 ATOM 73 CA ALA 75 40.461 72.885 -12.013 1.00 1.00 ATOM 74 CA MET 76 41.742 75.713 -9.785 1.00 1.00 ATOM 75 CA TYR 77 44.537 74.999 -7.305 1.00 1.00 ATOM 76 CA TYR 78 47.264 76.748 -5.303 1.00 1.00 ATOM 77 CA PHE 79 50.352 76.348 -3.124 1.00 1.00 ATOM 78 CA THR 80 50.449 77.002 0.627 1.00 1.00 ATOM 79 CA TYR 81 52.630 76.320 3.665 1.00 1.00 ATOM 80 CA ASP 82 52.355 73.636 6.348 1.00 1.00 ATOM 81 CA PRO 83 54.042 73.464 9.763 1.00 1.00 ATOM 82 CA TRP 84 54.278 69.693 9.296 1.00 1.00 ATOM 83 CA ILE 85 56.943 69.794 6.553 1.00 1.00 ATOM 84 CA GLY 86 59.715 71.853 4.913 1.00 1.00 ATOM 85 CA LYS 87 57.967 71.655 1.545 1.00 1.00 ATOM 87 CA LEU 88 51.587 71.559 -0.346 1.00 1.00 ATOM 88 CA LEU 89 48.855 71.966 -2.969 1.00 1.00 ATOM 89 CA TYR 90 45.139 72.532 -2.541 1.00 1.00 ATOM 90 CA LEU 91 42.635 71.832 -5.294 1.00 1.00 ATOM 91 CA GLU 92 40.081 74.524 -4.546 1.00 1.00 ATOM 92 CA ASP 93 37.744 73.953 -7.485 1.00 1.00 ATOM 93 CA PHE 94 36.851 71.252 -10.000 1.00 1.00 ATOM 94 CA PHE 95 34.039 71.311 -12.533 1.00 1.00 ATOM 95 CA VAL 96 33.203 69.413 -15.698 1.00 1.00 ATOM 96 CA MET 97 30.323 70.342 -18.032 1.00 1.00 ATOM 97 CA SER 98 27.160 68.321 -17.455 1.00 1.00 ATOM 98 CA ASP 99 27.274 66.921 -21.010 1.00 1.00 ATOM 99 CA TYR 100 30.939 65.940 -20.741 1.00 1.00 ATOM 100 CA ARG 101 30.792 63.964 -17.495 1.00 1.00 ATOM 101 CA GLY 102 31.707 60.311 -16.967 1.00 1.00 ATOM 102 CA PHE 103 34.180 60.567 -19.881 1.00 1.00 ATOM 103 CA GLY 104 37.342 60.687 -17.752 1.00 1.00 ATOM 104 CA ILE 105 37.670 64.494 -17.715 1.00 1.00 ATOM 105 CA GLY 106 37.443 64.876 -13.934 1.00 1.00 ATOM 106 CA SER 107 40.133 62.307 -13.263 1.00 1.00 ATOM 107 CA GLU 108 42.513 63.733 -15.890 1.00 1.00 ATOM 108 CA ILE 109 42.241 67.186 -14.314 1.00 1.00 ATOM 109 CA LEU 110 43.189 65.871 -10.844 1.00 1.00 ATOM 110 CA LYS 111 45.998 63.847 -12.425 1.00 1.00 ATOM 111 CA ASN 112 47.367 66.966 -14.147 1.00 1.00 ATOM 112 CA LEU 113 47.601 68.690 -10.740 1.00 1.00 ATOM 113 CA SER 114 49.408 65.653 -9.331 1.00 1.00 ATOM 114 CA GLN 115 52.029 65.813 -12.080 1.00 1.00 ATOM 115 CA VAL 116 52.545 69.554 -11.677 1.00 1.00 ATOM 116 CA ALA 117 52.839 69.059 -7.910 1.00 1.00 ATOM 117 CA MET 118 55.529 66.457 -8.588 1.00 1.00 ATOM 118 CA ARG 119 57.352 68.972 -10.829 1.00 1.00 ATOM 119 CA CYS 120 57.086 71.754 -8.219 1.00 1.00 ATOM 120 CA ARG 121 58.621 69.671 -5.445 1.00 1.00 ATOM 121 CA CYS 122 55.287 69.761 -3.595 1.00 1.00 ATOM 122 CA SER 123 53.595 66.338 -4.285 1.00 1.00 ATOM 123 CA SER 124 51.253 66.519 -1.291 1.00 1.00 ATOM 124 CA MET 125 47.931 67.421 -2.966 1.00 1.00 ATOM 125 CA HIS 126 44.589 67.541 -1.128 1.00 1.00 ATOM 126 CA PHE 127 41.049 68.905 -1.379 1.00 1.00 ATOM 127 CA LEU 128 37.623 68.717 0.240 1.00 1.00 ATOM 128 CA VAL 129 34.078 68.207 -1.005 1.00 1.00 ATOM 129 CA ALA 130 30.591 68.491 0.401 1.00 1.00 ATOM 130 CA GLU 131 29.733 65.374 2.413 1.00 1.00 ATOM 131 CA TRP 132 26.608 64.879 0.276 1.00 1.00 ATOM 132 CA ASN 133 28.532 65.113 -3.014 1.00 1.00 ATOM 133 CA GLU 134 28.475 61.420 -3.953 1.00 1.00 ATOM 134 CA PRO 135 28.771 62.050 -7.684 1.00 1.00 ATOM 135 CA SER 136 32.205 63.577 -6.999 1.00 1.00 ATOM 136 CA ILE 137 33.365 61.200 -4.241 1.00 1.00 ATOM 137 CA ASN 138 32.670 58.405 -6.761 1.00 1.00 ATOM 138 CA PHE 139 35.853 59.746 -8.405 1.00 1.00 ATOM 139 CA TYR 140 37.779 61.002 -5.358 1.00 1.00 ATOM 140 CA LYS 141 37.904 57.502 -3.832 1.00 1.00 ATOM 141 CA ARG 142 39.765 56.417 -6.981 1.00 1.00 ATOM 142 CA ARG 143 42.395 59.195 -7.056 1.00 1.00 ATOM 143 CA GLY 144 42.634 59.880 -3.328 1.00 1.00 ATOM 144 CA ALA 145 41.440 58.768 0.089 1.00 1.00 ATOM 145 CA SER 146 38.950 60.076 2.643 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:29:19 2002 Date: Fri, 23 Aug 2002 16:29:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 16:01:17 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_154063_32741 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS007_4 Current information on models submitted in prediction T0192TS007 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_4 PIN_154063_32741 6269-7633-6117 08/23/02 16:01:17 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 casp5@bialko.llnl.gov T0192TS007_4 PIN_154063_32741 6269-7633-6117 08/23/02 16:01:17 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 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 T0192 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1QSO_A # Loading PARENT structure: 1qso (chain: A) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue F 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 135 # Total number of atoms in model: 135 # Number of atoms with 1.0 occupancy: 135 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 135 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1QSO_A ATOM 8 CA LYS 3 83.795 138.649 51.351 1.00 1.00 ATOM 9 CA PHE 4 84.298 140.252 47.923 1.00 1.00 ATOM 10 CA VAL 5 81.613 141.385 45.443 1.00 1.00 ATOM 11 CA ILE 6 82.078 141.843 41.676 1.00 1.00 ATOM 12 CA ARG 7 80.195 144.525 39.728 1.00 1.00 ATOM 13 CA PRO 8 80.525 146.497 36.486 1.00 1.00 ATOM 14 CA ALA 9 82.554 149.672 36.984 1.00 1.00 ATOM 15 CA THR 10 80.682 152.901 37.722 1.00 1.00 ATOM 16 CA ALA 11 81.798 156.446 36.886 1.00 1.00 ATOM 17 CA ALA 12 82.902 156.535 40.532 1.00 1.00 ATOM 18 CA ASP 13 85.249 153.540 40.210 1.00 1.00 ATOM 19 CA CYS 14 87.642 154.975 37.620 1.00 1.00 ATOM 20 CA SER 15 90.195 156.192 40.142 1.00 1.00 ATOM 21 CA ASP 16 90.363 152.931 42.076 1.00 1.00 ATOM 22 CA ILE 17 90.490 150.968 38.829 1.00 1.00 ATOM 23 CA LEU 18 93.311 153.234 37.633 1.00 1.00 ATOM 24 CA ARG 19 95.204 152.272 40.786 1.00 1.00 ATOM 25 CA LEU 20 95.169 148.665 39.537 1.00 1.00 ATOM 26 CA ILE 21 95.765 149.578 35.891 1.00 1.00 ATOM 27 CA LYS 22 99.137 150.930 37.006 1.00 1.00 ATOM 28 CA GLU 23 100.011 148.075 39.373 1.00 1.00 ATOM 29 CA LEU 24 99.077 145.775 36.479 1.00 1.00 ATOM 30 CA ALA 25 101.400 147.654 34.129 1.00 1.00 ATOM 31 CA LYS 26 104.319 147.344 36.555 1.00 1.00 ATOM 32 CA TYR 27 103.729 143.617 36.963 1.00 1.00 ATOM 33 CA GLU 28 103.784 143.138 33.185 1.00 1.00 ATOM 34 CA TYR 29 106.794 145.503 32.799 1.00 1.00 ATOM 35 CA GLU 31 104.950 147.960 30.534 1.00 1.00 ATOM 36 CA GLU 32 103.904 151.602 30.352 1.00 1.00 ATOM 37 CA GLN 33 100.824 152.447 28.275 1.00 1.00 ATOM 38 CA VAL 34 100.311 155.939 26.796 1.00 1.00 ATOM 39 CA ILE 35 99.328 158.644 29.315 1.00 1.00 ATOM 40 CA LEU 36 95.691 158.857 28.196 1.00 1.00 ATOM 41 CA THR 37 94.694 155.241 27.563 1.00 1.00 ATOM 42 CA GLU 38 92.996 154.849 30.946 1.00 1.00 ATOM 43 CA LYS 39 90.419 157.383 29.830 1.00 1.00 ATOM 44 CA ASP 40 89.958 155.626 26.483 1.00 1.00 ATOM 45 CA LEU 41 89.318 152.166 27.912 1.00 1.00 ATOM 46 CA LEU 42 87.063 153.584 30.608 1.00 1.00 ATOM 47 CA GLU 43 85.295 155.370 27.784 1.00 1.00 ATOM 48 CA ASP 44 84.253 152.165 26.064 1.00 1.00 ATOM 49 CA GLY 45 83.897 150.465 29.463 1.00 1.00 ATOM 50 CA PHE 46 81.040 152.818 30.259 1.00 1.00 ATOM 51 CA GLY 47 79.580 153.272 26.783 1.00 1.00 ATOM 52 CA GLU 48 76.775 150.671 26.596 1.00 1.00 ATOM 53 CA HIS 49 77.321 150.361 22.852 1.00 1.00 ATOM 54 CA PRO 50 80.961 149.367 22.487 1.00 1.00 ATOM 55 CA PHE 51 80.817 145.911 24.094 1.00 1.00 ATOM 56 CA TYR 52 83.985 146.155 26.171 1.00 1.00 ATOM 57 CA HIS 53 83.174 145.826 29.851 1.00 1.00 ATOM 58 CA CYS 54 85.302 146.047 32.976 1.00 1.00 ATOM 59 CA LEU 55 84.290 144.871 36.419 1.00 1.00 ATOM 60 CA VAL 56 85.903 145.336 39.820 1.00 1.00 ATOM 61 CA ALA 57 85.915 143.257 42.980 1.00 1.00 ATOM 62 CA GLU 58 85.448 145.385 46.087 1.00 1.00 ATOM 63 CA VAL 59 85.819 144.407 49.753 1.00 1.00 ATOM 64 CA PRO 60 82.494 144.003 51.537 1.00 1.00 ATOM 67 CA LYS 61 84.552 148.840 50.430 1.00 1.00 ATOM 68 CA GLU 62 87.863 149.302 48.620 1.00 1.00 ATOM 69 CA ILE 71 88.313 147.982 45.085 1.00 1.00 ATOM 70 CA VAL 72 90.610 144.947 45.142 1.00 1.00 ATOM 71 CA GLY 73 90.879 143.603 41.611 1.00 1.00 ATOM 72 CA PHE 74 89.849 144.307 38.028 1.00 1.00 ATOM 73 CA ALA 75 88.924 142.350 34.916 1.00 1.00 ATOM 74 CA MET 76 88.703 143.940 31.489 1.00 1.00 ATOM 75 CA TYR 77 86.944 141.808 28.895 1.00 1.00 ATOM 76 CA TYR 78 85.245 142.263 25.529 1.00 1.00 ATOM 77 CA PHE 79 83.244 140.761 22.670 1.00 1.00 ATOM 78 CA THR 80 84.493 139.672 19.209 1.00 1.00 ATOM 79 CA TYR 81 83.523 137.619 16.140 1.00 1.00 ATOM 80 CA ASP 82 84.518 134.109 15.005 1.00 1.00 ATOM 81 CA PRO 83 84.517 132.374 11.651 1.00 1.00 ATOM 82 CA TRP 84 83.861 129.158 13.620 1.00 1.00 ATOM 83 CA ILE 85 80.448 130.129 15.076 1.00 1.00 ATOM 84 CA GLY 86 77.397 132.400 14.683 1.00 1.00 ATOM 85 CA LYS 87 78.028 133.484 18.285 1.00 1.00 ATOM 87 CA LEU 88 83.447 135.015 21.855 1.00 1.00 ATOM 88 CA LEU 89 84.395 137.036 24.921 1.00 1.00 ATOM 89 CA TYR 90 88.040 137.647 25.686 1.00 1.00 ATOM 90 CA LEU 91 89.288 138.467 29.158 1.00 1.00 ATOM 91 CA GLU 92 92.081 140.870 28.195 1.00 1.00 ATOM 92 CA ASP 93 93.220 141.818 31.719 1.00 1.00 ATOM 93 CA PHE 94 92.950 140.201 35.141 1.00 1.00 ATOM 94 CA PHE 95 94.633 141.680 38.220 1.00 1.00 ATOM 95 CA VAL 96 94.301 141.521 42.011 1.00 1.00 ATOM 96 CA MET 97 95.847 143.800 44.646 1.00 1.00 ATOM 97 CA SER 98 99.304 142.555 45.629 1.00 1.00 ATOM 98 CA ASP 99 98.689 143.857 49.169 1.00 1.00 ATOM 99 CA TYR 100 95.668 141.563 49.188 1.00 1.00 ATOM 100 CA ARG 101 96.407 138.410 47.163 1.00 1.00 ATOM 101 CA GLY 102 95.435 134.769 47.993 1.00 1.00 ATOM 102 CA PHE 103 91.816 135.371 49.019 1.00 1.00 ATOM 103 CA GLY 104 89.114 134.956 46.382 1.00 1.00 ATOM 104 CA ILE 105 88.966 137.745 43.798 1.00 1.00 ATOM 105 CA GLY 106 89.972 136.493 40.376 1.00 1.00 ATOM 106 CA SER 107 88.215 133.193 40.763 1.00 1.00 ATOM 107 CA GLU 108 85.111 135.290 41.411 1.00 1.00 ATOM 108 CA ILE 109 86.176 137.874 38.826 1.00 1.00 ATOM 109 CA LEU 110 86.418 135.225 36.081 1.00 1.00 ATOM 110 CA LYS 111 83.127 133.730 37.311 1.00 1.00 ATOM 111 CA ASN 112 81.394 137.085 36.898 1.00 1.00 ATOM 112 CA LEU 113 82.421 137.088 33.241 1.00 1.00 ATOM 113 CA SER 114 81.108 133.545 32.735 1.00 1.00 ATOM 114 CA GLN 115 77.755 134.582 34.229 1.00 1.00 ATOM 115 CA VAL 116 77.542 137.799 32.233 1.00 1.00 ATOM 116 CA ALA 117 78.580 136.019 29.053 1.00 1.00 ATOM 117 CA MET 118 75.855 133.424 29.584 1.00 1.00 ATOM 118 CA ARG 119 73.210 136.178 29.715 1.00 1.00 ATOM 119 CA CYS 120 74.753 137.626 26.555 1.00 1.00 ATOM 120 CA ARG 121 74.374 134.339 24.695 1.00 1.00 ATOM 121 CA CYS 122 78.143 134.438 24.089 1.00 1.00 ATOM 122 CA SER 123 79.481 131.869 26.639 1.00 1.00 ATOM 123 CA SER 124 82.715 131.088 24.775 1.00 1.00 ATOM 124 CA MET 125 85.225 132.881 27.046 1.00 1.00 ATOM 125 CA HIS 126 89.034 132.732 26.953 1.00 1.00 ATOM 126 CA PHE 127 92.289 134.404 28.056 1.00 1.00 ATOM 127 CA LEU 128 96.103 134.250 28.043 1.00 1.00 ATOM 128 CA VAL 129 99.073 134.255 30.411 1.00 1.00 ATOM 129 CA ALA 130 102.854 133.843 30.296 1.00 1.00 ATOM 130 CA GLU 131 103.826 130.183 30.130 1.00 1.00 ATOM 131 CA TRP 132 105.785 130.760 33.343 1.00 1.00 ATOM 132 CA ASN 133 102.904 132.277 35.325 1.00 1.00 ATOM 133 CA GLU 134 102.303 129.304 37.611 1.00 1.00 ATOM 134 CA PRO 135 100.629 131.336 40.378 1.00 1.00 ATOM 135 CA SER 136 97.759 132.423 38.111 1.00 1.00 ATOM 136 CA ILE 137 97.658 129.021 36.405 1.00 1.00 ATOM 137 CA ASN 138 96.906 127.299 39.718 1.00 1.00 ATOM 138 CA PHE 139 93.568 129.133 39.385 1.00 1.00 ATOM 139 CA TYR 140 93.101 129.164 35.604 1.00 1.00 ATOM 140 CA LYS 141 93.292 125.359 35.586 1.00 1.00 ATOM 141 CA ARG 142 90.309 125.080 37.969 1.00 1.00 ATOM 142 CA ARG 143 88.024 127.360 35.918 1.00 1.00 ATOM 143 CA GLY 144 89.278 126.703 32.398 1.00 1.00 ATOM 144 CA ALA 145 91.753 124.477 30.565 1.00 1.00 ATOM 145 CA SER 146 94.994 124.986 28.616 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 16:28:29 2002 Date: Fri, 23 Aug 2002 16:28:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0192 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 16:00:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_146361_32739 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0192TS007_5 Current information on models submitted in prediction T0192TS007 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 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 T0192 MODEL_INDEX PIN CODE DATE E-mail T0192TS007_2 PIN_736557_32736 6269-7633-6117 08/23/02 15:59:42 casp5@bialko.llnl.gov T0192TS007_5 PIN_146361_32739 6269-7633-6117 08/23/02 16:00:40 casp5@bialko.llnl.gov T0192SS007_1 PIN_524465_28446 6269-7633-6117 08/19/02 21:39:13 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 T0192 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1QSO_B # Loading PARENT structure: 1qso (chain: B) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue P 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue C 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue R 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue K 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue V 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue L 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue L 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue F 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue F 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue C 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue F 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue M 76 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue T 80 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue L 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue D 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue M 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue R 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue S 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue L 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue C 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue C 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue F 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue V 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue W 132 # IMPORTANT NOTE! Not complete main chain atoms for residue N 133 # IMPORTANT NOTE! Not complete main chain atoms for residue E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue F 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 140 # IMPORTANT NOTE! Not complete main chain atoms for residue K 141 # IMPORTANT NOTE! Not complete main chain atoms for residue R 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue S 146 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0192 # Total number of residues in target: 171 # Total number of residues in model: 135 # Total number of atoms in model: 135 # Number of atoms with 1.0 occupancy: 135 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 135 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0192 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1QSO_B ATOM 8 CA LYS 3 102.908 133.124 -10.124 1.00 1.00 ATOM 9 CA PHE 4 100.340 133.574 -7.357 1.00 1.00 ATOM 10 CA VAL 5 97.797 136.351 -6.896 1.00 1.00 ATOM 11 CA ILE 6 96.237 137.111 -3.506 1.00 1.00 ATOM 12 CA ARG 7 93.035 139.114 -3.552 1.00 1.00 ATOM 13 CA PRO 8 89.846 139.759 -1.657 1.00 1.00 ATOM 14 CA ALA 9 86.986 137.369 -2.292 1.00 1.00 ATOM 15 CA THR 10 84.226 138.335 -4.723 1.00 1.00 ATOM 16 CA ALA 11 80.737 136.819 -4.743 1.00 1.00 ATOM 17 CA ALA 12 81.964 134.588 -7.581 1.00 1.00 ATOM 18 CA ASP 13 84.614 132.947 -5.370 1.00 1.00 ATOM 19 CA CYS 14 82.084 131.470 -2.943 1.00 1.00 ATOM 20 CA SER 15 82.438 128.068 -4.566 1.00 1.00 ATOM 21 CA ASP 16 86.233 128.159 -4.473 1.00 1.00 ATOM 22 CA ILE 17 86.409 129.549 -0.946 1.00 1.00 ATOM 23 CA LEU 18 83.801 127.104 0.325 1.00 1.00 ATOM 24 CA ARG 19 85.731 124.276 -1.342 1.00 1.00 ATOM 25 CA LEU 20 88.860 125.022 0.726 1.00 1.00 ATOM 26 CA ILE 21 86.738 125.930 3.776 1.00 1.00 ATOM 27 CA LYS 22 85.380 122.378 3.785 1.00 1.00 ATOM 28 CA GLU 23 88.852 120.814 3.297 1.00 1.00 ATOM 29 CA LEU 24 90.110 123.068 6.069 1.00 1.00 ATOM 30 CA ALA 25 87.481 121.685 8.445 1.00 1.00 ATOM 31 CA LYS 26 88.381 118.026 8.188 1.00 1.00 ATOM 32 CA TYR 27 92.056 118.920 8.631 1.00 1.00 ATOM 33 CA GLU 28 91.096 120.503 11.950 1.00 1.00 ATOM 34 CA TYR 29 88.713 117.579 12.492 1.00 1.00 ATOM 35 CA GLU 31 85.614 119.777 12.894 1.00 1.00 ATOM 36 CA GLU 32 82.345 120.222 11.014 1.00 1.00 ATOM 37 CA GLN 33 80.415 123.501 11.299 1.00 1.00 ATOM 38 CA VAL 34 76.726 123.895 10.293 1.00 1.00 ATOM 39 CA ILE 35 76.337 124.155 6.519 1.00 1.00 ATOM 40 CA LEU 36 74.526 127.476 6.948 1.00 1.00 ATOM 41 CA THR 37 77.506 129.159 8.646 1.00 1.00 ATOM 42 CA GLU 38 79.558 129.309 5.430 1.00 1.00 ATOM 43 CA LYS 39 76.985 131.813 4.149 1.00 1.00 ATOM 44 CA ASP 40 77.014 133.928 7.305 1.00 1.00 ATOM 45 CA LEU 41 80.802 134.216 7.086 1.00 1.00 ATOM 46 CA LEU 42 80.759 135.037 3.407 1.00 1.00 ATOM 47 CA GLU 43 77.931 137.450 4.144 1.00 1.00 ATOM 48 CA ASP 44 80.126 139.300 6.651 1.00 1.00 ATOM 49 CA GLY 45 83.084 139.030 4.260 1.00 1.00 ATOM 50 CA PHE 46 81.258 140.975 1.577 1.00 1.00 ATOM 51 CA GLY 47 79.546 143.434 3.955 1.00 1.00 ATOM 52 CA GLU 48 81.835 146.498 3.859 1.00 1.00 ATOM 53 CA HIS 49 80.545 147.446 7.294 1.00 1.00 ATOM 54 CA PRO 50 81.352 144.109 8.904 1.00 1.00 ATOM 55 CA PHE 51 85.070 144.282 9.620 1.00 1.00 ATOM 56 CA TYR 52 85.690 140.645 8.629 1.00 1.00 ATOM 57 CA HIS 53 87.508 139.772 5.403 1.00 1.00 ATOM 58 CA CYS 54 88.450 136.784 3.273 1.00 1.00 ATOM 59 CA LEU 55 91.222 136.693 0.721 1.00 1.00 ATOM 60 CA VAL 56 91.883 133.889 -1.725 1.00 1.00 ATOM 61 CA ALA 57 95.112 132.956 -3.518 1.00 1.00 ATOM 62 CA GLU 58 94.414 132.546 -7.214 1.00 1.00 ATOM 63 CA VAL 59 96.844 130.601 -9.362 1.00 1.00 ATOM 64 CA PRO 60 97.517 133.024 -12.219 1.00 1.00 ATOM 67 CA LYS 61 91.572 130.538 -12.449 1.00 1.00 ATOM 68 CA GLU 62 91.715 127.955 -9.665 1.00 1.00 ATOM 69 CA ILE 71 91.654 129.207 -6.088 1.00 1.00 ATOM 70 CA VAL 72 94.350 127.416 -4.102 1.00 1.00 ATOM 71 CA GLY 73 94.556 129.549 -0.961 1.00 1.00 ATOM 72 CA PHE 74 92.259 130.938 1.738 1.00 1.00 ATOM 73 CA ALA 75 92.943 133.336 4.594 1.00 1.00 ATOM 74 CA MET 76 90.208 134.592 6.928 1.00 1.00 ATOM 75 CA TYR 77 90.778 137.542 9.240 1.00 1.00 ATOM 76 CA TYR 78 88.856 140.139 11.239 1.00 1.00 ATOM 77 CA PHE 79 89.175 143.265 13.392 1.00 1.00 ATOM 78 CA THR 80 88.858 143.508 17.196 1.00 1.00 ATOM 79 CA TYR 81 89.537 145.838 20.162 1.00 1.00 ATOM 80 CA ASP 82 92.419 145.845 22.670 1.00 1.00 ATOM 81 CA PRO 83 92.874 147.131 26.193 1.00 1.00 ATOM 82 CA TRP 84 96.543 147.764 25.441 1.00 1.00 ATOM 83 CA ILE 85 96.107 150.348 22.687 1.00 1.00 ATOM 84 CA GLY 86 93.864 152.736 20.750 1.00 1.00 ATOM 85 CA LYS 87 94.110 151.091 17.339 1.00 1.00 ATOM 87 CA LEU 88 94.182 144.539 16.118 1.00 1.00 ATOM 88 CA LEU 89 93.588 141.980 13.375 1.00 1.00 ATOM 89 CA TYR 90 93.217 138.261 14.068 1.00 1.00 ATOM 90 CA LEU 91 93.885 135.731 11.305 1.00 1.00 ATOM 91 CA GLU 92 91.285 133.055 12.070 1.00 1.00 ATOM 92 CA ASP 93 91.799 130.593 9.199 1.00 1.00 ATOM 93 CA PHE 94 94.740 129.852 6.904 1.00 1.00 ATOM 94 CA PHE 95 94.477 127.116 4.312 1.00 1.00 ATOM 95 CA VAL 96 96.381 126.223 1.151 1.00 1.00 ATOM 96 CA MET 97 95.403 123.360 -1.171 1.00 1.00 ATOM 97 CA SER 98 97.274 120.161 -0.294 1.00 1.00 ATOM 98 CA ASP 99 98.318 119.486 -3.904 1.00 1.00 ATOM 99 CA TYR 100 99.038 123.138 -4.602 1.00 1.00 ATOM 100 CA ARG 101 100.769 123.827 -1.260 1.00 1.00 ATOM 101 CA GLY 102 104.158 123.394 -3.031 1.00 1.00 ATOM 102 CA PHE 103 104.623 126.985 -4.327 1.00 1.00 ATOM 103 CA GLY 104 104.273 129.704 -1.669 1.00 1.00 ATOM 104 CA ILE 105 100.629 130.709 -1.288 1.00 1.00 ATOM 105 CA GLY 106 100.355 130.687 2.497 1.00 1.00 ATOM 106 CA SER 107 103.358 132.955 2.678 1.00 1.00 ATOM 107 CA GLU 108 101.800 135.668 0.540 1.00 1.00 ATOM 108 CA ILE 109 98.346 135.335 2.073 1.00 1.00 ATOM 109 CA LEU 110 99.810 136.371 5.409 1.00 1.00 ATOM 110 CA LYS 111 101.662 139.166 3.652 1.00 1.00 ATOM 111 CA ASN 112 98.396 140.304 2.049 1.00 1.00 ATOM 112 CA LEU 113 96.840 140.512 5.504 1.00 1.00 ATOM 113 CA SER 114 99.955 142.349 6.708 1.00 1.00 ATOM 114 CA GLN 115 99.570 145.009 4.032 1.00 1.00 ATOM 115 CA VAL 116 95.804 145.371 4.331 1.00 1.00 ATOM 116 CA ALA 117 96.264 145.796 8.077 1.00 1.00 ATOM 117 CA MET 118 98.654 148.673 7.311 1.00 1.00 ATOM 118 CA ARG 119 96.278 150.270 4.810 1.00 1.00 ATOM 119 CA CYS 120 93.744 150.142 7.671 1.00 1.00 ATOM 120 CA ARG 121 95.845 151.661 10.442 1.00 1.00 ATOM 121 CA CYS 122 95.607 148.543 12.606 1.00 1.00 ATOM 122 CA SER 123 98.976 146.833 11.740 1.00 1.00 ATOM 123 CA SER 124 98.909 144.555 14.790 1.00 1.00 ATOM 124 CA MET 125 98.351 141.164 13.146 1.00 1.00 ATOM 125 CA HIS 126 98.405 137.805 14.936 1.00 1.00 ATOM 126 CA PHE 127 97.209 134.200 14.719 1.00 1.00 ATOM 127 CA LEU 128 97.691 130.881 16.524 1.00 1.00 ATOM 128 CA VAL 129 98.239 127.242 15.623 1.00 1.00 ATOM 129 CA ALA 130 98.468 123.820 17.281 1.00 1.00 ATOM 130 CA GLU 131 101.679 122.928 19.141 1.00 1.00 ATOM 131 CA TRP 132 102.030 119.875 16.865 1.00 1.00 ATOM 132 CA ASN 133 101.669 121.721 13.538 1.00 1.00 ATOM 133 CA GLU 134 105.405 121.888 12.772 1.00 1.00 ATOM 134 CA PRO 135 105.011 122.170 8.982 1.00 1.00 ATOM 135 CA SER 136 103.020 125.408 9.337 1.00 1.00 ATOM 136 CA ILE 137 105.342 126.722 12.053 1.00 1.00 ATOM 137 CA ASN 138 108.216 126.370 9.602 1.00 1.00 ATOM 138 CA PHE 139 106.590 129.333 7.890 1.00 1.00 ATOM 139 CA TYR 140 105.051 131.198 10.820 1.00 1.00 ATOM 140 CA LYS 141 108.486 131.384 12.428 1.00 1.00 ATOM 141 CA ARG 142 109.738 133.339 9.377 1.00 1.00 ATOM 142 CA ARG 143 106.878 135.798 8.781 1.00 1.00 ATOM 143 CA GLY 144 106.194 136.206 12.495 1.00 1.00 ATOM 144 CA ALA 145 107.419 135.196 15.939 1.00 1.00 ATOM 145 CA SER 146 106.145 132.860 18.664 1.00 1.00 TER END ################################ # # # END # # # ################################