From mailer@bialko.llnl.gov Wed Aug 7 20:33:29 2002 Date: Wed, 7 Aug 2002 20:33:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 20:06:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_184828_19708 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169SS007_1 Current information on models submitted in prediction T0169SS007 MODEL_INDEX PIN CODE DATE E-mail T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 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: 156 # Number of residues with nonzero confidence: 156 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0169 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-2845.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-12213//target-align-12213.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 192.326 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-2845.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc47.18921/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 Aug 6 09:59:04 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-12213//target-align-12213.a2m METHOD METHOD guide seq name: seed-seqs-2845.a2m(1), 156 bases, A9212C5F checksum. METHOD ###end 0 MODEL 1 M C 0.49 D E 0.449 I E 0.454 R C 0.393 T C 0.456 I C 0.555 T C 0.654 S H 0.579 S H 0.619 D H 0.629 Y H 0.73 E H 0.741 M H 0.746 V H 0.757 T H 0.756 S H 0.75 V H 0.739 L H 0.72 N H 0.7 E H 0.661 W H 0.559 W C 0.468 G C 0.565 G C 0.545 R C 0.576 Q C 0.542 L C 0.524 K C 0.486 E H 0.658 K H 0.688 L H 0.69 P H 0.701 R H 0.708 L H 0.695 F H 0.674 F H 0.629 E H 0.526 H C 0.548 F C 0.626 Q C 0.598 D C 0.53 T E 0.425 S E 0.577 F E 0.635 I E 0.638 T E 0.591 S E 0.524 E C 0.444 H C 0.643 N C 0.643 S E 0.393 M E 0.583 T E 0.602 G E 0.594 F E 0.611 L E 0.63 I E 0.626 G E 0.594 F E 0.539 Q E 0.463 S C 0.491 Q C 0.561 S C 0.595 D C 0.585 P C 0.6 E C 0.555 T C 0.38 A E 0.516 Y E 0.571 I E 0.594 H E 0.582 F E 0.58 S E 0.602 G E 0.606 V E 0.543 H C 0.56 P H 0.505 D H 0.573 F H 0.603 R H 0.529 K H 0.476 M H 0.502 Q H 0.497 I H 0.614 G H 0.675 K H 0.729 Q H 0.752 L H 0.761 Y H 0.783 D H 0.803 V H 0.807 F H 0.807 I H 0.816 E H 0.814 T H 0.805 V H 0.782 K H 0.758 Q H 0.716 R H 0.486 G C 0.667 C C 0.632 T C 0.406 R E 0.608 V E 0.64 K E 0.636 C E 0.622 V E 0.563 T E 0.461 S C 0.527 P C 0.525 V C 0.465 N H 0.503 K H 0.656 V H 0.693 S H 0.713 I H 0.733 A H 0.728 Y H 0.729 H H 0.729 T H 0.715 K H 0.705 L H 0.599 G C 0.669 F C 0.613 D E 0.475 I E 0.474 E E 0.405 K C 0.436 G E 0.398 T E 0.476 K E 0.471 T E 0.46 V E 0.423 N C 0.414 G C 0.468 I C 0.511 S C 0.526 V C 0.46 F C 0.428 A C 0.422 N C 0.487 Y C 0.502 D C 0.58 G C 0.643 P C 0.643 G C 0.592 Q C 0.536 D C 0.478 R E 0.415 V E 0.54 L E 0.567 F E 0.566 V E 0.483 K E 0.402 N C 0.453 I C 0.6 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 10:43:08 2002 Date: Tue, 13 Aug 2002 10:43:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 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 Tue Aug 13 10:15:00 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_280711_22033 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS007_2 Current information on models submitted in prediction T0169TS007 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 casp5@bialko.llnl.gov T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1I21_M # Loading PARENT structure: 1i21 (chain: M) # Number of residues in PARENT structure: 151 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue 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 D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1I21_M ATOM 7 CA MET 1 74.194 36.228 62.152 1.00 1.00 ATOM 8 CA ASP 2 73.125 33.499 64.566 1.00 1.00 ATOM 9 CA ILE 3 69.897 31.975 65.775 1.00 1.00 ATOM 10 CA ARG 4 68.750 31.261 69.319 1.00 1.00 ATOM 11 CA THR 5 65.581 31.140 71.409 1.00 1.00 ATOM 13 CA THR 7 65.047 35.811 75.783 1.00 1.00 ATOM 14 CA SER 8 63.502 38.195 78.286 1.00 1.00 ATOM 15 CA SER 9 65.805 40.986 77.100 1.00 1.00 ATOM 16 CA ASP 10 64.677 40.789 73.474 1.00 1.00 ATOM 17 CA TYR 11 61.377 42.543 74.229 1.00 1.00 ATOM 18 CA GLU 12 62.013 45.981 72.597 1.00 1.00 ATOM 19 CA MET 13 63.690 44.485 69.560 1.00 1.00 ATOM 20 CA VAL 14 61.133 41.735 69.077 1.00 1.00 ATOM 21 CA THR 15 58.248 44.228 69.215 1.00 1.00 ATOM 22 CA SER 16 60.063 46.553 66.844 1.00 1.00 ATOM 23 CA VAL 17 60.450 43.739 64.343 1.00 1.00 ATOM 24 CA LEU 18 56.905 42.412 64.789 1.00 1.00 ATOM 25 CA ASN 19 55.402 45.799 64.066 1.00 1.00 ATOM 26 CA GLU 20 56.082 45.036 60.383 1.00 1.00 ATOM 27 CA TRP 21 53.445 42.334 60.799 1.00 1.00 ATOM 28 CA TRP 22 50.930 44.088 63.009 1.00 1.00 ATOM 29 CA GLY 23 50.091 46.450 65.738 1.00 1.00 ATOM 30 CA GLY 24 51.904 45.149 68.799 1.00 1.00 ATOM 31 CA ARG 25 50.608 47.746 71.191 1.00 1.00 ATOM 32 CA GLN 26 51.500 48.147 74.806 1.00 1.00 ATOM 33 CA LEU 27 53.311 45.251 76.400 1.00 1.00 ATOM 34 CA LYS 28 54.272 45.324 80.035 1.00 1.00 ATOM 35 CA GLU 29 57.823 44.063 80.648 1.00 1.00 ATOM 36 CA LYS 30 56.821 42.033 83.727 1.00 1.00 ATOM 37 CA LEU 31 54.167 40.206 81.671 1.00 1.00 ATOM 38 CA PRO 32 56.515 39.540 78.777 1.00 1.00 ATOM 39 CA ARG 33 59.079 38.135 81.219 1.00 1.00 ATOM 40 CA LEU 34 56.467 35.878 82.780 1.00 1.00 ATOM 41 CA PHE 35 55.478 35.010 79.227 1.00 1.00 ATOM 42 CA PHE 36 59.031 34.058 78.222 1.00 1.00 ATOM 43 CA GLU 37 59.288 31.873 81.332 1.00 1.00 ATOM 44 CA HIS 38 56.123 29.961 80.457 1.00 1.00 ATOM 45 CA PHE 39 57.393 29.340 76.887 1.00 1.00 ATOM 46 CA GLN 40 60.612 28.002 78.442 1.00 1.00 ATOM 47 CA ASP 41 58.856 25.534 80.734 1.00 1.00 ATOM 48 CA THR 42 55.871 24.218 78.736 1.00 1.00 ATOM 49 CA SER 43 56.792 20.778 77.352 1.00 1.00 ATOM 50 CA PHE 44 54.764 18.589 75.033 1.00 1.00 ATOM 51 CA ILE 45 53.977 15.163 76.518 1.00 1.00 ATOM 52 CA THR 46 56.866 13.596 74.597 1.00 1.00 ATOM 53 CA SER 47 58.014 10.503 72.706 1.00 1.00 ATOM 54 CA GLU 48 59.295 9.224 76.049 1.00 1.00 ATOM 57 CA SER 51 63.571 13.588 74.096 1.00 1.00 ATOM 58 CA MET 52 62.349 16.881 75.565 1.00 1.00 ATOM 59 CA THR 53 59.966 18.669 73.174 1.00 1.00 ATOM 61 CA PHE 55 55.765 23.454 72.937 1.00 1.00 ATOM 62 CA LEU 56 56.755 26.982 72.039 1.00 1.00 ATOM 63 CA ILE 57 59.948 27.662 70.058 1.00 1.00 ATOM 85 CA GLY 58 49.891 16.893 69.839 1.00 1.00 ATOM 86 CA PHE 59 46.891 15.494 67.937 1.00 1.00 ATOM 87 CA GLN 60 44.866 12.317 68.215 1.00 1.00 ATOM 88 CA SER 61 44.971 11.633 64.476 1.00 1.00 ATOM 89 CA GLN 62 48.071 10.266 62.845 1.00 1.00 ATOM 90 CA SER 63 48.612 8.033 65.836 1.00 1.00 ATOM 91 CA ASP 64 48.958 10.878 68.327 1.00 1.00 ATOM 92 CA PRO 65 50.982 12.738 65.748 1.00 1.00 ATOM 93 CA GLU 66 52.809 16.002 66.304 1.00 1.00 ATOM 94 CA THR 67 51.754 18.870 64.037 1.00 1.00 ATOM 95 CA ALA 68 53.880 22.017 63.893 1.00 1.00 ATOM 96 CA TYR 69 52.486 25.521 63.579 1.00 1.00 ATOM 97 CA ILE 70 54.765 28.233 62.228 1.00 1.00 ATOM 98 CA HIS 71 53.690 31.670 63.409 1.00 1.00 ATOM 99 CA PHE 72 54.556 35.325 63.708 1.00 1.00 ATOM 100 CA SER 73 57.246 35.347 61.037 1.00 1.00 ATOM 101 CA GLY 74 58.706 38.819 60.735 1.00 1.00 ATOM 102 CA VAL 75 61.867 40.319 59.287 1.00 1.00 ATOM 103 CA HIS 76 63.109 43.628 60.776 1.00 1.00 ATOM 104 CA PRO 77 62.944 46.493 58.272 1.00 1.00 ATOM 105 CA ASP 78 66.614 47.331 58.540 1.00 1.00 ATOM 106 CA PHE 79 67.210 43.736 57.413 1.00 1.00 ATOM 107 CA ARG 80 64.982 42.931 54.416 1.00 1.00 ATOM 108 CA LYS 81 66.131 41.688 51.030 1.00 1.00 ATOM 109 CA MET 82 68.942 39.770 52.766 1.00 1.00 ATOM 110 CA GLN 83 67.182 36.380 52.766 1.00 1.00 ATOM 111 CA ILE 84 66.776 36.099 56.524 1.00 1.00 ATOM 112 CA GLY 85 63.107 35.127 56.178 1.00 1.00 ATOM 113 CA LYS 86 64.177 32.002 54.290 1.00 1.00 ATOM 114 CA GLN 87 66.945 31.077 56.759 1.00 1.00 ATOM 115 CA LEU 88 64.448 31.477 59.503 1.00 1.00 ATOM 116 CA TYR 89 61.706 29.327 57.932 1.00 1.00 ATOM 117 CA ASP 90 64.328 26.679 57.246 1.00 1.00 ATOM 118 CA VAL 91 65.362 26.630 60.920 1.00 1.00 ATOM 119 CA PHE 92 61.777 26.439 62.200 1.00 1.00 ATOM 120 CA ILE 93 61.061 23.584 59.748 1.00 1.00 ATOM 121 CA GLU 94 64.157 21.697 60.960 1.00 1.00 ATOM 122 CA THR 95 63.226 22.063 64.620 1.00 1.00 ATOM 123 CA VAL 96 59.675 20.982 63.858 1.00 1.00 ATOM 124 CA LYS 97 60.758 17.864 62.009 1.00 1.00 ATOM 125 CA GLN 98 63.547 16.898 64.453 1.00 1.00 ATOM 126 CA ARG 99 60.926 16.960 67.194 1.00 1.00 ATOM 127 CA GLY 100 58.970 14.391 65.204 1.00 1.00 ATOM 128 CA CYS 101 56.242 16.374 63.390 1.00 1.00 ATOM 129 CA THR 102 54.603 14.524 60.525 1.00 1.00 ATOM 130 CA ARG 103 53.830 17.963 59.003 1.00 1.00 ATOM 131 CA VAL 104 54.153 21.683 59.671 1.00 1.00 ATOM 132 CA LYS 105 51.662 24.222 58.607 1.00 1.00 ATOM 133 CA CYS 106 51.270 27.964 58.548 1.00 1.00 ATOM 134 CA VAL 107 48.877 30.644 57.315 1.00 1.00 ATOM 135 CA THR 108 50.047 33.394 54.944 1.00 1.00 ATOM 136 CA SER 109 48.608 36.117 52.786 1.00 1.00 ATOM 137 CA PRO 110 48.059 35.383 49.088 1.00 1.00 ATOM 138 CA VAL 111 51.055 37.593 48.281 1.00 1.00 ATOM 139 CA SER 115 53.491 35.494 50.277 1.00 1.00 ATOM 140 CA ILE 116 52.601 32.175 48.638 1.00 1.00 ATOM 141 CA ALA 117 55.429 32.001 46.071 1.00 1.00 ATOM 142 CA TYR 118 57.783 32.859 48.846 1.00 1.00 ATOM 143 CA HIS 119 56.511 29.902 50.819 1.00 1.00 ATOM 144 CA THR 120 56.478 27.530 47.894 1.00 1.00 ATOM 145 CA LYS 121 60.116 28.466 47.412 1.00 1.00 ATOM 146 CA LEU 122 60.709 27.210 51.002 1.00 1.00 ATOM 147 CA GLY 123 59.152 23.837 50.316 1.00 1.00 ATOM 148 CA PHE 124 55.538 24.580 51.270 1.00 1.00 ATOM 149 CA ASP 125 52.473 23.741 49.181 1.00 1.00 ATOM 150 CA ILE 126 48.911 25.023 49.246 1.00 1.00 ATOM 151 CA GLU 127 46.916 23.034 51.747 1.00 1.00 ATOM 152 CA LYS 128 43.753 24.999 52.247 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 10:43:29 2002 Date: Tue, 13 Aug 2002 10:43:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 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 Tue Aug 13 10:15:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_284680_22035 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS007_1 Current information on models submitted in prediction T0169TS007 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 casp5@bialko.llnl.gov T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1I21_B # Loading PARENT structure: 1i21 (chain: B) # Number of residues in PARENT structure: 152 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue 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 D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue S 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 122 # Total number of atoms in model: 122 # Number of atoms with 1.0 occupancy: 122 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 122 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1I21_B ATOM 7 CA MET 1 18.099 41.570 55.941 1.00 1.00 ATOM 8 CA ASP 2 20.857 40.703 53.504 1.00 1.00 ATOM 9 CA ILE 3 23.824 42.551 52.044 1.00 1.00 ATOM 10 CA ARG 4 24.987 42.545 48.419 1.00 1.00 ATOM 11 CA THR 5 26.724 44.719 45.799 1.00 1.00 ATOM 13 CA THR 7 22.880 46.978 41.091 1.00 1.00 ATOM 14 CA SER 8 21.603 49.241 38.279 1.00 1.00 ATOM 15 CA SER 9 18.040 48.687 39.436 1.00 1.00 ATOM 16 CA ASP 10 18.905 50.243 42.816 1.00 1.00 ATOM 17 CA TYR 11 18.849 53.798 41.469 1.00 1.00 ATOM 18 CA GLU 12 15.616 55.167 43.110 1.00 1.00 ATOM 19 CA MET 13 16.080 53.640 46.546 1.00 1.00 ATOM 20 CA VAL 14 19.771 54.413 46.881 1.00 1.00 ATOM 21 CA THR 15 19.413 57.961 45.738 1.00 1.00 ATOM 22 CA SER 16 16.635 58.156 48.246 1.00 1.00 ATOM 23 CA VAL 17 18.619 56.885 51.194 1.00 1.00 ATOM 24 CA LEU 18 21.728 58.855 50.184 1.00 1.00 ATOM 25 CA ASN 19 19.797 62.064 50.405 1.00 1.00 ATOM 26 CA GLU 20 19.966 61.330 54.141 1.00 1.00 ATOM 27 CA TRP 21 23.711 62.050 53.712 1.00 1.00 ATOM 28 CA TRP 22 23.566 65.055 51.363 1.00 1.00 ATOM 29 CA GLY 23 22.618 66.301 47.888 1.00 1.00 ATOM 30 CA GLY 24 22.055 63.531 45.385 1.00 1.00 ATOM 31 CA ARG 25 20.677 65.425 42.402 1.00 1.00 ATOM 32 CA GLN 26 19.326 64.347 39.020 1.00 1.00 ATOM 33 CA LEU 27 20.628 61.010 37.813 1.00 1.00 ATOM 34 CA LYS 28 19.382 59.339 34.664 1.00 1.00 ATOM 35 CA GLU 29 18.992 55.536 34.589 1.00 1.00 ATOM 36 CA LYS 30 21.580 55.517 31.820 1.00 1.00 ATOM 37 CA LEU 31 24.136 57.551 33.688 1.00 1.00 ATOM 38 CA PRO 32 23.642 55.092 36.582 1.00 1.00 ATOM 39 CA ARG 33 24.155 51.892 34.492 1.00 1.00 ATOM 40 CA LEU 34 27.429 53.231 33.140 1.00 1.00 ATOM 41 CA PHE 35 28.391 54.260 36.692 1.00 1.00 ATOM 42 CA PHE 36 27.433 50.754 37.814 1.00 1.00 ATOM 43 CA GLU 37 29.331 49.208 34.895 1.00 1.00 ATOM 44 CA HIS 38 32.427 51.182 35.910 1.00 1.00 ATOM 45 CA PHE 39 32.105 50.086 39.506 1.00 1.00 ATOM 46 CA GLN 40 31.812 46.439 38.497 1.00 1.00 ATOM 47 CA ASP 41 34.732 46.539 36.084 1.00 1.00 ATOM 48 CA THR 42 37.333 48.684 37.851 1.00 1.00 ATOM 49 CA SER 43 39.990 46.413 39.330 1.00 1.00 ATOM 50 CA PHE 44 42.994 46.849 41.555 1.00 1.00 ATOM 51 CA ILE 45 46.208 45.363 40.247 1.00 1.00 ATOM 52 CA THR 46 47.157 42.331 42.208 1.00 1.00 ATOM 53 CA SER 47 49.791 39.851 40.962 1.00 1.00 ATOM 54 CA GLU 48 48.123 36.499 40.974 1.00 1.00 ATOM 56 CA ASN 50 44.391 34.562 42.201 1.00 1.00 ATOM 57 CA SER 51 41.977 36.842 43.959 1.00 1.00 ATOM 58 CA MET 52 40.213 39.675 42.116 1.00 1.00 ATOM 59 CA THR 53 40.257 43.060 43.939 1.00 1.00 ATOM 61 CA PHE 55 38.369 49.239 43.593 1.00 1.00 ATOM 62 CA LEU 56 34.736 50.042 44.406 1.00 1.00 ATOM 63 CA ILE 57 32.656 47.856 46.780 1.00 1.00 ATOM 85 CA GLY 58 47.195 50.559 46.307 1.00 1.00 ATOM 86 CA PHE 59 50.214 52.443 47.625 1.00 1.00 ATOM 87 CA GLN 60 53.923 52.150 47.492 1.00 1.00 ATOM 88 CA SER 61 54.382 52.304 51.274 1.00 1.00 ATOM 89 CA GLN 62 53.854 49.200 53.413 1.00 1.00 ATOM 90 CA SER 63 55.294 47.016 50.642 1.00 1.00 ATOM 91 CA ASP 64 52.909 48.146 47.898 1.00 1.00 ATOM 92 CA PRO 65 50.242 48.066 50.556 1.00 1.00 ATOM 93 CA GLU 66 46.467 48.268 50.222 1.00 1.00 ATOM 94 CA THR 67 44.440 50.925 51.971 1.00 1.00 ATOM 95 CA ALA 68 40.658 50.790 52.255 1.00 1.00 ATOM 96 CA TYR 69 38.640 54.012 52.393 1.00 1.00 ATOM 97 CA ILE 70 35.046 53.749 53.603 1.00 1.00 ATOM 98 CA HIS 71 32.759 56.330 52.030 1.00 1.00 ATOM 99 CA PHE 72 29.132 57.463 51.725 1.00 1.00 ATOM 100 CA SER 73 27.535 55.583 54.588 1.00 1.00 ATOM 101 CA GLY 74 23.809 56.153 54.929 1.00 1.00 ATOM 102 CA VAL 75 21.124 54.308 56.826 1.00 1.00 ATOM 103 CA HIS 76 17.643 54.692 55.331 1.00 1.00 ATOM 104 CA PRO 77 15.275 56.905 57.393 1.00 1.00 ATOM 105 CA ASP 78 12.764 54.197 58.040 1.00 1.00 ATOM 106 CA PHE 79 15.500 51.883 59.259 1.00 1.00 ATOM 107 CA ARG 80 17.348 54.066 61.711 1.00 1.00 ATOM 108 CA LYS 81 18.014 52.715 65.204 1.00 1.00 ATOM 109 CA MET 82 18.042 49.062 64.117 1.00 1.00 ATOM 110 CA GLN 83 21.804 48.560 64.280 1.00 1.00 ATOM 111 CA ILE 84 22.234 48.300 60.526 1.00 1.00 ATOM 112 CA GLY 85 24.822 51.070 60.390 1.00 1.00 ATOM 113 CA LYS 86 27.222 49.094 62.567 1.00 1.00 ATOM 114 CA GLN 87 26.519 45.899 60.644 1.00 1.00 ATOM 115 CA LEU 88 27.241 47.710 57.394 1.00 1.00 ATOM 116 CA TYR 89 30.552 49.055 58.770 1.00 1.00 ATOM 117 CA ASP 90 31.577 45.670 60.060 1.00 1.00 ATOM 118 CA VAL 91 31.045 44.162 56.615 1.00 1.00 ATOM 119 CA PHE 92 33.001 46.836 54.760 1.00 1.00 ATOM 120 CA ILE 93 35.880 46.276 57.167 1.00 1.00 ATOM 121 CA GLU 94 35.702 42.538 56.525 1.00 1.00 ATOM 122 CA THR 95 35.706 43.199 52.806 1.00 1.00 ATOM 123 CA VAL 96 38.760 45.405 53.079 1.00 1.00 ATOM 124 CA LYS 97 40.731 43.149 55.386 1.00 1.00 ATOM 125 CA GLN 98 40.053 40.067 53.283 1.00 1.00 ATOM 126 CA ARG 99 41.549 41.897 50.291 1.00 1.00 ATOM 127 CA GLY 100 44.618 42.538 52.383 1.00 1.00 ATOM 128 CA CYS 101 44.343 46.178 53.518 1.00 1.00 ATOM 129 CA THR 102 46.840 47.009 56.196 1.00 1.00 ATOM 130 CA ARG 103 44.319 49.558 57.299 1.00 1.00 ATOM 131 CA VAL 104 40.933 51.076 56.482 1.00 1.00 ATOM 132 CA LYS 105 40.119 54.686 57.044 1.00 1.00 ATOM 133 CA CYS 106 37.148 56.997 56.926 1.00 1.00 ATOM 134 CA VAL 107 36.256 60.546 57.946 1.00 1.00 ATOM 135 CA THR 108 33.452 61.635 60.213 1.00 1.00 ATOM 136 CA SER 109 32.081 64.353 62.327 1.00 1.00 ATOM 137 CA PRO 110 33.053 64.632 65.968 1.00 1.00 ATOM 138 CA VAL 111 29.419 63.835 66.882 1.00 1.00 ATOM 139 CA SER 115 30.042 60.394 65.365 1.00 1.00 ATOM 140 CA ILE 116 33.461 59.622 66.816 1.00 1.00 ATOM 141 CA ALA 117 31.743 57.530 69.519 1.00 1.00 ATOM 142 CA TYR 118 29.853 55.511 66.943 1.00 1.00 ATOM 143 CA HIS 119 33.039 54.678 64.988 1.00 1.00 ATOM 144 CA THR 120 34.836 53.845 68.207 1.00 1.00 ATOM 145 CA LYS 121 32.093 51.180 68.803 1.00 1.00 ATOM 146 CA LEU 122 32.787 49.812 65.275 1.00 1.00 ATOM 147 CA GLY 123 36.438 49.310 66.319 1.00 1.00 ATOM 148 CA PHE 124 37.978 52.450 64.827 1.00 1.00 ATOM 149 CA ASP 125 40.210 54.816 66.698 1.00 1.00 ATOM 150 CA ILE 126 40.992 58.508 66.230 1.00 1.00 ATOM 151 CA GLU 127 43.795 58.904 63.666 1.00 1.00 ATOM 152 CA LYS 128 43.958 62.487 62.521 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 10:49:18 2002 Date: Tue, 13 Aug 2002 10:49:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 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 Tue Aug 13 10:21:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_343364_22053 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS007_4 Current information on models submitted in prediction T0169TS007 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_4 PIN_343364_22053 6269-7633-6117 08/13/02 10:21:27 casp5@bialko.llnl.gov T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 casp5@bialko.llnl.gov T0169TS007_4 PIN_343364_22053 6269-7633-6117 08/13/02 10:21:27 casp5@bialko.llnl.gov T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1I21_X # Loading PARENT structure: 1i21 (chain: X) # Number of residues in PARENT structure: 146 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue 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 D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue S 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 120 # Total number of atoms in model: 120 # Number of atoms with 1.0 occupancy: 120 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 120 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1I21_X ATOM 7 CA MET 1 11.052 96.491 61.427 1.00 1.00 ATOM 8 CA ASP 2 8.929 93.685 59.826 1.00 1.00 ATOM 9 CA ILE 3 8.489 90.051 61.086 1.00 1.00 ATOM 10 CA ARG 4 9.176 87.022 58.894 1.00 1.00 ATOM 11 CA THR 5 10.136 83.404 59.408 1.00 1.00 ATOM 13 CA THR 7 15.859 81.467 57.001 1.00 1.00 ATOM 14 CA SER 8 19.109 79.686 56.156 1.00 1.00 ATOM 15 CA SER 9 21.047 82.923 55.803 1.00 1.00 ATOM 16 CA ASP 10 20.040 84.276 59.184 1.00 1.00 ATOM 17 CA TYR 11 22.825 82.155 60.774 1.00 1.00 ATOM 18 CA GLU 12 25.246 84.923 61.745 1.00 1.00 ATOM 19 CA MET 13 22.658 87.571 62.532 1.00 1.00 ATOM 20 CA VAL 14 20.639 85.247 64.767 1.00 1.00 ATOM 21 CA THR 15 23.706 83.856 66.555 1.00 1.00 ATOM 22 CA SER 16 24.710 87.333 67.635 1.00 1.00 ATOM 23 CA VAL 17 21.146 87.913 68.831 1.00 1.00 ATOM 24 CA LEU 18 20.853 84.715 70.827 1.00 1.00 ATOM 25 CA ASN 19 24.315 85.214 72.393 1.00 1.00 ATOM 26 CA GLU 20 22.455 87.571 74.717 1.00 1.00 ATOM 27 CA TRP 21 20.282 84.799 76.160 1.00 1.00 ATOM 28 CA TRP 22 22.736 81.898 76.453 1.00 1.00 ATOM 29 CA GLY 23 25.588 80.051 74.798 1.00 1.00 ATOM 30 CA GLY 24 24.929 79.623 71.049 1.00 1.00 ATOM 31 CA ARG 25 28.377 78.345 70.215 1.00 1.00 ATOM 32 CA GLN 26 30.092 77.184 67.106 1.00 1.00 ATOM 33 CA LEU 27 27.533 76.271 64.456 1.00 1.00 ATOM 34 CA LYS 28 28.499 75.416 60.904 1.00 1.00 ATOM 35 CA GLU 29 26.498 76.813 57.908 1.00 1.00 ATOM 36 CA LYS 30 26.152 73.270 56.533 1.00 1.00 ATOM 37 CA LEU 31 24.657 72.204 59.887 1.00 1.00 ATOM 38 CA PRO 32 22.447 75.289 60.228 1.00 1.00 ATOM 39 CA ARG 33 20.846 74.784 56.822 1.00 1.00 ATOM 40 CA LEU 34 19.961 71.227 57.812 1.00 1.00 ATOM 41 CA PHE 35 18.337 72.655 60.970 1.00 1.00 ATOM 42 CA PHE 36 16.308 75.153 58.958 1.00 1.00 ATOM 43 CA GLU 37 15.231 72.383 56.574 1.00 1.00 ATOM 44 CA HIS 38 13.951 70.351 59.583 1.00 1.00 ATOM 45 CA PHE 39 12.194 73.377 61.014 1.00 1.00 ATOM 46 CA GLN 40 10.615 73.869 57.604 1.00 1.00 ATOM 47 CA ASP 41 9.572 70.234 57.182 1.00 1.00 ATOM 48 CA THR 42 8.228 69.204 60.654 1.00 1.00 ATOM 49 CA SER 43 4.499 69.322 60.594 1.00 1.00 ATOM 50 CA PHE 44 1.910 68.700 63.355 1.00 1.00 ATOM 51 CA ILE 45 -0.713 66.096 62.422 1.00 1.00 ATOM 52 CA THR 46 -4.246 67.249 62.536 1.00 1.00 ATOM 53 CA SER 47 -7.774 66.068 61.803 1.00 1.00 ATOM 54 CA GLU 48 -8.837 69.118 59.754 1.00 1.00 ATOM 55 CA HIS 49 -9.439 68.788 56.035 1.00 1.00 ATOM 56 CA ASN 50 -6.783 71.299 55.045 1.00 1.00 ATOM 57 CA SER 51 -4.750 73.098 57.684 1.00 1.00 ATOM 58 CA MET 52 -0.964 73.149 57.851 1.00 1.00 ATOM 59 CA THR 53 0.530 73.430 61.341 1.00 1.00 ATOM 61 CA PHE 55 5.765 72.379 64.800 1.00 1.00 ATOM 62 CA LEU 56 8.531 75.009 64.697 1.00 1.00 ATOM 63 CA ILE 57 7.785 78.710 64.151 1.00 1.00 ATOM 85 CA GLY 58 -0.341 67.635 70.226 1.00 1.00 ATOM 86 CA PHE 59 -1.468 66.092 73.492 1.00 1.00 ATOM 87 CA GLN 60 -4.128 63.526 74.283 1.00 1.00 ATOM 88 CA SER 61 -5.862 65.660 76.910 1.00 1.00 ATOM 89 CA GLN 62 -8.349 68.448 76.023 1.00 1.00 ATOM 90 CA SER 63 -9.648 66.350 73.144 1.00 1.00 ATOM 91 CA ASP 64 -6.289 65.729 71.478 1.00 1.00 ATOM 92 CA PRO 65 -5.524 69.375 71.992 1.00 1.00 ATOM 93 CA GLU 66 -2.803 71.642 70.782 1.00 1.00 ATOM 94 CA THR 67 -0.604 73.423 73.256 1.00 1.00 ATOM 95 CA ALA 68 1.978 76.041 72.228 1.00 1.00 ATOM 96 CA TYR 69 5.414 76.648 73.675 1.00 1.00 ATOM 97 CA ILE 70 7.120 80.026 73.365 1.00 1.00 ATOM 98 CA HIS 71 10.859 79.735 73.545 1.00 1.00 ATOM 99 CA PHE 72 14.218 81.305 72.980 1.00 1.00 ATOM 100 CA SER 73 13.154 84.933 73.106 1.00 1.00 ATOM 101 CA GLY 74 16.112 87.295 72.527 1.00 1.00 ATOM 102 CA VAL 75 16.297 91.027 71.605 1.00 1.00 ATOM 103 CA HIS 76 19.565 92.060 69.841 1.00 1.00 ATOM 107 CA ARG 80 17.604 97.940 72.795 1.00 1.00 ATOM 108 CA LYS 81 14.878 98.252 75.537 1.00 1.00 ATOM 109 CA MET 82 12.460 99.876 73.213 1.00 1.00 ATOM 110 CA GLN 83 9.574 98.556 71.359 1.00 1.00 ATOM 111 CA ILE 84 9.191 95.013 71.332 1.00 1.00 ATOM 112 CA GLY 85 10.134 91.893 72.973 1.00 1.00 ATOM 113 CA LYS 86 6.441 92.535 73.812 1.00 1.00 ATOM 114 CA GLN 87 5.601 92.631 70.109 1.00 1.00 ATOM 115 CA LEU 88 7.555 89.502 69.276 1.00 1.00 ATOM 116 CA TYR 89 5.660 87.729 71.975 1.00 1.00 ATOM 117 CA ASP 90 2.213 88.908 70.921 1.00 1.00 ATOM 118 CA VAL 91 2.818 87.722 67.338 1.00 1.00 ATOM 119 CA PHE 92 4.040 84.267 68.414 1.00 1.00 ATOM 120 CA ILE 93 0.914 84.154 70.572 1.00 1.00 ATOM 121 CA GLU 94 -1.187 84.851 67.432 1.00 1.00 ATOM 122 CA THR 95 0.296 82.102 65.374 1.00 1.00 ATOM 123 CA VAL 96 -0.398 79.612 68.167 1.00 1.00 ATOM 124 CA LYS 97 -3.999 80.562 68.789 1.00 1.00 ATOM 125 CA GLN 98 -4.651 80.667 65.053 1.00 1.00 ATOM 126 CA ARG 99 -3.349 77.079 64.798 1.00 1.00 ATOM 127 CA GLY 100 -5.857 76.029 67.391 1.00 1.00 ATOM 128 CA CYS 101 -3.890 75.952 70.654 1.00 1.00 ATOM 129 CA THR 102 -6.164 75.928 73.646 1.00 1.00 ATOM 130 CA ARG 103 -3.178 77.104 75.685 1.00 1.00 ATOM 131 CA VAL 104 0.285 78.559 75.251 1.00 1.00 ATOM 132 CA LYS 105 3.046 78.433 77.811 1.00 1.00 ATOM 133 CA CYS 106 6.531 79.769 78.455 1.00 1.00 ATOM 134 CA VAL 107 9.060 79.781 81.241 1.00 1.00 ATOM 135 CA THR 108 10.960 82.809 82.592 1.00 1.00 ATOM 136 CA SER 109 13.253 84.258 85.299 1.00 1.00 ATOM 137 CA PRO 110 11.406 85.946 88.206 1.00 1.00 ATOM 138 CA VAL 111 12.776 89.319 87.070 1.00 1.00 ATOM 139 CA SER 115 10.613 89.009 83.935 1.00 1.00 ATOM 140 CA ILE 116 7.319 87.943 85.442 1.00 1.00 ATOM 141 CA ALA 117 6.086 91.577 85.378 1.00 1.00 ATOM 142 CA TYR 118 7.167 91.742 81.771 1.00 1.00 ATOM 143 CA HIS 119 5.043 88.699 80.719 1.00 1.00 ATOM 144 CA THR 120 2.072 89.425 82.911 1.00 1.00 ATOM 145 CA LYS 121 1.977 92.603 80.838 1.00 1.00 ATOM 146 CA LEU 122 1.919 90.566 77.622 1.00 1.00 ATOM 147 CA GLY 123 -1.253 88.878 78.881 1.00 1.00 ATOM 148 CA PHE 124 0.346 85.944 80.694 1.00 1.00 ATOM 149 CA ASP 125 -0.958 84.726 84.036 1.00 1.00 ATOM 150 CA ILE 126 1.081 82.783 86.578 1.00 1.00 ATOM 151 CA GLU 127 0.850 79.037 86.266 1.00 1.00 ATOM 152 CA LYS 128 3.499 77.152 88.171 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 10:51:08 2002 Date: Tue, 13 Aug 2002 10:51:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 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 Tue Aug 13 10:23:04 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_361270_22058 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS007_5 Current information on models submitted in prediction T0169TS007 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_5 PIN_361270_22058 6269-7633-6117 08/13/02 10:23:04 casp5@bialko.llnl.gov T0169TS007_4 PIN_343364_22053 6269-7633-6117 08/13/02 10:21:27 casp5@bialko.llnl.gov T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 casp5@bialko.llnl.gov T0169TS007_4 PIN_343364_22053 6269-7633-6117 08/13/02 10:21:27 casp5@bialko.llnl.gov T0169TS007_5 PIN_361270_22058 6269-7633-6117 08/13/02 10:23:04 casp5@bialko.llnl.gov T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1I21_Y # Loading PARENT structure: 1i21 (chain: Y) # Number of residues in PARENT structure: 152 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue 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 D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue R 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue S 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 123 # Total number of atoms in model: 123 # Number of atoms with 1.0 occupancy: 123 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 123 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1I21_Y ATOM 7 CA MET 1 5.766 46.471 86.555 1.00 1.00 ATOM 8 CA ASP 2 7.328 47.205 83.230 1.00 1.00 ATOM 9 CA ILE 3 7.469 50.274 81.025 1.00 1.00 ATOM 10 CA ARG 4 6.732 50.371 77.281 1.00 1.00 ATOM 11 CA THR 5 5.810 52.866 74.636 1.00 1.00 ATOM 13 CA THR 7 0.124 52.011 71.598 1.00 1.00 ATOM 14 CA SER 8 -3.098 52.258 69.712 1.00 1.00 ATOM 15 CA SER 9 -5.040 49.950 72.048 1.00 1.00 ATOM 16 CA ASP 10 -4.055 51.823 75.193 1.00 1.00 ATOM 17 CA TYR 11 -6.850 54.348 74.538 1.00 1.00 ATOM 18 CA GLU 12 -9.323 53.317 77.233 1.00 1.00 ATOM 19 CA MET 13 -6.591 52.564 79.800 1.00 1.00 ATOM 20 CA VAL 14 -4.754 55.815 79.209 1.00 1.00 ATOM 21 CA THR 15 -7.871 57.969 79.297 1.00 1.00 ATOM 22 CA SER 16 -8.928 56.793 82.683 1.00 1.00 ATOM 23 CA VAL 17 -5.473 57.388 84.128 1.00 1.00 ATOM 24 CA LEU 18 -5.112 60.845 82.533 1.00 1.00 ATOM 25 CA ASN 19 -8.615 61.688 83.866 1.00 1.00 ATOM 26 CA GLU 20 -6.726 62.181 87.142 1.00 1.00 ATOM 27 CA TRP 21 -4.735 65.128 85.771 1.00 1.00 ATOM 28 CA TRP 22 -7.335 67.063 83.726 1.00 1.00 ATOM 29 CA GLY 23 -10.035 66.651 81.262 1.00 1.00 ATOM 30 CA GLY 24 -9.436 64.025 78.606 1.00 1.00 ATOM 31 CA ARG 25 -12.771 64.166 76.962 1.00 1.00 ATOM 32 CA GLN 26 -14.350 62.224 74.201 1.00 1.00 ATOM 33 CA LEU 27 -11.807 60.684 71.893 1.00 1.00 ATOM 34 CA LYS 28 -12.705 58.166 69.248 1.00 1.00 ATOM 35 CA GLU 29 -10.581 55.171 68.464 1.00 1.00 ATOM 36 CA LYS 30 -10.186 56.308 64.833 1.00 1.00 ATOM 37 CA LEU 31 -8.789 59.708 66.036 1.00 1.00 ATOM 38 CA PRO 32 -6.512 58.132 68.631 1.00 1.00 ATOM 39 CA ARG 33 -5.129 55.638 66.073 1.00 1.00 ATOM 40 CA LEU 34 -4.161 58.615 63.929 1.00 1.00 ATOM 41 CA PHE 35 -2.536 60.411 66.896 1.00 1.00 ATOM 42 CA PHE 36 -0.407 57.327 67.743 1.00 1.00 ATOM 43 CA GLU 37 0.515 57.078 64.034 1.00 1.00 ATOM 44 CA HIS 38 1.721 60.652 64.239 1.00 1.00 ATOM 45 CA PHE 39 3.585 60.096 67.473 1.00 1.00 ATOM 46 CA GLN 40 5.266 57.017 66.023 1.00 1.00 ATOM 47 CA ASP 41 6.328 58.718 62.791 1.00 1.00 ATOM 48 CA THR 42 7.513 62.202 63.872 1.00 1.00 ATOM 49 CA SER 43 11.263 62.189 64.189 1.00 1.00 ATOM 50 CA PHE 44 13.758 64.854 65.175 1.00 1.00 ATOM 51 CA ILE 45 16.429 65.531 62.526 1.00 1.00 ATOM 52 CA THR 46 19.946 64.516 63.605 1.00 1.00 ATOM 53 CA SER 47 23.207 63.726 61.876 1.00 1.00 ATOM 54 CA GLU 48 24.146 60.676 63.944 1.00 1.00 ATOM 55 CA HIS 49 25.042 57.752 61.740 1.00 1.00 ATOM 56 CA ASN 50 22.265 55.404 62.902 1.00 1.00 ATOM 57 CA SER 51 20.260 57.132 65.587 1.00 1.00 ATOM 58 CA MET 52 16.541 57.665 65.495 1.00 1.00 ATOM 59 CA THR 53 15.147 60.347 67.751 1.00 1.00 ATOM 61 CA PHE 55 9.793 63.757 68.927 1.00 1.00 ATOM 62 CA LEU 56 7.169 62.145 71.185 1.00 1.00 ATOM 63 CA ILE 57 7.884 59.400 73.709 1.00 1.00 ATOM 85 CA GLY 58 15.754 71.096 68.427 1.00 1.00 ATOM 86 CA PHE 59 16.935 74.585 69.269 1.00 1.00 ATOM 87 CA GLN 60 19.562 76.878 67.713 1.00 1.00 ATOM 88 CA SER 61 21.272 77.652 71.067 1.00 1.00 ATOM 89 CA GLN 62 23.746 75.254 72.642 1.00 1.00 ATOM 90 CA SER 63 25.171 74.300 69.239 1.00 1.00 ATOM 91 CA ASP 64 21.724 73.394 67.760 1.00 1.00 ATOM 92 CA PRO 65 21.035 71.509 70.942 1.00 1.00 ATOM 93 CA GLU 66 18.365 69.117 72.043 1.00 1.00 ATOM 94 CA THR 67 16.112 70.042 74.876 1.00 1.00 ATOM 95 CA ALA 68 13.583 67.650 76.524 1.00 1.00 ATOM 96 CA TYR 69 10.072 68.494 77.770 1.00 1.00 ATOM 97 CA ILE 70 8.404 66.155 80.174 1.00 1.00 ATOM 98 CA HIS 71 4.619 66.445 79.984 1.00 1.00 ATOM 99 CA PHE 72 1.369 64.945 81.221 1.00 1.00 ATOM 100 CA SER 73 2.589 62.786 84.093 1.00 1.00 ATOM 101 CA GLY 74 -0.321 60.856 85.600 1.00 1.00 ATOM 102 CA VAL 75 -0.374 58.001 88.115 1.00 1.00 ATOM 103 CA HIS 76 -3.394 55.751 87.975 1.00 1.00 ATOM 104 CA PRO 77 -5.404 55.937 91.234 1.00 1.00 ATOM 105 CA ASP 78 -5.358 52.234 91.985 1.00 1.00 ATOM 106 CA PHE 79 -1.581 52.730 92.100 1.00 1.00 ATOM 107 CA ARG 80 -1.009 56.010 93.782 1.00 1.00 ATOM 108 CA LYS 81 1.193 56.792 96.632 1.00 1.00 ATOM 109 CA MET 82 3.299 53.698 96.011 1.00 1.00 ATOM 110 CA GLN 83 6.577 54.059 94.140 1.00 1.00 ATOM 111 CA ILE 84 5.824 54.937 90.512 1.00 1.00 ATOM 112 CA GLY 85 5.758 58.644 89.783 1.00 1.00 ATOM 113 CA LYS 86 9.405 59.039 90.630 1.00 1.00 ATOM 114 CA GLN 87 10.204 55.943 88.612 1.00 1.00 ATOM 115 CA LEU 88 8.316 57.262 85.638 1.00 1.00 ATOM 116 CA TYR 89 10.202 60.506 85.893 1.00 1.00 ATOM 117 CA ASP 90 13.625 59.123 85.836 1.00 1.00 ATOM 118 CA VAL 91 12.837 56.682 83.038 1.00 1.00 ATOM 119 CA PHE 92 11.759 59.676 80.860 1.00 1.00 ATOM 120 CA ILE 93 14.859 61.606 81.928 1.00 1.00 ATOM 121 CA GLU 94 16.952 58.626 80.785 1.00 1.00 ATOM 122 CA THR 95 15.261 58.524 77.341 1.00 1.00 ATOM 123 CA VAL 96 15.982 62.246 76.901 1.00 1.00 ATOM 124 CA LYS 97 19.652 62.319 77.961 1.00 1.00 ATOM 125 CA GLN 98 20.214 59.175 75.921 1.00 1.00 ATOM 126 CA ARG 99 18.964 61.108 72.890 1.00 1.00 ATOM 127 CA GLY 100 21.466 63.880 73.566 1.00 1.00 ATOM 128 CA CYS 101 19.399 66.499 75.341 1.00 1.00 ATOM 129 CA THR 102 21.755 68.785 77.227 1.00 1.00 ATOM 130 CA ARG 103 18.747 69.864 79.265 1.00 1.00 ATOM 131 CA VAL 104 15.276 68.548 80.262 1.00 1.00 ATOM 132 CA LYS 105 12.452 70.602 81.676 1.00 1.00 ATOM 133 CA CYS 106 8.914 70.312 83.052 1.00 1.00 ATOM 134 CA VAL 107 6.440 72.566 84.766 1.00 1.00 ATOM 135 CA THR 108 4.575 71.742 87.971 1.00 1.00 ATOM 136 CA SER 109 2.338 73.030 90.718 1.00 1.00 ATOM 137 CA PRO 110 3.879 74.498 93.909 1.00 1.00 ATOM 138 CA VAL 111 2.870 71.548 96.113 1.00 1.00 ATOM 139 CA SER 115 4.939 69.158 93.953 1.00 1.00 ATOM 140 CA ILE 116 8.191 71.061 93.850 1.00 1.00 ATOM 141 CA ALA 117 9.675 69.008 96.708 1.00 1.00 ATOM 142 CA TYR 118 8.549 65.948 94.784 1.00 1.00 ATOM 143 CA HIS 119 10.529 67.017 91.733 1.00 1.00 ATOM 144 CA THR 120 13.421 68.338 93.713 1.00 1.00 ATOM 145 CA LYS 121 13.656 64.724 94.931 1.00 1.00 ATOM 146 CA LEU 122 13.858 63.298 91.389 1.00 1.00 ATOM 147 CA GLY 123 16.894 65.414 90.690 1.00 1.00 ATOM 148 CA PHE 124 15.234 68.587 89.481 1.00 1.00 ATOM 149 CA ASP 125 16.400 72.039 90.414 1.00 1.00 ATOM 150 CA ILE 126 14.261 75.151 90.350 1.00 1.00 ATOM 151 CA GLU 127 14.518 77.176 87.174 1.00 1.00 ATOM 152 CA LYS 128 11.886 79.811 86.753 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 11:01:08 2002 Date: Tue, 13 Aug 2002 11:01:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0169 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 Tue Aug 13 10:33:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_461128_22085 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS007_3 Current information on models submitted in prediction T0169TS007 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_3 PIN_461128_22085 6269-7633-6117 08/13/02 10:33:07 casp5@bialko.llnl.gov T0169TS007_5 PIN_361270_22058 6269-7633-6117 08/13/02 10:23:04 casp5@bialko.llnl.gov T0169TS007_4 PIN_343364_22053 6269-7633-6117 08/13/02 10:21:27 casp5@bialko.llnl.gov T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS007_1 PIN_284680_22035 6269-7633-6117 08/13/02 10:15:39 casp5@bialko.llnl.gov T0169TS007_2 PIN_280711_22033 6269-7633-6117 08/13/02 10:15:00 casp5@bialko.llnl.gov T0169TS007_3 PIN_461128_22085 6269-7633-6117 08/13/02 10:33:07 casp5@bialko.llnl.gov T0169TS007_4 PIN_343364_22053 6269-7633-6117 08/13/02 10:21:27 casp5@bialko.llnl.gov T0169TS007_5 PIN_361270_22058 6269-7633-6117 08/13/02 10:23:04 casp5@bialko.llnl.gov T0169SS007_1 PIN_184828_19708 6269-7633-6117 08/07/02 20:06:06 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 T0169 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1I21_N # Loading PARENT structure: 1i21 (chain: N) # Number of residues in PARENT structure: 143 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue 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 D 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue W 21 # IMPORTANT NOTE! Not complete main chain atoms for residue W 22 # IMPORTANT NOTE! Not complete main chain atoms for residue G 23 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue P 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue F 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 43 # IMPORTANT NOTE! Not complete main chain atoms for residue F 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue S 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue T 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue P 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue T 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue H 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue D 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue M 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue D 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue F 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue C 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue R 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue C 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue A 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue F 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 116 # Total number of atoms in model: 116 # Number of atoms with 1.0 occupancy: 116 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 116 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1I21_N ATOM 7 CA MET 1 22.276 16.350 72.596 1.00 1.00 ATOM 8 CA ASP 2 24.802 17.892 74.965 1.00 1.00 ATOM 9 CA ILE 3 28.369 19.167 74.903 1.00 1.00 ATOM 10 CA ARG 4 31.224 18.237 77.260 1.00 1.00 ATOM 11 CA THR 5 35.045 17.959 77.211 1.00 1.00 ATOM 13 CA THR 7 37.189 12.115 78.520 1.00 1.00 ATOM 14 CA SER 8 39.331 9.066 79.041 1.00 1.00 ATOM 15 CA SER 9 36.537 6.721 77.964 1.00 1.00 ATOM 16 CA ASP 10 36.002 8.411 74.562 1.00 1.00 ATOM 17 CA TYR 11 38.831 6.978 72.482 1.00 1.00 ATOM 18 CA GLU 12 36.907 4.430 70.356 1.00 1.00 ATOM 19 CA MET 13 34.044 6.794 69.580 1.00 1.00 ATOM 20 CA VAL 14 36.242 9.765 68.915 1.00 1.00 ATOM 21 CA THR 15 38.485 7.802 66.556 1.00 1.00 ATOM 22 CA SER 16 35.384 6.523 64.824 1.00 1.00 ATOM 23 CA VAL 17 34.206 10.127 64.410 1.00 1.00 ATOM 24 CA LEU 18 37.594 11.429 63.270 1.00 1.00 ATOM 25 CA ASN 19 38.121 8.771 60.655 1.00 1.00 ATOM 26 CA GLU 20 35.718 10.845 58.584 1.00 1.00 ATOM 27 CA TRP 21 38.576 13.411 58.633 1.00 1.00 ATOM 28 CA TRP 22 41.619 11.092 58.379 1.00 1.00 ATOM 29 CA GLY 23 43.695 8.590 60.491 1.00 1.00 ATOM 34 CA LYS 28 47.336 2.992 72.457 1.00 1.00 ATOM 35 CA GLU 29 44.973 3.283 75.545 1.00 1.00 ATOM 36 CA LYS 30 47.745 4.315 77.927 1.00 1.00 ATOM 37 CA LEU 31 48.956 7.041 75.595 1.00 1.00 ATOM 38 CA PRO 32 45.435 8.381 75.060 1.00 1.00 ATOM 39 CA ARG 33 44.925 8.418 78.781 1.00 1.00 ATOM 40 CA LEU 34 48.187 10.313 79.199 1.00 1.00 ATOM 41 CA PHE 35 47.155 12.641 76.389 1.00 1.00 ATOM 42 CA PHE 36 43.744 13.353 77.958 1.00 1.00 ATOM 43 CA GLU 37 45.530 14.163 81.231 1.00 1.00 ATOM 44 CA HIS 38 47.843 16.675 79.514 1.00 1.00 ATOM 45 CA PHE 39 44.865 18.444 77.856 1.00 1.00 ATOM 46 CA GLN 40 43.161 18.727 81.229 1.00 1.00 ATOM 47 CA ASP 41 46.240 20.122 82.981 1.00 1.00 ATOM 48 CA THR 42 47.923 22.562 80.530 1.00 1.00 ATOM 49 CA SER 43 46.773 26.070 81.303 1.00 1.00 ATOM 50 CA PHE 44 47.644 29.229 79.368 1.00 1.00 ATOM 51 CA ILE 45 49.484 31.854 81.377 1.00 1.00 ATOM 52 CA THR 46 47.800 35.085 82.392 1.00 1.00 ATOM 53 CA SER 47 48.214 37.450 85.359 1.00 1.00 ATOM 54 CA GLU 48 45.858 35.933 87.917 1.00 1.00 ATOM 58 CA MET 52 41.579 30.090 84.353 1.00 1.00 ATOM 59 CA THR 53 42.112 29.330 80.646 1.00 1.00 ATOM 61 CA PHE 55 45.055 25.608 76.468 1.00 1.00 ATOM 62 CA LEU 56 43.366 22.663 74.797 1.00 1.00 ATOM 63 CA ILE 57 39.553 22.367 74.678 1.00 1.00 ATOM 85 CA GLY 58 49.186 33.419 73.614 1.00 1.00 ATOM 86 CA PHE 59 50.994 35.744 71.248 1.00 1.00 ATOM 87 CA GLN 60 53.172 38.763 71.692 1.00 1.00 ATOM 88 CA SER 61 51.264 40.890 69.187 1.00 1.00 ATOM 89 CA GLN 62 47.970 42.480 70.047 1.00 1.00 ATOM 90 CA SER 63 49.232 43.236 73.570 1.00 1.00 ATOM 91 CA ASP 64 50.045 39.658 74.455 1.00 1.00 ATOM 92 CA PRO 65 46.693 38.749 72.859 1.00 1.00 ATOM 93 CA GLU 66 45.042 35.325 72.778 1.00 1.00 ATOM 94 CA THR 67 44.338 33.753 69.436 1.00 1.00 ATOM 95 CA ALA 68 42.140 30.689 69.199 1.00 1.00 ATOM 96 CA TYR 69 42.698 27.780 66.780 1.00 1.00 ATOM 97 CA ILE 70 39.817 25.522 65.851 1.00 1.00 ATOM 98 CA HIS 71 41.210 22.100 64.911 1.00 1.00 ATOM 99 CA PHE 72 39.969 18.596 64.176 1.00 1.00 ATOM 100 CA SER 73 36.331 19.282 63.321 1.00 1.00 ATOM 101 CA GLY 74 34.409 16.051 62.550 1.00 1.00 ATOM 102 CA VAL 75 30.773 14.996 62.437 1.00 1.00 ATOM 103 CA HIS 76 30.032 11.281 62.872 1.00 1.00 ATOM 104 CA PRO 77 28.706 9.672 59.659 1.00 1.00 ATOM 105 CA ASP 78 25.624 8.477 61.476 1.00 1.00 ATOM 106 CA PHE 79 24.810 12.122 62.341 1.00 1.00 ATOM 107 CA ARG 80 25.491 14.289 59.285 1.00 1.00 ATOM 108 CA LYS 81 22.942 16.684 57.878 1.00 1.00 ATOM 109 CA MET 82 21.612 17.330 61.352 1.00 1.00 ATOM 110 CA GLN 83 23.367 20.632 61.846 1.00 1.00 ATOM 111 CA ILE 84 25.712 19.472 64.545 1.00 1.00 ATOM 112 CA GLY 85 28.799 20.817 62.724 1.00 1.00 ATOM 113 CA LYS 86 27.366 24.325 62.973 1.00 1.00 ATOM 114 CA GLN 87 26.352 24.238 66.629 1.00 1.00 ATOM 115 CA LEU 88 29.742 22.750 67.454 1.00 1.00 ATOM 116 CA TYR 89 31.608 25.609 65.696 1.00 1.00 ATOM 117 CA ASP 90 29.318 28.060 67.488 1.00 1.00 ATOM 118 CA VAL 91 30.217 26.394 70.791 1.00 1.00 ATOM 119 CA PHE 92 33.974 26.448 70.141 1.00 1.00 ATOM 120 CA ILE 93 33.771 30.089 69.098 1.00 1.00 ATOM 121 CA GLU 94 31.942 31.138 72.290 1.00 1.00 ATOM 122 CA THR 95 34.542 29.302 74.323 1.00 1.00 ATOM 123 CA VAL 96 37.408 31.050 72.453 1.00 1.00 ATOM 124 CA LYS 97 35.938 34.530 72.962 1.00 1.00 ATOM 125 CA GLN 98 34.860 34.002 76.575 1.00 1.00 ATOM 126 CA ARG 99 38.449 33.160 77.272 1.00 1.00 ATOM 127 CA GLY 100 39.315 36.548 75.740 1.00 1.00 ATOM 128 CA CYS 101 40.581 35.726 72.234 1.00 1.00 ATOM 129 CA THR 102 40.718 38.734 69.919 1.00 1.00 ATOM 130 CA ARG 103 40.223 36.413 66.951 1.00 1.00 ATOM 131 CA VAL 104 39.896 32.710 66.228 1.00 1.00 ATOM 132 CA LYS 105 41.111 30.978 63.131 1.00 1.00 ATOM 133 CA CYS 106 40.944 27.633 61.446 1.00 1.00 ATOM 134 CA VAL 107 41.942 26.067 58.144 1.00 1.00 ATOM 135 CA THR 108 39.523 24.299 55.878 1.00 1.00 ATOM 136 CA SER 109 39.513 23.092 52.404 1.00 1.00 ATOM 137 CA PRO 110 37.920 25.026 49.570 1.00 1.00 ATOM 138 CA VAL 111 34.828 22.824 49.721 1.00 1.00 ATOM 139 CA SER 115 33.938 23.902 53.258 1.00 1.00 ATOM 140 CA ILE 116 34.288 27.663 52.804 1.00 1.00 ATOM 141 CA ALA 117 30.536 28.556 52.313 1.00 1.00 ATOM 142 CA TYR 118 29.908 26.424 55.364 1.00 1.00 ATOM 143 CA HIS 119 32.390 28.349 57.539 1.00 1.00 ATOM 144 CA THR 120 31.170 31.691 56.155 1.00 1.00 ATOM 145 CA LYS 121 27.632 30.704 57.273 1.00 1.00 ATOM 146 CA LEU 122 29.160 30.250 60.778 1.00 1.00 ATOM 147 CA GLY 123 30.506 33.792 60.819 1.00 1.00 ATOM 148 CA PHE 124 33.957 33.311 59.342 1.00 1.00 ATOM 149 CA ASP 125 35.618 35.258 56.537 1.00 1.00 ATOM 150 CA ILE 126 38.364 34.192 54.064 1.00 1.00 ATOM 151 CA GLU 127 41.585 35.579 55.609 1.00 1.00 ATOM 152 CA LYS 128 44.409 33.668 53.974 1.00 1.00 TER END ################################ # # # END # # # ################################