From mailer@bialko.llnl.gov Wed Jul 17 08:28:18 2002 Date: Wed, 17 Jul 2002 08:28:13 -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 Wed Jul 17 08:01:00 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_126443_12236 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155SS007_1 Current information on models submitted in prediction T0155SS007 MODEL_INDEX PIN CODE DATE E-mail T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 MODEL_INDEX PIN CODE DATE E-mail T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 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: 133 # Number of residues with nonzero confidence: 133 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0155 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-22396.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-26282//target-align-26282.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 41.2422 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-22396.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc53.364/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: Tue Jul 16 11:47:55 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-26282//target-align-26282.a2m METHOD METHOD guide seq name: seed-seqs-22396.a2m(1), 133 bases, 5C1261 checksum. METHOD ###end 0 MODEL 1 M C 0.654 A C 0.611 D C 0.502 R E 0.511 I E 0.604 E E 0.606 L E 0.581 R E 0.472 G E 0.416 L E 0.448 T E 0.528 V E 0.56 H E 0.554 G E 0.542 R E 0.532 H E 0.507 G E 0.446 V C 0.451 Y C 0.547 D H 0.431 H H 0.565 E H 0.631 R H 0.613 V H 0.568 A H 0.481 G C 0.613 Q C 0.588 R E 0.389 F E 0.656 V E 0.682 I E 0.664 D E 0.614 V E 0.619 T E 0.615 V E 0.606 W E 0.527 I C 0.392 D C 0.55 L C 0.481 A C 0.483 E C 0.46 A C 0.537 A C 0.607 N C 0.619 S C 0.613 D C 0.544 D C 0.553 L H 0.511 A H 0.447 D H 0.442 T H 0.39 Y C 0.455 D C 0.527 Y H 0.679 V H 0.694 R H 0.701 L H 0.709 A H 0.723 S H 0.737 R H 0.735 A H 0.738 A H 0.749 E H 0.756 I H 0.742 V H 0.723 A H 0.693 G H 0.648 P C 0.523 P H 0.564 R H 0.699 K H 0.72 L H 0.745 I H 0.792 E H 0.815 T H 0.811 V H 0.807 G H 0.8 A H 0.815 E H 0.813 I H 0.803 A H 0.788 D H 0.782 H H 0.753 V H 0.721 M H 0.679 D H 0.513 D C 0.565 Q C 0.583 R C 0.536 V C 0.428 H E 0.428 A E 0.549 V E 0.58 E E 0.6 V E 0.616 A E 0.6 V E 0.557 H E 0.428 K C 0.616 P C 0.722 Q C 0.698 A C 0.655 P C 0.632 I C 0.607 P C 0.602 Q C 0.55 T C 0.532 F C 0.527 D C 0.534 D C 0.415 V E 0.468 A E 0.546 V E 0.601 V E 0.615 I E 0.611 R E 0.547 R E 0.429 S C 0.492 R C 0.552 R C 0.488 G C 0.453 G C 0.408 R H 0.43 G H 0.465 W H 0.437 V H 0.383 V C 0.436 P C 0.515 A C 0.551 G C 0.588 G C 0.654 A C 0.776 V C 0.766 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:11:08 2002 Date: Wed, 7 Aug 2002 02:11:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 01:43:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_557835_18769 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS007_1 Current information on models submitted in prediction T0155TS007 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_1 PIN_557835_18769 6269-7633-6117 08/07/02 01:43:06 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_1 PIN_557835_18769 6269-7633-6117 08/07/02 01:43:06 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 2DHN # Loading PARENT structure: 2dhn (chain: ) # Number of residues in PARENT structure: 121 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 118 # Total number of atoms in model: 118 # Number of atoms with 1.0 occupancy: 118 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 118 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 2DHN ATOM 1 CA MET 1 20.508 38.902 91.860 1.00 1.00 ATOM 2 CA ALA 2 21.701 37.523 88.523 1.00 1.00 ATOM 3 CA ASP 3 19.712 39.845 86.239 1.00 1.00 ATOM 4 CA ARG 4 21.655 41.650 83.492 1.00 1.00 ATOM 5 CA ILE 5 21.364 44.020 80.513 1.00 1.00 ATOM 6 CA GLU 6 24.072 43.303 77.936 1.00 1.00 ATOM 7 CA LEU 7 25.632 44.714 74.767 1.00 1.00 ATOM 8 CA ARG 8 27.787 42.086 73.041 1.00 1.00 ATOM 9 CA GLY 9 30.303 42.495 70.227 1.00 1.00 ATOM 10 CA LEU 10 30.123 46.258 69.816 1.00 1.00 ATOM 11 CA THR 11 32.803 47.253 67.281 1.00 1.00 ATOM 12 CA VAL 12 34.407 50.648 66.883 1.00 1.00 ATOM 13 CA HIS 13 37.347 51.656 64.734 1.00 1.00 ATOM 14 CA GLY 14 39.795 53.517 66.922 1.00 1.00 ATOM 15 CA ARG 15 43.403 54.614 67.244 1.00 1.00 ATOM 16 CA HIS 16 44.169 53.376 70.804 1.00 1.00 ATOM 17 CA GLY 17 47.462 51.580 71.502 1.00 1.00 ATOM 18 CA VAL 18 50.889 51.990 73.089 1.00 1.00 ATOM 19 CA TYR 19 52.823 51.905 69.742 1.00 1.00 ATOM 20 CA ASP 20 52.653 55.087 67.562 1.00 1.00 ATOM 21 CA HIS 21 52.138 53.107 64.325 1.00 1.00 ATOM 22 CA GLU 22 48.868 51.698 65.630 1.00 1.00 ATOM 23 CA ARG 23 47.743 55.128 66.888 1.00 1.00 ATOM 24 CA VAL 24 48.374 56.071 63.266 1.00 1.00 ATOM 25 CA ALA 25 46.446 53.414 61.270 1.00 1.00 ATOM 26 CA GLY 26 43.977 52.171 63.904 1.00 1.00 ATOM 27 CA GLN 27 41.987 48.971 64.047 1.00 1.00 ATOM 28 CA ARG 28 38.636 47.554 65.123 1.00 1.00 ATOM 29 CA PHE 29 37.985 47.218 68.895 1.00 1.00 ATOM 30 CA VAL 30 35.283 44.742 70.068 1.00 1.00 ATOM 31 CA ILE 31 33.502 45.605 73.339 1.00 1.00 ATOM 32 CA ASP 32 31.167 43.567 75.576 1.00 1.00 ATOM 33 CA VAL 33 29.448 45.429 78.382 1.00 1.00 ATOM 34 CA THR 34 27.369 43.458 80.928 1.00 1.00 ATOM 35 CA VAL 35 25.407 45.337 83.634 1.00 1.00 ATOM 36 CA TRP 36 24.074 43.965 86.951 1.00 1.00 ATOM 37 CA ILE 37 20.651 45.588 87.258 1.00 1.00 ATOM 38 CA ASP 38 17.565 44.295 89.103 1.00 1.00 ATOM 39 CA LEU 39 14.989 43.960 86.300 1.00 1.00 ATOM 40 CA ALA 40 12.055 42.831 88.401 1.00 1.00 ATOM 41 CA GLU 41 10.537 46.347 88.530 1.00 1.00 ATOM 42 CA ALA 42 10.638 46.873 84.722 1.00 1.00 ATOM 43 CA ALA 43 9.659 43.217 84.407 1.00 1.00 ATOM 44 CA ASN 44 6.266 43.907 85.915 1.00 1.00 ATOM 45 CA SER 45 5.646 47.477 84.750 1.00 1.00 ATOM 46 CA ASP 46 6.913 47.267 81.153 1.00 1.00 ATOM 47 CA ASP 47 7.926 50.955 81.482 1.00 1.00 ATOM 48 CA LEU 48 11.341 51.824 80.049 1.00 1.00 ATOM 49 CA ALA 49 11.891 54.369 82.848 1.00 1.00 ATOM 50 CA ASP 50 12.406 51.503 85.404 1.00 1.00 ATOM 51 CA THR 51 15.403 49.866 83.680 1.00 1.00 ATOM 52 CA TYR 52 18.604 51.083 82.055 1.00 1.00 ATOM 53 CA ASP 53 18.004 51.925 78.370 1.00 1.00 ATOM 54 CA TYR 54 20.595 49.930 76.337 1.00 1.00 ATOM 55 CA VAL 55 20.617 52.488 73.527 1.00 1.00 ATOM 56 CA ARG 56 21.958 55.118 75.908 1.00 1.00 ATOM 57 CA LEU 57 24.626 52.799 77.238 1.00 1.00 ATOM 58 CA ALA 58 25.818 52.187 73.679 1.00 1.00 ATOM 59 CA SER 59 26.089 55.916 73.193 1.00 1.00 ATOM 60 CA ARG 60 28.261 56.070 76.255 1.00 1.00 ATOM 61 CA ALA 61 30.537 53.217 75.102 1.00 1.00 ATOM 62 CA ALA 62 30.747 54.796 71.626 1.00 1.00 ATOM 63 CA GLU 63 31.713 58.196 72.994 1.00 1.00 ATOM 64 CA ILE 64 34.751 56.680 74.714 1.00 1.00 ATOM 65 CA VAL 65 35.839 54.069 72.170 1.00 1.00 ATOM 66 CA ALA 66 35.590 56.683 69.375 1.00 1.00 ATOM 67 CA GLY 67 36.924 59.690 71.315 1.00 1.00 ATOM 68 CA PRO 68 40.489 60.639 72.293 1.00 1.00 ATOM 69 CA PRO 69 43.227 57.970 71.877 1.00 1.00 ATOM 70 CA ARG 70 44.775 56.211 74.865 1.00 1.00 ATOM 71 CA LYS 71 47.619 53.737 75.224 1.00 1.00 ATOM 72 CA LEU 72 45.813 50.927 77.057 1.00 1.00 ATOM 73 CA ILE 73 42.635 48.880 76.762 1.00 1.00 ATOM 74 CA GLU 74 42.641 48.918 80.639 1.00 1.00 ATOM 75 CA THR 75 42.214 52.687 80.649 1.00 1.00 ATOM 76 CA VAL 76 39.442 52.663 77.977 1.00 1.00 ATOM 77 CA GLY 77 37.564 50.007 79.953 1.00 1.00 ATOM 78 CA ALA 78 38.055 51.939 83.239 1.00 1.00 ATOM 79 CA GLU 79 36.635 55.090 81.584 1.00 1.00 ATOM 80 CA ILE 80 33.663 53.145 80.201 1.00 1.00 ATOM 81 CA ALA 81 32.783 51.431 83.514 1.00 1.00 ATOM 82 CA ASP 82 33.120 54.688 85.391 1.00 1.00 ATOM 83 CA HIS 83 30.945 56.436 82.851 1.00 1.00 ATOM 84 CA VAL 84 28.166 53.903 83.179 1.00 1.00 ATOM 85 CA MET 85 28.368 53.639 86.972 1.00 1.00 ATOM 87 CA ASP 86 25.123 58.036 85.278 1.00 1.00 ATOM 88 CA ASP 87 23.095 54.986 86.179 1.00 1.00 ATOM 89 CA GLN 88 22.419 54.389 89.831 1.00 1.00 ATOM 90 CA ARG 89 20.313 51.284 88.984 1.00 1.00 ATOM 91 CA VAL 90 23.504 49.669 87.754 1.00 1.00 ATOM 92 CA HIS 91 25.075 47.727 90.652 1.00 1.00 ATOM 93 CA ALA 92 28.176 46.482 88.761 1.00 1.00 ATOM 94 CA VAL 93 29.656 47.119 85.301 1.00 1.00 ATOM 95 CA GLU 94 31.789 44.498 83.473 1.00 1.00 ATOM 96 CA VAL 95 33.645 45.707 80.338 1.00 1.00 ATOM 97 CA ALA 96 35.601 43.440 78.000 1.00 1.00 ATOM 98 CA VAL 97 37.603 44.952 75.176 1.00 1.00 ATOM 99 CA HIS 98 39.156 42.706 72.558 1.00 1.00 ATOM 100 CA LYS 99 41.758 43.626 69.908 1.00 1.00 ATOM 101 CA PRO 100 41.209 40.925 67.272 1.00 1.00 ATOM 102 CA GLN 101 44.105 42.203 65.213 1.00 1.00 ATOM 103 CA ALA 102 46.705 43.792 67.505 1.00 1.00 ATOM 104 CA PRO 103 50.421 44.420 66.572 1.00 1.00 ATOM 105 CA ILE 104 51.375 40.764 67.390 1.00 1.00 ATOM 106 CA PRO 105 53.186 38.491 64.842 1.00 1.00 ATOM 107 CA GLN 106 51.141 35.317 65.038 1.00 1.00 ATOM 108 CA THR 107 47.898 33.395 64.744 1.00 1.00 ATOM 109 CA PHE 108 45.143 33.933 67.296 1.00 1.00 ATOM 110 CA ASP 109 41.498 34.911 67.614 1.00 1.00 ATOM 111 CA ASP 110 42.109 37.887 69.970 1.00 1.00 ATOM 112 CA VAL 111 43.794 39.451 73.006 1.00 1.00 ATOM 113 CA ALA 112 42.362 41.829 75.550 1.00 1.00 ATOM 114 CA VAL 113 41.179 42.694 79.006 1.00 1.00 ATOM 115 CA VAL 114 38.045 42.500 81.148 1.00 1.00 ATOM 116 CA ILE 115 37.369 44.476 84.374 1.00 1.00 ATOM 117 CA ARG 116 34.404 44.364 86.772 1.00 1.00 ATOM 118 CA ARG 117 33.504 47.513 88.761 1.00 1.00 ATOM 119 CA SER 118 30.710 47.854 91.314 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:06:18 2002 Date: Wed, 7 Aug 2002 02:06:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 01:38:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_511121_18755 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS007_2 Current information on models submitted in prediction T0155TS007 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1DHN # Loading PARENT structure: 1dhn (chain: ) # Number of residues in PARENT structure: 121 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 118 # Total number of atoms in model: 118 # Number of atoms with 1.0 occupancy: 118 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 118 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1DHN ATOM 1 CA MET 1 20.356 38.919 92.428 1.00 1.00 ATOM 2 CA ALA 2 21.469 37.506 89.042 1.00 1.00 ATOM 3 CA ASP 3 19.613 39.766 86.574 1.00 1.00 ATOM 4 CA ARG 4 21.685 41.540 83.945 1.00 1.00 ATOM 5 CA ILE 5 21.386 43.911 81.022 1.00 1.00 ATOM 6 CA GLU 6 23.970 43.251 78.280 1.00 1.00 ATOM 7 CA LEU 7 25.487 44.656 75.056 1.00 1.00 ATOM 8 CA ARG 8 27.529 42.112 73.113 1.00 1.00 ATOM 9 CA GLY 9 30.135 42.443 70.390 1.00 1.00 ATOM 10 CA LEU 10 30.006 46.231 69.999 1.00 1.00 ATOM 11 CA THR 11 32.664 47.084 67.427 1.00 1.00 ATOM 12 CA VAL 12 34.384 50.424 67.059 1.00 1.00 ATOM 13 CA HIS 13 37.287 51.513 64.891 1.00 1.00 ATOM 14 CA GLY 14 39.651 53.387 67.167 1.00 1.00 ATOM 15 CA ARG 15 43.264 54.515 67.539 1.00 1.00 ATOM 16 CA HIS 16 44.174 53.317 71.037 1.00 1.00 ATOM 17 CA GLY 17 47.400 51.457 71.711 1.00 1.00 ATOM 18 CA VAL 18 50.801 52.026 73.311 1.00 1.00 ATOM 19 CA TYR 19 52.451 51.848 69.854 1.00 1.00 ATOM 20 CA ASP 20 52.821 54.974 67.648 1.00 1.00 ATOM 21 CA HIS 21 51.958 52.961 64.547 1.00 1.00 ATOM 22 CA GLU 22 48.731 51.711 66.212 1.00 1.00 ATOM 23 CA ARG 23 47.645 55.297 66.961 1.00 1.00 ATOM 24 CA VAL 24 48.302 56.109 63.276 1.00 1.00 ATOM 25 CA ALA 25 46.585 53.109 61.613 1.00 1.00 ATOM 26 CA GLY 26 43.913 52.184 64.170 1.00 1.00 ATOM 27 CA GLN 27 42.095 48.838 64.416 1.00 1.00 ATOM 28 CA ARG 28 38.705 47.415 65.453 1.00 1.00 ATOM 29 CA PHE 29 38.011 47.127 69.205 1.00 1.00 ATOM 30 CA VAL 30 35.313 44.678 70.343 1.00 1.00 ATOM 31 CA ILE 31 33.442 45.527 73.578 1.00 1.00 ATOM 32 CA ASP 32 31.071 43.532 75.819 1.00 1.00 ATOM 33 CA VAL 33 29.285 45.323 78.644 1.00 1.00 ATOM 34 CA THR 34 27.274 43.451 81.292 1.00 1.00 ATOM 35 CA VAL 35 25.305 45.391 83.855 1.00 1.00 ATOM 36 CA TRP 36 24.012 44.003 87.149 1.00 1.00 ATOM 37 CA ILE 37 20.509 45.559 87.390 1.00 1.00 ATOM 38 CA ASP 38 17.422 44.360 89.328 1.00 1.00 ATOM 39 CA LEU 39 14.842 43.903 86.501 1.00 1.00 ATOM 40 CA ALA 40 11.785 42.751 88.506 1.00 1.00 ATOM 41 CA GLU 41 10.143 46.198 88.730 1.00 1.00 ATOM 42 CA ALA 42 10.387 46.626 84.921 1.00 1.00 ATOM 43 CA ALA 43 9.325 43.002 84.520 1.00 1.00 ATOM 44 CA ASN 44 6.166 43.891 86.433 1.00 1.00 ATOM 45 CA SER 45 5.478 47.345 85.013 1.00 1.00 ATOM 46 CA ASP 46 6.694 47.080 81.423 1.00 1.00 ATOM 47 CA ASP 47 7.497 50.799 81.785 1.00 1.00 ATOM 48 CA LEU 48 10.779 51.734 80.116 1.00 1.00 ATOM 49 CA ALA 49 11.485 54.151 82.965 1.00 1.00 ATOM 50 CA ASP 50 12.085 51.307 85.453 1.00 1.00 ATOM 51 CA THR 51 15.157 49.929 83.695 1.00 1.00 ATOM 52 CA TYR 52 18.403 51.075 82.092 1.00 1.00 ATOM 53 CA ASP 53 17.996 51.696 78.328 1.00 1.00 ATOM 54 CA TYR 54 20.615 49.759 76.225 1.00 1.00 ATOM 55 CA VAL 55 20.604 52.453 73.583 1.00 1.00 ATOM 56 CA ARG 56 21.904 55.056 76.046 1.00 1.00 ATOM 57 CA LEU 57 24.586 52.687 77.300 1.00 1.00 ATOM 58 CA ALA 58 25.802 52.000 73.713 1.00 1.00 ATOM 59 CA SER 59 26.056 55.757 73.156 1.00 1.00 ATOM 60 CA ARG 60 28.286 56.066 76.241 1.00 1.00 ATOM 61 CA ALA 61 30.535 53.198 75.221 1.00 1.00 ATOM 62 CA ALA 62 30.774 54.648 71.687 1.00 1.00 ATOM 63 CA GLU 63 31.734 58.175 72.858 1.00 1.00 ATOM 64 CA ILE 64 34.655 56.680 74.821 1.00 1.00 ATOM 65 CA VAL 65 35.713 54.061 72.223 1.00 1.00 ATOM 66 CA ALA 66 35.598 56.468 69.269 1.00 1.00 ATOM 67 CA GLY 67 37.025 59.428 71.215 1.00 1.00 ATOM 68 CA PRO 68 40.595 60.385 72.123 1.00 1.00 ATOM 69 CA PRO 69 43.178 57.618 71.717 1.00 1.00 ATOM 70 CA ARG 70 44.687 56.289 74.939 1.00 1.00 ATOM 71 CA LYS 71 47.395 53.722 75.509 1.00 1.00 ATOM 72 CA LEU 72 45.550 51.000 77.395 1.00 1.00 ATOM 73 CA ILE 73 42.450 48.886 77.112 1.00 1.00 ATOM 74 CA GLU 74 42.515 48.985 80.954 1.00 1.00 ATOM 75 CA THR 75 42.039 52.788 80.876 1.00 1.00 ATOM 76 CA VAL 76 39.279 52.668 78.252 1.00 1.00 ATOM 77 CA GLY 77 37.313 50.047 80.264 1.00 1.00 ATOM 78 CA ALA 78 37.881 52.009 83.512 1.00 1.00 ATOM 79 CA GLU 79 36.416 55.085 81.823 1.00 1.00 ATOM 80 CA ILE 80 33.384 53.109 80.498 1.00 1.00 ATOM 81 CA ALA 81 32.614 51.371 83.818 1.00 1.00 ATOM 82 CA ASP 82 32.985 54.674 85.596 1.00 1.00 ATOM 83 CA HIS 83 30.733 56.413 83.032 1.00 1.00 ATOM 84 CA VAL 84 27.946 53.819 83.352 1.00 1.00 ATOM 85 CA MET 85 28.154 53.586 87.153 1.00 1.00 ATOM 87 CA ASP 86 24.974 57.951 85.367 1.00 1.00 ATOM 88 CA ASP 87 22.801 54.976 86.394 1.00 1.00 ATOM 89 CA GLN 88 22.151 54.371 90.123 1.00 1.00 ATOM 90 CA ARG 89 20.190 51.184 89.306 1.00 1.00 ATOM 91 CA VAL 90 23.387 49.608 87.980 1.00 1.00 ATOM 92 CA HIS 91 24.803 47.749 90.980 1.00 1.00 ATOM 93 CA ALA 92 27.956 46.726 89.080 1.00 1.00 ATOM 94 CA VAL 93 29.505 47.099 85.584 1.00 1.00 ATOM 95 CA GLU 94 31.566 44.502 83.721 1.00 1.00 ATOM 96 CA VAL 95 33.527 45.730 80.719 1.00 1.00 ATOM 97 CA ALA 96 35.397 43.380 78.361 1.00 1.00 ATOM 98 CA VAL 97 37.516 44.866 75.535 1.00 1.00 ATOM 99 CA HIS 98 39.167 42.680 72.867 1.00 1.00 ATOM 100 CA LYS 99 41.748 43.574 70.244 1.00 1.00 ATOM 101 CA PRO 100 41.165 40.851 67.659 1.00 1.00 ATOM 102 CA GLN 101 44.026 42.182 65.525 1.00 1.00 ATOM 103 CA ALA 102 46.754 43.718 67.682 1.00 1.00 ATOM 104 CA PRO 103 50.404 44.160 66.466 1.00 1.00 ATOM 105 CA ILE 104 51.252 40.588 67.609 1.00 1.00 ATOM 106 CA PRO 105 52.964 38.360 64.958 1.00 1.00 ATOM 107 CA GLN 106 50.857 35.242 65.260 1.00 1.00 ATOM 108 CA THR 107 47.600 33.323 64.907 1.00 1.00 ATOM 109 CA PHE 108 44.960 33.855 67.546 1.00 1.00 ATOM 110 CA ASP 109 41.360 34.902 68.014 1.00 1.00 ATOM 111 CA ASP 110 41.950 38.001 70.181 1.00 1.00 ATOM 112 CA VAL 111 43.655 39.479 73.214 1.00 1.00 ATOM 113 CA ALA 112 42.225 41.836 75.794 1.00 1.00 ATOM 114 CA VAL 113 41.084 42.588 79.336 1.00 1.00 ATOM 115 CA VAL 114 37.987 42.393 81.443 1.00 1.00 ATOM 116 CA ILE 115 37.177 44.438 84.522 1.00 1.00 ATOM 117 CA ARG 116 34.335 44.423 87.033 1.00 1.00 ATOM 118 CA ARG 117 33.493 47.622 88.953 1.00 1.00 ATOM 119 CA SER 118 30.796 47.888 91.617 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:17:18 2002 Date: Wed, 7 Aug 2002 02:17:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 01:49:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_620392_18791 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS007_3 Current information on models submitted in prediction T0155TS007 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_3 PIN_620392_18791 6269-7633-6117 08/07/02 01:49:32 casp5@bialko.llnl.gov T0155TS007_4 PIN_559270_18770 6269-7633-6117 08/07/02 01:43:23 casp5@bialko.llnl.gov T0155TS007_1 PIN_557835_18769 6269-7633-6117 08/07/02 01:43:06 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_1 PIN_557835_18769 6269-7633-6117 08/07/02 01:43:06 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov T0155TS007_3 PIN_620392_18791 6269-7633-6117 08/07/02 01:49:32 casp5@bialko.llnl.gov T0155TS007_4 PIN_559270_18770 6269-7633-6117 08/07/02 01:43:23 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1B9L_A # Loading PARENT structure: 1b9l (chain: A) # Number of residues in PARENT structure: 119 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 117 # Total number of atoms in model: 117 # Number of atoms with 1.0 occupancy: 117 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 117 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1B9L_A ATOM 4 CA MET 1 -8.505 38.427 -33.589 1.00 1.00 ATOM 5 CA ALA 2 -8.278 35.998 -30.632 1.00 1.00 ATOM 6 CA ASP 3 -10.225 36.454 -27.397 1.00 1.00 ATOM 7 CA ARG 4 -8.647 34.609 -24.495 1.00 1.00 ATOM 8 CA ILE 5 -10.714 33.264 -21.655 1.00 1.00 ATOM 9 CA GLU 6 -8.944 32.078 -18.550 1.00 1.00 ATOM 10 CA LEU 7 -10.334 29.931 -15.799 1.00 1.00 ATOM 11 CA ARG 8 -7.879 30.584 -12.966 1.00 1.00 ATOM 12 CA GLY 9 -7.102 28.167 -10.147 1.00 1.00 ATOM 13 CA LEU 10 -10.087 25.860 -10.249 1.00 1.00 ATOM 14 CA THR 11 -9.434 23.943 -6.978 1.00 1.00 ATOM 15 CA VAL 12 -10.699 20.372 -6.878 1.00 1.00 ATOM 16 CA HIS 13 -9.936 17.089 -5.112 1.00 1.00 ATOM 17 CA GLY 14 -9.966 13.644 -6.724 1.00 1.00 ATOM 18 CA ARG 15 -8.025 10.365 -6.740 1.00 1.00 ATOM 19 CA HIS 16 -4.789 10.305 -8.758 1.00 1.00 ATOM 20 CA GLY 17 -2.295 7.477 -8.632 1.00 1.00 ATOM 21 CA VAL 18 -2.076 3.755 -8.050 1.00 1.00 ATOM 22 CA TYR 19 -0.303 3.659 -4.714 1.00 1.00 ATOM 23 CA ASP 20 -2.490 2.475 -1.789 1.00 1.00 ATOM 24 CA HIS 21 -2.474 5.957 -0.246 1.00 1.00 ATOM 25 CA GLU 22 -3.179 7.782 -3.508 1.00 1.00 ATOM 26 CA ARG 23 -6.165 5.495 -4.205 1.00 1.00 ATOM 27 CA VAL 24 -7.578 5.588 -0.666 1.00 1.00 ATOM 28 CA ALA 25 -7.343 9.370 -0.285 1.00 1.00 ATOM 29 CA GLY 26 -8.294 12.191 -2.579 1.00 1.00 ATOM 30 CA GLN 27 -5.622 14.756 -3.371 1.00 1.00 ATOM 31 CA ARG 28 -5.611 18.459 -4.004 1.00 1.00 ATOM 32 CA PHE 29 -5.144 19.590 -7.611 1.00 1.00 ATOM 33 CA VAL 30 -5.433 23.069 -9.083 1.00 1.00 ATOM 34 CA ILE 31 -6.630 23.309 -12.661 1.00 1.00 ATOM 35 CA ASP 32 -5.951 26.283 -14.995 1.00 1.00 ATOM 36 CA VAL 33 -7.662 26.564 -18.378 1.00 1.00 ATOM 37 CA THR 34 -6.739 28.845 -21.293 1.00 1.00 ATOM 38 CA VAL 35 -9.181 29.003 -24.243 1.00 1.00 ATOM 39 CA TRP 36 -8.782 31.028 -27.441 1.00 1.00 ATOM 40 CA ILE 37 -11.459 31.862 -29.954 1.00 1.00 ATOM 41 CA ASP 38 -12.223 34.456 -32.719 1.00 1.00 ATOM 42 CA LEU 39 -12.494 37.932 -31.211 1.00 1.00 ATOM 43 CA ALA 40 -15.325 39.022 -33.560 1.00 1.00 ATOM 44 CA GLU 41 -17.760 36.308 -32.463 1.00 1.00 ATOM 45 CA ALA 42 -17.046 37.373 -28.851 1.00 1.00 ATOM 46 CA ALA 43 -18.973 40.665 -29.197 1.00 1.00 ATOM 47 CA ASN 44 -21.920 38.987 -31.052 1.00 1.00 ATOM 48 CA SER 45 -22.455 37.236 -27.671 1.00 1.00 ATOM 49 CA ASP 46 -25.494 39.293 -26.584 1.00 1.00 ATOM 50 CA ASP 47 -26.817 38.457 -30.094 1.00 1.00 ATOM 51 CA LEU 48 -26.431 34.702 -30.795 1.00 1.00 ATOM 52 CA ALA 49 -27.463 31.680 -28.670 1.00 1.00 ATOM 53 CA ASP 50 -24.741 29.036 -29.219 1.00 1.00 ATOM 54 CA THR 51 -22.248 31.169 -27.237 1.00 1.00 ATOM 55 CA TYR 52 -19.130 29.819 -25.492 1.00 1.00 ATOM 56 CA ASP 53 -20.069 29.529 -21.850 1.00 1.00 ATOM 57 CA TYR 54 -17.147 29.353 -19.410 1.00 1.00 ATOM 58 CA VAL 55 -19.720 28.398 -16.768 1.00 1.00 ATOM 59 CA ARG 56 -20.692 25.252 -18.635 1.00 1.00 ATOM 60 CA LEU 57 -17.103 24.367 -19.383 1.00 1.00 ATOM 61 CA ALA 58 -16.266 24.605 -15.681 1.00 1.00 ATOM 62 CA SER 59 -19.436 22.692 -14.713 1.00 1.00 ATOM 63 CA ARG 60 -18.446 19.842 -16.960 1.00 1.00 ATOM 64 CA ALA 61 -14.830 19.844 -15.733 1.00 1.00 ATOM 65 CA ALA 62 -15.920 19.688 -12.086 1.00 1.00 ATOM 66 CA GLU 63 -18.490 16.963 -12.653 1.00 1.00 ATOM 67 CA ILE 64 -16.090 14.813 -14.618 1.00 1.00 ATOM 68 CA VAL 65 -13.119 15.303 -12.266 1.00 1.00 ATOM 69 CA ALA 66 -14.768 14.772 -8.877 1.00 1.00 ATOM 70 CA GLY 67 -16.900 11.834 -10.057 1.00 1.00 ATOM 71 CA PRO 68 -14.006 9.689 -11.240 1.00 1.00 ATOM 72 CA PRO 69 -10.661 8.094 -10.347 1.00 1.00 ATOM 73 CA ARG 70 -7.516 8.638 -12.338 1.00 1.00 ATOM 74 CA LYS 71 -4.497 6.476 -12.892 1.00 1.00 ATOM 75 CA LEU 72 -2.093 9.116 -14.276 1.00 1.00 ATOM 76 CA ILE 73 -1.934 12.945 -14.434 1.00 1.00 ATOM 77 CA GLU 74 -1.691 12.684 -18.192 1.00 1.00 ATOM 78 CA THR 75 -5.118 10.981 -18.546 1.00 1.00 ATOM 79 CA VAL 76 -6.738 13.523 -16.223 1.00 1.00 ATOM 80 CA GLY 77 -5.200 16.513 -18.004 1.00 1.00 ATOM 81 CA ALA 78 -6.219 15.154 -21.458 1.00 1.00 ATOM 82 CA GLU 79 -9.798 14.489 -20.308 1.00 1.00 ATOM 83 CA ILE 80 -10.010 18.047 -19.090 1.00 1.00 ATOM 84 CA ALA 81 -8.336 19.443 -22.252 1.00 1.00 ATOM 85 CA ASP 82 -10.943 17.661 -24.371 1.00 1.00 ATOM 86 CA HIS 83 -13.714 19.101 -22.182 1.00 1.00 ATOM 87 CA VAL 84 -12.151 22.536 -22.667 1.00 1.00 ATOM 88 CA MET 85 -11.958 22.435 -26.502 1.00 1.00 ATOM 89 CA ASP 86 -15.355 20.767 -26.982 1.00 1.00 ATOM 90 CA ASP 87 -17.101 23.841 -28.290 1.00 1.00 ATOM 91 CA GLN 88 -16.745 24.724 -31.983 1.00 1.00 ATOM 92 CA ARG 89 -15.452 28.279 -31.411 1.00 1.00 ATOM 93 CA VAL 90 -12.314 27.145 -29.645 1.00 1.00 ATOM 94 CA HIS 91 -9.194 27.898 -31.743 1.00 1.00 ATOM 95 CA ALA 92 -6.595 26.982 -29.157 1.00 1.00 ATOM 96 CA VAL 93 -6.938 25.347 -25.709 1.00 1.00 ATOM 97 CA GLU 94 -4.328 24.808 -22.938 1.00 1.00 ATOM 98 CA VAL 95 -4.706 23.065 -19.574 1.00 1.00 ATOM 99 CA ALA 96 -2.274 22.978 -16.696 1.00 1.00 ATOM 100 CA VAL 97 -2.948 20.730 -13.649 1.00 1.00 ATOM 101 CA HIS 98 -0.914 21.040 -10.430 1.00 1.00 ATOM 102 CA LYS 99 -0.805 17.949 -8.219 1.00 1.00 ATOM 103 CA PRO 100 -0.092 19.733 -4.947 1.00 1.00 ATOM 104 CA GLN 101 2.742 18.374 -2.827 1.00 1.00 ATOM 105 CA ALA 102 3.276 15.378 -5.056 1.00 1.00 ATOM 106 CA PRO 103 7.039 15.548 -4.518 1.00 1.00 ATOM 107 CA ILE 104 8.313 16.108 -1.060 1.00 1.00 ATOM 108 CA THR 107 10.297 19.355 -0.797 1.00 1.00 ATOM 109 CA PHE 108 8.541 20.878 -3.836 1.00 1.00 ATOM 110 CA ASP 109 5.352 23.027 -3.922 1.00 1.00 ATOM 111 CA ASP 110 3.859 20.883 -6.712 1.00 1.00 ATOM 112 CA VAL 111 4.373 19.159 -10.021 1.00 1.00 ATOM 113 CA ALA 112 2.218 20.031 -13.004 1.00 1.00 ATOM 114 CA VAL 113 1.290 18.677 -16.380 1.00 1.00 ATOM 115 CA VAL 114 0.367 21.028 -19.191 1.00 1.00 ATOM 116 CA ILE 115 -1.140 19.961 -22.542 1.00 1.00 ATOM 117 CA ARG 116 -2.505 22.028 -25.446 1.00 1.00 ATOM 118 CA ARG 117 -4.473 21.726 -28.669 1.00 1.00 ATOM 119 CA SER 118 -4.568 23.650 -31.969 1.00 1.00 ATOM 120 CA ARG 119 -6.945 24.315 -34.885 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:11:19 2002 Date: Wed, 7 Aug 2002 02:11:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 01:43:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_559270_18770 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS007_4 Current information on models submitted in prediction T0155TS007 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_4 PIN_559270_18770 6269-7633-6117 08/07/02 01:43:23 casp5@bialko.llnl.gov T0155TS007_1 PIN_557835_18769 6269-7633-6117 08/07/02 01:43:06 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_1 PIN_557835_18769 6269-7633-6117 08/07/02 01:43:06 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov T0155TS007_4 PIN_559270_18770 6269-7633-6117 08/07/02 01:43:23 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1B9L_B # Loading PARENT structure: 1b9l (chain: B) # Number of residues in PARENT structure: 119 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 114 # Total number of atoms in model: 114 # Number of atoms with 1.0 occupancy: 114 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 114 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1B9L_B ATOM 7 CA ARG 4 6.239 48.747 -22.509 1.00 1.00 ATOM 8 CA ILE 5 4.023 50.427 -19.944 1.00 1.00 ATOM 9 CA GLU 6 2.072 48.196 -17.580 1.00 1.00 ATOM 10 CA LEU 7 -0.718 49.417 -15.345 1.00 1.00 ATOM 11 CA ARG 8 -0.836 46.647 -12.764 1.00 1.00 ATOM 12 CA GLY 9 -3.962 45.532 -10.890 1.00 1.00 ATOM 13 CA LEU 10 -6.291 48.526 -11.198 1.00 1.00 ATOM 14 CA THR 11 -8.982 47.451 -8.778 1.00 1.00 ATOM 15 CA VAL 12 -12.470 48.663 -9.542 1.00 1.00 ATOM 16 CA HIS 13 -16.110 47.807 -8.832 1.00 1.00 ATOM 17 CA GLY 14 -18.984 47.896 -11.333 1.00 1.00 ATOM 18 CA ARG 15 -22.125 46.109 -12.627 1.00 1.00 ATOM 19 CA HIS 16 -21.556 43.191 -14.925 1.00 1.00 ATOM 20 CA GLY 17 -24.173 40.741 -16.054 1.00 1.00 ATOM 21 CA VAL 18 -27.913 40.379 -16.563 1.00 1.00 ATOM 22 CA TYR 19 -28.988 38.321 -13.581 1.00 1.00 ATOM 23 CA ASP 20 -30.944 40.137 -10.866 1.00 1.00 ATOM 24 CA HIS 21 -28.054 39.890 -8.422 1.00 1.00 ATOM 25 CA GLU 22 -25.371 41.013 -10.869 1.00 1.00 ATOM 26 CA ARG 23 -27.310 44.138 -11.818 1.00 1.00 ATOM 27 CA VAL 24 -28.214 45.009 -8.252 1.00 1.00 ATOM 28 CA ALA 25 -24.702 44.716 -6.839 1.00 1.00 ATOM 29 CA GLY 26 -21.357 45.891 -8.098 1.00 1.00 ATOM 30 CA GLN 27 -18.717 43.201 -8.540 1.00 1.00 ATOM 31 CA ARG 28 -14.989 43.189 -8.064 1.00 1.00 ATOM 32 CA PHE 29 -12.856 43.297 -11.180 1.00 1.00 ATOM 33 CA VAL 30 -9.126 43.749 -11.572 1.00 1.00 ATOM 34 CA ILE 31 -7.857 45.439 -14.696 1.00 1.00 ATOM 35 CA ASP 32 -4.394 45.001 -16.142 1.00 1.00 ATOM 36 CA VAL 33 -3.280 47.063 -19.118 1.00 1.00 ATOM 37 CA THR 34 -0.137 46.606 -21.231 1.00 1.00 ATOM 38 CA VAL 35 0.807 49.306 -23.772 1.00 1.00 ATOM 39 CA TRP 36 3.693 49.387 -26.241 1.00 1.00 ATOM 40 CA ILE 37 5.009 52.448 -28.033 1.00 1.00 ATOM 41 CA ASP 38 8.265 53.411 -29.820 1.00 1.00 ATOM 42 CA LEU 39 11.265 53.434 -27.472 1.00 1.00 ATOM 43 CA ALA 40 12.810 56.531 -29.050 1.00 1.00 ATOM 44 CA GLU 41 9.737 58.636 -28.330 1.00 1.00 ATOM 45 CA ALA 42 9.838 57.455 -24.714 1.00 1.00 ATOM 46 CA ALA 43 12.996 59.461 -23.949 1.00 1.00 ATOM 47 CA ASN 44 11.391 62.568 -25.541 1.00 1.00 ATOM 48 CA SER 45 8.300 62.285 -23.323 1.00 1.00 ATOM 49 CA ASP 46 9.398 65.457 -21.462 1.00 1.00 ATOM 50 CA ASP 47 10.152 67.958 -24.291 1.00 1.00 ATOM 51 CA LEU 48 6.800 67.618 -26.123 1.00 1.00 ATOM 52 CA ALA 49 3.350 67.572 -24.486 1.00 1.00 ATOM 53 CA ASP 50 1.217 65.519 -26.858 1.00 1.00 ATOM 54 CA THR 51 2.959 62.707 -24.898 1.00 1.00 ATOM 55 CA TYR 52 1.413 59.386 -23.836 1.00 1.00 ATOM 56 CA ASP 53 0.221 59.885 -20.279 1.00 1.00 ATOM 57 CA TYR 54 -0.536 56.715 -18.339 1.00 1.00 ATOM 58 CA VAL 55 -2.305 58.844 -15.734 1.00 1.00 ATOM 59 CA ARG 56 -4.811 60.034 -18.330 1.00 1.00 ATOM 60 CA LEU 57 -5.351 56.518 -19.692 1.00 1.00 ATOM 61 CA ALA 58 -6.103 55.277 -16.160 1.00 1.00 ATOM 62 CA SER 59 -8.287 58.303 -15.401 1.00 1.00 ATOM 63 CA ARG 60 -10.278 57.596 -18.543 1.00 1.00 ATOM 64 CA ALA 61 -10.483 53.906 -17.803 1.00 1.00 ATOM 65 CA ALA 62 -11.823 54.397 -14.300 1.00 1.00 ATOM 66 CA GLU 63 -14.325 57.113 -15.279 1.00 1.00 ATOM 67 CA ILE 64 -15.831 54.900 -17.929 1.00 1.00 ATOM 68 CA VAL 65 -15.837 51.722 -15.863 1.00 1.00 ATOM 69 CA ALA 66 -17.299 53.049 -12.647 1.00 1.00 ATOM 70 CA GLY 67 -19.984 55.145 -14.288 1.00 1.00 ATOM 71 CA PRO 68 -21.568 52.404 -16.453 1.00 1.00 ATOM 72 CA PRO 69 -23.324 49.014 -16.517 1.00 1.00 ATOM 73 CA ARG 70 -22.052 46.152 -18.587 1.00 1.00 ATOM 74 CA LYS 71 -23.907 43.206 -19.994 1.00 1.00 ATOM 75 CA LEU 72 -20.846 41.235 -21.072 1.00 1.00 ATOM 76 CA ILE 73 -17.176 40.979 -20.090 1.00 1.00 ATOM 77 CA GLU 74 -16.333 41.120 -23.824 1.00 1.00 ATOM 78 CA THR 75 -17.982 44.560 -24.170 1.00 1.00 ATOM 79 CA VAL 76 -16.241 45.845 -21.034 1.00 1.00 ATOM 80 CA GLY 77 -12.844 44.550 -22.152 1.00 1.00 ATOM 81 CA ALA 78 -13.224 45.961 -25.680 1.00 1.00 ATOM 82 CA GLU 79 -14.220 49.315 -24.219 1.00 1.00 ATOM 83 CA ILE 80 -11.106 49.400 -22.082 1.00 1.00 ATOM 84 CA ALA 81 -8.847 48.164 -24.933 1.00 1.00 ATOM 85 CA ASP 82 -10.125 51.042 -27.074 1.00 1.00 ATOM 86 CA HIS 83 -9.457 53.657 -24.346 1.00 1.00 ATOM 87 CA VAL 84 -5.892 52.367 -23.989 1.00 1.00 ATOM 88 CA MET 85 -4.931 52.332 -27.686 1.00 1.00 ATOM 89 CA ASP 86 -6.588 55.729 -28.210 1.00 1.00 ATOM 90 CA ASP 87 -3.309 57.658 -28.341 1.00 1.00 ATOM 91 CA GLN 88 -1.475 57.722 -31.677 1.00 1.00 ATOM 92 CA ARG 89 1.868 56.418 -30.318 1.00 1.00 ATOM 93 CA VAL 90 0.392 53.122 -29.226 1.00 1.00 ATOM 94 CA HIS 91 1.838 50.309 -31.314 1.00 1.00 ATOM 95 CA ALA 92 0.219 47.356 -29.481 1.00 1.00 ATOM 96 CA VAL 93 -2.166 47.234 -26.528 1.00 1.00 ATOM 97 CA GLU 94 -3.366 44.364 -24.350 1.00 1.00 ATOM 98 CA VAL 95 -6.085 44.329 -21.705 1.00 1.00 ATOM 99 CA ALA 96 -6.873 41.553 -19.268 1.00 1.00 ATOM 100 CA VAL 97 -9.914 41.759 -17.014 1.00 1.00 ATOM 101 CA HIS 98 -10.436 39.388 -14.105 1.00 1.00 ATOM 102 CA LYS 99 -14.007 38.929 -12.868 1.00 1.00 ATOM 103 CA PRO 100 -13.244 37.949 -9.234 1.00 1.00 ATOM 104 CA GLN 101 -15.022 34.861 -7.926 1.00 1.00 ATOM 105 CA ALA 102 -17.178 34.435 -10.999 1.00 1.00 ATOM 106 CA PRO 103 -17.012 30.668 -10.990 1.00 1.00 ATOM 107 CA GLN 106 -17.421 28.875 -7.711 1.00 1.00 ATOM 108 CA THR 107 -14.295 26.925 -6.737 1.00 1.00 ATOM 109 CA PHE 108 -11.989 29.142 -8.849 1.00 1.00 ATOM 110 CA ASP 109 -10.113 32.376 -7.992 1.00 1.00 ATOM 111 CA ASP 110 -11.549 34.037 -11.117 1.00 1.00 ATOM 112 CA VAL 111 -12.196 34.035 -14.853 1.00 1.00 ATOM 113 CA ALA 112 -10.536 36.611 -17.093 1.00 1.00 ATOM 114 CA VAL 113 -11.004 37.903 -20.607 1.00 1.00 ATOM 115 CA VAL 114 -7.925 39.189 -22.527 1.00 1.00 ATOM 116 CA ILE 115 -8.076 41.194 -25.821 1.00 1.00 ATOM 117 CA ARG 116 -5.281 42.809 -27.837 1.00 1.00 ATOM 118 CA ARG 117 -4.726 45.214 -30.749 1.00 1.00 ATOM 119 CA SER 118 -1.890 45.735 -33.300 1.00 1.00 ATOM 120 CA ARG 119 -0.483 48.493 -35.550 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:06:28 2002 Date: Wed, 7 Aug 2002 02:06:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 01:38:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_512556_18756 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS007_5 Current information on models submitted in prediction T0155TS007 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS007_2 PIN_511121_18755 6269-7633-6117 08/07/02 01:38:39 casp5@bialko.llnl.gov T0155TS007_5 PIN_512556_18756 6269-7633-6117 08/07/02 01:38:56 casp5@bialko.llnl.gov T0155SS007_1 PIN_126443_12236 6269-7633-6117 07/17/02 08:01:00 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 T0155 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1B9L_C # Loading PARENT structure: 1b9l (chain: C) # Number of residues in PARENT structure: 119 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 114 # Total number of atoms in model: 114 # Number of atoms with 1.0 occupancy: 114 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 114 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1B9L_C ATOM 7 CA ARG 4 5.121 19.730 -20.315 1.00 1.00 ATOM 8 CA ILE 5 6.004 18.568 -16.826 1.00 1.00 ATOM 9 CA GLU 6 6.878 21.239 -14.274 1.00 1.00 ATOM 10 CA LEU 7 8.540 20.687 -10.936 1.00 1.00 ATOM 11 CA ARG 8 7.597 23.777 -8.974 1.00 1.00 ATOM 12 CA GLY 9 9.726 25.283 -6.215 1.00 1.00 ATOM 13 CA LEU 10 11.841 22.367 -5.164 1.00 1.00 ATOM 14 CA THR 11 13.317 23.928 -1.977 1.00 1.00 ATOM 15 CA VAL 12 16.803 22.729 -1.015 1.00 1.00 ATOM 16 CA HIS 13 19.902 23.901 0.907 1.00 1.00 ATOM 17 CA GLY 14 23.531 23.540 -0.245 1.00 1.00 ATOM 18 CA ARG 15 26.938 25.171 -0.470 1.00 1.00 ATOM 19 CA HIS 16 27.322 27.807 -3.193 1.00 1.00 ATOM 20 CA GLY 17 30.188 30.255 -3.374 1.00 1.00 ATOM 21 CA VAL 18 33.878 30.582 -2.570 1.00 1.00 ATOM 22 CA TYR 19 33.763 33.153 0.202 1.00 1.00 ATOM 23 CA ASP 20 34.405 31.907 3.734 1.00 1.00 ATOM 24 CA HIS 21 30.784 32.314 4.794 1.00 1.00 ATOM 25 CA GLU 22 29.234 30.682 1.662 1.00 1.00 ATOM 26 CA ARG 23 31.435 27.600 1.989 1.00 1.00 ATOM 27 CA VAL 24 30.765 27.475 5.762 1.00 1.00 ATOM 28 CA ALA 25 26.975 27.774 5.697 1.00 1.00 ATOM 29 CA GLY 26 24.565 26.109 3.289 1.00 1.00 ATOM 30 CA GLN 27 22.223 28.604 1.632 1.00 1.00 ATOM 31 CA ARG 28 18.662 28.271 0.422 1.00 1.00 ATOM 32 CA PHE 29 18.017 27.791 -3.272 1.00 1.00 ATOM 33 CA VAL 30 14.791 27.125 -5.137 1.00 1.00 ATOM 34 CA ILE 31 14.856 24.984 -8.236 1.00 1.00 ATOM 35 CA ASP 32 12.188 24.956 -10.974 1.00 1.00 ATOM 36 CA VAL 33 12.330 22.390 -13.786 1.00 1.00 ATOM 37 CA THR 34 10.400 22.332 -17.035 1.00 1.00 ATOM 38 CA VAL 35 10.569 19.184 -19.173 1.00 1.00 ATOM 39 CA TRP 36 8.870 18.667 -22.534 1.00 1.00 ATOM 40 CA ILE 37 8.254 15.295 -24.104 1.00 1.00 ATOM 41 CA ASP 38 6.024 13.665 -26.804 1.00 1.00 ATOM 42 CA LEU 39 2.325 13.988 -25.959 1.00 1.00 ATOM 43 CA ALA 40 1.397 10.649 -27.529 1.00 1.00 ATOM 44 CA GLU 41 3.815 8.688 -25.323 1.00 1.00 ATOM 45 CA ALA 42 2.334 10.566 -22.331 1.00 1.00 ATOM 46 CA ALA 43 -0.861 8.518 -22.396 1.00 1.00 ATOM 47 CA ASN 44 1.305 5.347 -21.962 1.00 1.00 ATOM 48 CA SER 45 3.291 5.634 -18.648 1.00 1.00 ATOM 49 CA ASP 46 0.957 3.080 -16.949 1.00 1.00 ATOM 50 CA ASP 47 1.380 0.423 -19.664 1.00 1.00 ATOM 51 CA LEU 48 5.169 0.861 -20.199 1.00 1.00 ATOM 52 CA ALA 49 8.160 0.908 -17.804 1.00 1.00 ATOM 53 CA ASP 50 10.740 2.789 -19.956 1.00 1.00 ATOM 54 CA THR 51 8.681 5.831 -18.831 1.00 1.00 ATOM 55 CA TYR 52 9.679 9.346 -17.743 1.00 1.00 ATOM 56 CA ASP 53 9.453 9.330 -13.953 1.00 1.00 ATOM 57 CA TYR 54 9.363 12.819 -12.474 1.00 1.00 ATOM 58 CA VAL 55 9.963 11.113 -9.153 1.00 1.00 ATOM 59 CA ARG 56 13.283 9.641 -10.262 1.00 1.00 ATOM 60 CA LEU 57 14.338 12.961 -11.762 1.00 1.00 ATOM 61 CA ALA 58 13.667 14.705 -8.445 1.00 1.00 ATOM 62 CA SER 59 15.364 11.987 -6.361 1.00 1.00 ATOM 63 CA ARG 60 18.528 12.315 -8.451 1.00 1.00 ATOM 64 CA ALA 61 18.561 16.113 -8.332 1.00 1.00 ATOM 65 CA ALA 62 18.141 16.245 -4.559 1.00 1.00 ATOM 66 CA GLU 63 20.792 13.575 -4.080 1.00 1.00 ATOM 67 CA ILE 64 23.231 15.398 -6.329 1.00 1.00 ATOM 68 CA VAL 65 22.631 18.878 -4.956 1.00 1.00 ATOM 69 CA ALA 66 22.639 18.194 -1.236 1.00 1.00 ATOM 70 CA GLY 67 25.642 15.878 -1.323 1.00 1.00 ATOM 71 CA PRO 68 27.935 18.277 -3.118 1.00 1.00 ATOM 72 CA PRO 69 29.672 21.651 -2.966 1.00 1.00 ATOM 73 CA ARG 70 29.429 24.242 -5.699 1.00 1.00 ATOM 74 CA LYS 71 31.698 27.097 -6.708 1.00 1.00 ATOM 75 CA LEU 72 29.329 28.686 -9.267 1.00 1.00 ATOM 76 CA ILE 73 25.588 28.926 -9.911 1.00 1.00 ATOM 77 CA GLU 74 26.273 28.122 -13.571 1.00 1.00 ATOM 78 CA THR 75 27.927 24.817 -12.710 1.00 1.00 ATOM 79 CA VAL 76 25.098 23.887 -10.385 1.00 1.00 ATOM 80 CA GLY 77 22.451 24.898 -12.885 1.00 1.00 ATOM 81 CA ALA 78 24.163 22.882 -15.636 1.00 1.00 ATOM 82 CA GLU 79 24.545 19.779 -13.425 1.00 1.00 ATOM 83 CA ILE 80 20.820 19.906 -12.816 1.00 1.00 ATOM 84 CA ALA 81 19.956 20.577 -16.491 1.00 1.00 ATOM 85 CA ASP 82 21.915 17.464 -17.483 1.00 1.00 ATOM 86 CA HIS 83 20.146 15.424 -14.804 1.00 1.00 ATOM 87 CA VAL 84 16.728 16.580 -16.056 1.00 1.00 ATOM 88 CA MET 85 17.337 15.883 -19.767 1.00 1.00 ATOM 89 CA ASP 86 19.010 12.513 -19.131 1.00 1.00 ATOM 90 CA ASP 87 15.950 10.550 -20.155 1.00 1.00 ATOM 91 CA GLN 88 15.800 9.723 -23.842 1.00 1.00 ATOM 92 CA ARG 89 12.224 11.028 -24.174 1.00 1.00 ATOM 93 CA VAL 90 13.161 14.585 -23.225 1.00 1.00 ATOM 94 CA HIS 91 12.820 16.955 -26.144 1.00 1.00 ATOM 95 CA ALA 92 13.299 20.243 -24.282 1.00 1.00 ATOM 96 CA VAL 93 14.436 21.025 -20.742 1.00 1.00 ATOM 97 CA GLU 94 14.887 24.274 -18.808 1.00 1.00 ATOM 98 CA VAL 95 16.139 24.802 -15.280 1.00 1.00 ATOM 99 CA ALA 96 16.031 27.895 -13.155 1.00 1.00 ATOM 100 CA VAL 97 17.805 28.185 -9.801 1.00 1.00 ATOM 101 CA HIS 98 17.224 31.053 -7.394 1.00 1.00 ATOM 102 CA LYS 99 19.951 31.775 -4.888 1.00 1.00 ATOM 103 CA PRO 100 17.725 33.330 -2.229 1.00 1.00 ATOM 104 CA GLN 101 18.878 36.628 -0.748 1.00 1.00 ATOM 105 CA ALA 102 22.174 36.600 -2.657 1.00 1.00 ATOM 106 CA PRO 103 22.119 40.334 -3.295 1.00 1.00 ATOM 107 CA GLN 106 21.262 42.624 -0.418 1.00 1.00 ATOM 108 CA THR 107 18.070 44.555 -1.227 1.00 1.00 ATOM 109 CA PHE 108 16.919 41.946 -3.803 1.00 1.00 ATOM 110 CA ASP 109 14.709 38.902 -3.038 1.00 1.00 ATOM 111 CA ASP 110 17.128 36.804 -5.106 1.00 1.00 ATOM 112 CA VAL 111 19.163 36.276 -8.269 1.00 1.00 ATOM 113 CA ALA 112 18.474 33.283 -10.512 1.00 1.00 ATOM 114 CA VAL 113 20.165 31.425 -13.308 1.00 1.00 ATOM 115 CA VAL 114 18.228 29.766 -16.115 1.00 1.00 ATOM 116 CA ILE 115 19.687 27.334 -18.663 1.00 1.00 ATOM 117 CA ARG 116 17.876 25.253 -21.303 1.00 1.00 ATOM 118 CA ARG 117 18.491 22.385 -23.709 1.00 1.00 ATOM 119 CA SER 118 17.004 21.423 -27.125 1.00 1.00 ATOM 120 CA ARG 119 16.697 18.321 -29.380 1.00 1.00 TER END ################################ # # # END # # # ################################