From mailer@bialko.llnl.gov Fri Jul 19 15:51:08 2002 Date: Fri, 19 Jul 2002 15:51:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 19 15:24:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_357896_12769 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156SS007_1 Current information on models submitted in prediction T0156SS007 MODEL_INDEX PIN CODE DATE E-mail T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 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: 157 # Number of residues with nonzero confidence: 157 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0156 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-3766.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-21578//target-align-21578.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 27.3051 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-3766.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc53.28002/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 20:44:00 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-21578//target-align-21578.a2m METHOD METHOD guide seq name: seed-seqs-3766.a2m(1), 157 bases, 2EE71856 checksum. METHOD ###end 0 MODEL 1 M H 0.551 A H 0.548 I H 0.489 S C 0.42 F C 0.455 R C 0.544 P C 0.635 T C 0.418 A H 0.483 D H 0.531 L H 0.552 V H 0.562 D H 0.616 D H 0.613 I H 0.593 G H 0.544 P H 0.524 D H 0.491 V H 0.454 R H 0.405 S C 0.392 C C 0.439 D C 0.473 L C 0.41 Q C 0.372 F C 0.369 R C 0.449 Q C 0.488 F C 0.508 G C 0.568 G C 0.604 R C 0.602 S C 0.497 Q E 0.427 F E 0.532 A E 0.506 G E 0.433 P E 0.443 I E 0.538 S E 0.601 T E 0.64 V E 0.624 R E 0.566 C E 0.452 F C 0.539 Q C 0.639 D C 0.65 N C 0.511 A H 0.496 L H 0.561 L H 0.62 K H 0.642 S H 0.638 V H 0.629 L H 0.616 S H 0.578 Q H 0.495 P C 0.541 S C 0.707 A C 0.706 G C 0.696 G C 0.515 V E 0.728 L E 0.8 V E 0.796 I E 0.716 D E 0.467 G C 0.668 A C 0.693 G C 0.646 S C 0.577 L C 0.457 H C 0.428 T H 0.393 A H 0.426 L H 0.42 V H 0.465 G H 0.44 D H 0.558 V H 0.636 I H 0.667 A H 0.675 E H 0.681 L H 0.679 A H 0.673 R H 0.654 S H 0.632 T H 0.51 G C 0.626 W C 0.578 T E 0.441 G E 0.576 L E 0.662 I E 0.709 V E 0.623 H C 0.429 G C 0.552 A C 0.544 V C 0.441 R C 0.462 D C 0.48 A H 0.651 A H 0.685 A H 0.696 L H 0.699 R H 0.666 G H 0.643 I C 0.448 D C 0.658 I C 0.633 G C 0.593 I E 0.466 K E 0.525 A E 0.444 L C 0.4 G C 0.515 T C 0.52 N C 0.563 P C 0.58 R C 0.564 K C 0.56 S C 0.551 T C 0.53 K C 0.518 T C 0.517 G C 0.524 A C 0.51 G C 0.499 E C 0.438 R C 0.43 D C 0.469 V E 0.449 E E 0.495 I E 0.651 T E 0.639 L E 0.589 G C 0.457 G C 0.556 V E 0.489 T E 0.601 F E 0.583 V C 0.557 P C 0.683 G C 0.68 D C 0.522 I E 0.636 A E 0.706 Y E 0.675 S E 0.548 D C 0.545 D C 0.689 D C 0.695 G C 0.55 I E 0.555 I E 0.733 V E 0.716 V E 0.535 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:57:18 2002 Date: Wed, 7 Aug 2002 02:57:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 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 02:29:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_417871_18923 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS007_2 Current information on models submitted in prediction T0156TS007 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1F7U_A # Loading PARENT structure: 1f7u (chain: A) # Number of residues in PARENT structure: 606 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue R 43 # IMPORTANT NOTE! Not complete main chain atoms for residue C 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 55 # Total number of atoms in model: 55 # Number of atoms with 1.0 occupancy: 55 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 55 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1F7U_A ATOM 105 CA PHE 35 37.488 6.356 48.195 1.00 1.00 ATOM 106 CA ALA 36 36.055 9.863 48.433 1.00 1.00 ATOM 107 CA GLY 37 32.435 10.050 49.468 1.00 1.00 ATOM 108 CA PRO 38 30.209 7.872 47.205 1.00 1.00 ATOM 109 CA THR 41 33.075 7.657 44.685 1.00 1.00 ATOM 110 CA VAL 42 36.241 5.682 44.017 1.00 1.00 ATOM 111 CA ARG 43 39.044 7.619 42.310 1.00 1.00 ATOM 112 CA CYS 44 41.593 5.799 40.162 1.00 1.00 ATOM 113 CA PHE 45 45.015 7.396 39.643 1.00 1.00 ATOM 114 CA GLN 46 46.987 5.955 36.732 1.00 1.00 ATOM 115 CA ASP 47 50.687 5.222 37.259 1.00 1.00 ATOM 116 CA ASN 48 52.411 7.996 35.239 1.00 1.00 ATOM 117 CA ALA 49 55.581 5.966 34.769 1.00 1.00 ATOM 118 CA LEU 50 53.467 3.199 33.270 1.00 1.00 ATOM 119 CA LEU 51 51.728 5.775 31.068 1.00 1.00 ATOM 120 CA LYS 52 55.007 7.302 29.921 1.00 1.00 ATOM 121 CA SER 53 56.413 3.956 28.793 1.00 1.00 ATOM 122 CA VAL 54 53.434 3.323 26.503 1.00 1.00 ATOM 123 CA LEU 55 52.083 6.748 25.615 1.00 1.00 ATOM 124 CA SER 56 55.284 8.633 24.798 1.00 1.00 ATOM 125 CA GLN 57 56.713 6.062 22.387 1.00 1.00 ATOM 139 CA PRO 58 36.725 1.925 10.504 1.00 1.00 ATOM 140 CA SER 59 36.103 -1.758 9.805 1.00 1.00 ATOM 141 CA ALA 60 33.774 -0.695 7.004 1.00 1.00 ATOM 142 CA GLY 61 33.994 2.484 4.947 1.00 1.00 ATOM 143 CA GLY 62 31.656 5.222 6.158 1.00 1.00 ATOM 144 CA VAL 63 31.095 8.326 4.043 1.00 1.00 ATOM 145 CA LEU 64 29.955 11.698 5.352 1.00 1.00 ATOM 146 CA VAL 65 29.133 14.840 3.429 1.00 1.00 ATOM 147 CA ILE 66 29.832 17.993 5.393 1.00 1.00 ATOM 148 CA ASP 67 28.387 21.159 3.868 1.00 1.00 ATOM 159 CA GLY 68 32.319 39.512 6.888 1.00 1.00 ATOM 160 CA ALA 69 33.311 38.463 10.414 1.00 1.00 ATOM 161 CA GLY 70 30.180 36.315 10.464 1.00 1.00 ATOM 162 CA SER 71 31.109 34.064 7.524 1.00 1.00 ATOM 163 CA LEU 72 34.114 32.833 9.471 1.00 1.00 ATOM 164 CA HIS 73 31.938 30.619 11.722 1.00 1.00 ATOM 165 CA THR 74 30.441 28.037 9.356 1.00 1.00 ATOM 166 CA ALA 75 33.765 27.963 7.521 1.00 1.00 ATOM 167 CA LEU 76 36.043 26.957 10.399 1.00 1.00 ATOM 168 CA VAL 77 33.502 24.790 12.234 1.00 1.00 ATOM 169 CA GLY 78 32.965 22.752 9.068 1.00 1.00 ATOM 170 CA ASP 79 36.689 22.615 8.393 1.00 1.00 ATOM 171 CA VAL 80 37.277 21.351 11.929 1.00 1.00 ATOM 172 CA ILE 81 34.544 18.715 11.655 1.00 1.00 ATOM 173 CA ALA 82 35.925 17.568 8.299 1.00 1.00 ATOM 174 CA GLU 83 39.365 17.095 9.817 1.00 1.00 ATOM 175 CA LEU 84 37.872 15.352 12.859 1.00 1.00 ATOM 176 CA ALA 85 35.823 12.831 10.885 1.00 1.00 ATOM 177 CA ARG 86 38.762 11.964 8.623 1.00 1.00 ATOM 178 CA SER 87 40.982 11.560 11.679 1.00 1.00 ATOM 179 CA THR 88 38.480 9.068 13.073 1.00 1.00 ATOM 180 CA GLY 89 38.144 6.884 9.966 1.00 1.00 ATOM 181 CA TRP 90 35.417 8.448 7.809 1.00 1.00 ATOM 182 CA THR 91 35.600 9.291 4.119 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:59:08 2002 Date: Wed, 7 Aug 2002 02:59:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 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 02:31:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_435140_18927 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS007_3 Current information on models submitted in prediction T0156TS007 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_3 PIN_435140_18927 6269-7633-6117 08/07/02 02:31:23 casp5@bialko.llnl.gov T0156TS007_5 PIN_425572_18925 6269-7633-6117 08/07/02 02:30:26 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_3 PIN_435140_18927 6269-7633-6117 08/07/02 02:31:23 casp5@bialko.llnl.gov T0156TS007_5 PIN_425572_18925 6269-7633-6117 08/07/02 02:30:26 casp5@bialko.llnl.gov T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1GYL_A # Loading PARENT structure: 1gyl (chain: A) # Number of residues in PARENT structure: 352 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue R 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue R 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1GYL_A ATOM 208 CA HIS 73 37.805 17.371 27.968 1.00 1.00 ATOM 209 CA THR 74 36.054 14.065 28.794 1.00 1.00 ATOM 210 CA ALA 75 36.853 14.639 32.493 1.00 1.00 ATOM 211 CA LEU 76 34.804 17.778 33.169 1.00 1.00 ATOM 212 CA VAL 77 33.953 17.875 36.874 1.00 1.00 ATOM 213 CA GLY 78 32.495 19.782 39.880 1.00 1.00 ATOM 214 CA ASP 79 36.192 20.795 40.498 1.00 1.00 ATOM 215 CA VAL 80 36.402 22.386 37.065 1.00 1.00 ATOM 216 CA ILE 81 32.963 23.722 37.909 1.00 1.00 ATOM 217 CA ALA 82 34.950 25.289 40.707 1.00 1.00 ATOM 218 CA GLU 83 37.489 26.979 38.434 1.00 1.00 ATOM 219 CA LEU 84 34.929 28.320 35.945 1.00 1.00 ATOM 220 CA ALA 85 33.530 30.343 38.845 1.00 1.00 ATOM 221 CA ARG 86 36.756 32.283 39.538 1.00 1.00 ATOM 222 CA SER 87 36.850 33.118 35.837 1.00 1.00 ATOM 223 CA THR 88 33.436 34.632 35.734 1.00 1.00 ATOM 224 CA GLY 89 29.987 35.004 37.214 1.00 1.00 ATOM 225 CA THR 91 27.533 35.006 34.305 1.00 1.00 ATOM 226 CA GLY 92 25.174 32.568 36.153 1.00 1.00 ATOM 227 CA LEU 93 26.617 29.069 35.393 1.00 1.00 ATOM 228 CA ILE 94 23.680 26.719 34.540 1.00 1.00 ATOM 229 CA VAL 95 23.690 22.916 34.714 1.00 1.00 ATOM 230 CA HIS 96 22.822 21.586 31.238 1.00 1.00 ATOM 231 CA GLY 97 22.232 17.822 31.162 1.00 1.00 ATOM 232 CA ALA 98 20.454 16.449 34.254 1.00 1.00 ATOM 233 CA VAL 99 17.592 13.884 34.650 1.00 1.00 ATOM 234 CA ARG 100 18.191 12.923 38.310 1.00 1.00 ATOM 235 CA ASP 101 18.259 14.471 41.812 1.00 1.00 ATOM 236 CA ALA 102 21.712 13.146 42.736 1.00 1.00 ATOM 237 CA ALA 103 23.358 15.832 40.596 1.00 1.00 ATOM 238 CA ALA 104 20.535 18.298 41.458 1.00 1.00 ATOM 239 CA LEU 105 21.092 18.786 45.216 1.00 1.00 ATOM 240 CA ARG 106 24.731 18.411 44.105 1.00 1.00 ATOM 241 CA GLY 107 24.004 21.515 41.944 1.00 1.00 ATOM 242 CA ILE 108 23.055 23.745 44.837 1.00 1.00 ATOM 243 CA ASP 109 25.796 22.126 46.911 1.00 1.00 ATOM 244 CA ILE 110 28.147 23.729 44.321 1.00 1.00 ATOM 245 CA GLY 111 27.057 27.369 43.941 1.00 1.00 ATOM 246 CA ILE 112 24.823 28.222 40.987 1.00 1.00 ATOM 247 CA LYS 113 21.279 29.083 39.882 1.00 1.00 ATOM 248 CA ALA 114 19.151 27.810 37.052 1.00 1.00 ATOM 249 CA LEU 115 19.311 24.272 35.710 1.00 1.00 ATOM 250 CA GLY 116 18.852 23.196 32.130 1.00 1.00 ATOM 251 CA THR 117 17.467 19.677 32.726 1.00 1.00 ATOM 252 CA ASN 118 17.994 17.752 29.511 1.00 1.00 ATOM 253 CA PRO 119 18.661 14.699 27.383 1.00 1.00 ATOM 254 CA ARG 120 20.466 16.720 24.628 1.00 1.00 ATOM 255 CA LYS 121 17.515 16.625 22.158 1.00 1.00 ATOM 256 CA SER 122 17.766 12.881 22.999 1.00 1.00 ATOM 257 CA THR 123 21.090 13.107 21.068 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:58:18 2002 Date: Wed, 7 Aug 2002 02:58:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0156 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 02:30:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_425572_18925 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS007_5 Current information on models submitted in prediction T0156TS007 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_5 PIN_425572_18925 6269-7633-6117 08/07/02 02:30:26 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_5 PIN_425572_18925 6269-7633-6117 08/07/02 02:30:26 casp5@bialko.llnl.gov T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1LNR_I # Loading PARENT structure: 1lnr (chain: I) # Number of residues in PARENT structure: 132 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue N 48 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 52 # Total number of atoms in model: 52 # Number of atoms with 1.0 occupancy: 52 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 52 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1LNR_I ATOM 18 CA ASN 48 84.481 112.277 155.570 1.00 1.00 ATOM 19 CA ALA 49 84.863 108.848 153.988 1.00 1.00 ATOM 20 CA LEU 50 81.900 108.414 151.641 1.00 1.00 ATOM 21 CA LEU 51 81.470 105.528 149.189 1.00 1.00 ATOM 22 CA LYS 52 80.517 104.544 145.641 1.00 1.00 ATOM 23 CA SER 53 78.924 101.517 143.968 1.00 1.00 ATOM 24 CA VAL 54 77.762 99.159 146.717 1.00 1.00 ATOM 25 CA LEU 55 79.707 95.940 146.148 1.00 1.00 ATOM 26 CA SER 56 79.622 92.569 147.908 1.00 1.00 ATOM 27 CA GLN 57 83.138 91.334 147.144 1.00 1.00 ATOM 28 CA PRO 58 84.550 90.545 150.572 1.00 1.00 ATOM 29 CA SER 59 85.543 86.924 151.133 1.00 1.00 ATOM 30 CA ALA 60 88.599 85.304 152.681 1.00 1.00 ATOM 31 CA GLY 61 91.642 84.492 150.585 1.00 1.00 ATOM 32 CA GLY 62 93.049 86.590 147.746 1.00 1.00 ATOM 33 CA VAL 63 92.746 90.299 148.469 1.00 1.00 ATOM 34 CA LEU 64 89.829 91.897 146.632 1.00 1.00 ATOM 35 CA VAL 65 87.780 89.101 145.065 1.00 1.00 ATOM 36 CA ILE 66 87.075 91.505 142.200 1.00 1.00 ATOM 37 CA ASP 67 83.836 89.663 141.503 1.00 1.00 ATOM 38 CA GLY 68 80.425 88.617 142.759 1.00 1.00 ATOM 39 CA ALA 69 77.909 90.761 140.919 1.00 1.00 ATOM 40 CA GLY 70 76.494 94.269 140.853 1.00 1.00 ATOM 41 CA SER 71 73.023 95.814 140.768 1.00 1.00 ATOM 42 CA LEU 72 73.397 95.963 144.552 1.00 1.00 ATOM 43 CA HIS 73 72.517 99.043 146.603 1.00 1.00 ATOM 44 CA THR 74 72.037 97.942 150.212 1.00 1.00 ATOM 45 CA ALA 75 75.252 96.493 151.638 1.00 1.00 ATOM 46 CA LEU 76 75.128 95.532 155.316 1.00 1.00 ATOM 47 CA VAL 77 78.109 95.037 157.627 1.00 1.00 ATOM 48 CA GLY 78 80.563 92.745 155.871 1.00 1.00 ATOM 49 CA ASP 79 80.583 93.860 152.243 1.00 1.00 ATOM 50 CA VAL 80 83.368 96.032 150.832 1.00 1.00 ATOM 51 CA ILE 81 82.349 99.463 149.545 1.00 1.00 ATOM 52 CA ALA 82 84.836 101.729 147.771 1.00 1.00 ATOM 53 CA GLU 83 84.905 104.743 150.089 1.00 1.00 ATOM 54 CA LEU 84 86.140 108.215 149.149 1.00 1.00 ATOM 55 CA ALA 85 87.330 111.069 151.363 1.00 1.00 ATOM 56 CA ARG 86 85.773 114.498 150.835 1.00 1.00 ATOM 57 CA SER 87 86.893 117.165 153.303 1.00 1.00 ATOM 58 CA THR 88 90.583 116.757 154.129 1.00 1.00 ATOM 59 CA GLY 89 91.945 117.340 157.632 1.00 1.00 ATOM 60 CA TRP 90 95.035 118.865 159.243 1.00 1.00 ATOM 61 CA THR 91 97.733 116.232 158.720 1.00 1.00 ATOM 62 CA GLY 92 97.082 112.587 159.538 1.00 1.00 ATOM 63 CA LEU 93 99.560 110.225 157.886 1.00 1.00 ATOM 64 CA ILE 94 98.812 112.254 154.749 1.00 1.00 ATOM 65 CA VAL 95 95.777 111.058 152.790 1.00 1.00 ATOM 66 CA HIS 96 94.236 112.923 149.854 1.00 1.00 ATOM 67 CA GLY 97 90.617 112.547 148.788 1.00 1.00 ATOM 68 CA ALA 98 90.831 109.690 146.297 1.00 1.00 ATOM 69 CA VAL 99 89.349 106.225 145.775 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 03:12:07 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g77AC7ki006829 for ; Wed, 7 Aug 2002 03:12:07 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id DAA8051450 for karplus@soe.ucsc.edu; Wed, 7 Aug 2002 03:12:01 -0700 (PDT) Date: Wed, 7 Aug 2002 03:12:01 -0700 (PDT) From: Automatic Reply Message-Id: <200208071012.DAA8051450@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0156 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 02:44:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_570279_18967 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS007_4 Current information on models submitted in prediction T0156TS007 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_4 PIN_570279_18967 6269-7633-6117 08/07/02 02:44:09 casp5@bialko.llnl.gov T0156TS007_3 PIN_435140_18927 6269-7633-6117 08/07/02 02:31:23 casp5@bialko.llnl.gov T0156TS007_5 PIN_425572_18925 6269-7633-6117 08/07/02 02:30:26 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 casp5@bialko.llnl.gov T0156TS007_2 PIN_417871_18923 6269-7633-6117 08/07/02 02:29:47 casp5@bialko.llnl.gov T0156TS007_3 PIN_435140_18927 6269-7633-6117 08/07/02 02:31:23 casp5@bialko.llnl.gov T0156TS007_4 PIN_570279_18967 6269-7633-6117 08/07/02 02:44:09 casp5@bialko.llnl.gov T0156TS007_5 PIN_425572_18925 6269-7633-6117 08/07/02 02:30:26 casp5@bialko.llnl.gov T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 2TPS_A # Loading PARENT structure: 2tps (chain: A) # Number of residues in PARENT structure: 226 # 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 A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue S 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # IMPORTANT NOTE! Not complete main chain atoms for residue P 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue D 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue D 18 # IMPORTANT NOTE! Not complete main chain atoms for residue V 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue C 22 # IMPORTANT NOTE! Not complete main chain atoms for residue D 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 25 # IMPORTANT NOTE! Not complete main chain atoms for residue F 26 # IMPORTANT NOTE! Not complete main chain atoms for residue R 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue R 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue R 43 # IMPORTANT NOTE! Not complete main chain atoms for residue C 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue R 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue R 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue T 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue P 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue S 149 # IMPORTANT NOTE! Not complete main chain atoms for residue D 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue D 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue V 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 147 # Total number of atoms in model: 147 # Number of atoms with 1.0 occupancy: 147 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 147 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 2TPS_A ATOM 24 CA MET 1 20.926 26.401 13.812 1.00 1.00 ATOM 25 CA ALA 2 22.304 29.506 15.524 1.00 1.00 ATOM 26 CA ILE 3 18.954 31.294 15.373 1.00 1.00 ATOM 27 CA SER 4 17.161 28.671 17.538 1.00 1.00 ATOM 28 CA PHE 5 17.283 30.611 20.862 1.00 1.00 ATOM 29 CA ARG 6 18.564 34.110 20.125 1.00 1.00 ATOM 30 CA PRO 7 18.918 36.165 23.315 1.00 1.00 ATOM 31 CA THR 8 19.215 39.960 23.004 1.00 1.00 ATOM 32 CA ALA 9 20.104 42.181 26.012 1.00 1.00 ATOM 33 CA LEU 11 21.441 45.471 27.343 1.00 1.00 ATOM 34 CA VAL 12 21.996 46.772 30.877 1.00 1.00 ATOM 35 CA ASP 13 18.673 48.573 31.007 1.00 1.00 ATOM 36 CA ASP 14 16.695 45.367 30.290 1.00 1.00 ATOM 37 CA ILE 15 17.211 43.702 33.711 1.00 1.00 ATOM 38 CA GLY 16 17.250 44.621 37.369 1.00 1.00 ATOM 39 CA PRO 17 20.007 42.007 38.011 1.00 1.00 ATOM 40 CA ASP 18 23.733 42.246 37.180 1.00 1.00 ATOM 41 CA VAL 19 23.805 42.400 33.330 1.00 1.00 ATOM 42 CA ARG 20 26.849 40.175 32.657 1.00 1.00 ATOM 43 CA SER 21 25.534 37.614 35.181 1.00 1.00 ATOM 44 CA CYS 22 22.217 37.422 33.286 1.00 1.00 ATOM 45 CA ASP 23 24.045 36.841 29.986 1.00 1.00 ATOM 46 CA LEU 24 26.134 34.083 31.616 1.00 1.00 ATOM 47 CA GLN 25 23.044 32.356 32.963 1.00 1.00 ATOM 48 CA PHE 26 21.197 32.533 29.605 1.00 1.00 ATOM 49 CA ARG 27 24.231 30.993 27.838 1.00 1.00 ATOM 50 CA GLN 28 24.499 28.229 30.466 1.00 1.00 ATOM 51 CA PHE 29 20.809 27.361 30.042 1.00 1.00 ATOM 52 CA GLY 30 21.087 27.095 26.266 1.00 1.00 ATOM 53 CA GLY 31 20.891 30.303 24.235 1.00 1.00 ATOM 54 CA ARG 32 22.457 29.627 20.805 1.00 1.00 ATOM 55 CA SER 33 23.279 33.252 19.791 1.00 1.00 ATOM 56 CA GLN 34 23.615 36.543 21.732 1.00 1.00 ATOM 57 CA PHE 35 23.120 40.154 20.635 1.00 1.00 ATOM 58 CA ALA 36 24.655 43.076 22.556 1.00 1.00 ATOM 59 CA GLY 37 22.024 45.843 22.360 1.00 1.00 ATOM 60 CA PRO 38 22.873 48.870 24.554 1.00 1.00 ATOM 72 CA ILE 39 32.702 49.301 25.617 1.00 1.00 ATOM 73 CA SER 40 33.965 47.554 28.743 1.00 1.00 ATOM 74 CA THR 41 30.531 45.971 29.244 1.00 1.00 ATOM 75 CA VAL 42 30.556 44.738 25.623 1.00 1.00 ATOM 76 CA ARG 43 34.016 43.146 26.164 1.00 1.00 ATOM 77 CA CYS 44 32.700 41.237 29.249 1.00 1.00 ATOM 78 CA PHE 45 29.606 40.034 27.394 1.00 1.00 ATOM 79 CA GLN 46 31.826 38.912 24.468 1.00 1.00 ATOM 80 CA ASP 47 34.082 36.991 26.860 1.00 1.00 ATOM 81 CA ASN 48 30.982 35.261 28.331 1.00 1.00 ATOM 82 CA ALA 49 29.997 34.178 24.795 1.00 1.00 ATOM 83 CA LEU 50 33.523 32.851 24.073 1.00 1.00 ATOM 95 CA LEU 51 29.421 48.872 12.949 1.00 1.00 ATOM 96 CA LYS 52 32.551 50.447 14.409 1.00 1.00 ATOM 97 CA SER 53 32.124 48.554 17.723 1.00 1.00 ATOM 98 CA VAL 54 31.623 45.277 15.879 1.00 1.00 ATOM 99 CA LEU 55 34.829 45.791 13.913 1.00 1.00 ATOM 100 CA SER 56 36.847 46.985 16.961 1.00 1.00 ATOM 101 CA GLN 57 35.835 44.004 19.128 1.00 1.00 ATOM 102 CA PRO 58 36.096 41.444 16.285 1.00 1.00 ATOM 103 CA ALA 60 32.482 40.497 16.881 1.00 1.00 ATOM 104 CA GLY 61 30.972 37.574 15.033 1.00 1.00 ATOM 105 CA GLY 62 28.369 39.846 13.392 1.00 1.00 ATOM 106 CA VAL 63 26.148 42.882 13.263 1.00 1.00 ATOM 107 CA LEU 64 22.362 43.418 13.356 1.00 1.00 ATOM 108 CA ILE 66 20.789 46.442 11.680 1.00 1.00 ATOM 109 CA ASP 67 17.319 47.823 10.985 1.00 1.00 ATOM 110 CA GLY 68 15.555 49.909 8.361 1.00 1.00 ATOM 111 CA ALA 69 16.685 53.239 9.906 1.00 1.00 ATOM 112 CA GLY 70 20.273 52.185 10.426 1.00 1.00 ATOM 113 CA SER 71 23.177 52.191 7.948 1.00 1.00 ATOM 114 CA LEU 72 22.195 50.748 4.571 1.00 1.00 ATOM 115 CA HIS 73 22.719 46.966 4.389 1.00 1.00 ATOM 116 CA THR 74 24.869 47.171 1.245 1.00 1.00 ATOM 117 CA ALA 75 27.298 49.569 2.879 1.00 1.00 ATOM 118 CA LEU 76 27.429 47.476 6.100 1.00 1.00 ATOM 119 CA VAL 77 28.035 44.277 4.134 1.00 1.00 ATOM 120 CA GLY 78 30.941 46.107 2.369 1.00 1.00 ATOM 121 CA ASP 79 32.429 47.188 5.710 1.00 1.00 ATOM 122 CA VAL 80 32.316 43.815 7.498 1.00 1.00 ATOM 136 CA ILE 81 12.181 44.524 2.901 1.00 1.00 ATOM 137 CA ALA 82 12.906 40.794 3.162 1.00 1.00 ATOM 138 CA GLU 83 13.723 40.668 -0.548 1.00 1.00 ATOM 139 CA LEU 84 15.843 43.766 -0.363 1.00 1.00 ATOM 140 CA ALA 85 17.735 42.398 2.662 1.00 1.00 ATOM 141 CA ARG 86 18.508 39.196 0.754 1.00 1.00 ATOM 142 CA SER 87 19.721 41.132 -2.373 1.00 1.00 ATOM 143 CA THR 88 21.855 43.337 -0.078 1.00 1.00 ATOM 144 CA GLY 89 23.800 40.387 1.409 1.00 1.00 ATOM 145 CA TRP 90 22.059 39.657 4.737 1.00 1.00 ATOM 146 CA THR 91 22.648 36.271 6.306 1.00 1.00 ATOM 147 CA GLY 92 19.326 36.346 8.236 1.00 1.00 ATOM 148 CA LEU 93 16.252 38.529 8.777 1.00 1.00 ATOM 149 CA ILE 94 14.481 39.360 12.079 1.00 1.00 ATOM 150 CA VAL 95 10.727 39.530 11.478 1.00 1.00 ATOM 151 CA HIS 96 8.184 41.094 13.759 1.00 1.00 ATOM 152 CA GLY 97 6.839 42.200 16.026 1.00 1.00 ATOM 167 CA ALA 98 1.642 37.708 14.182 1.00 1.00 ATOM 168 CA VAL 99 3.202 35.027 11.949 1.00 1.00 ATOM 169 CA ARG 100 1.719 36.450 8.760 1.00 1.00 ATOM 170 CA ASP 101 4.950 37.654 7.154 1.00 1.00 ATOM 171 CA ALA 102 6.853 34.460 8.035 1.00 1.00 ATOM 172 CA ALA 103 4.184 32.347 6.295 1.00 1.00 ATOM 173 CA ALA 104 4.078 34.711 3.297 1.00 1.00 ATOM 174 CA LEU 105 7.882 34.520 2.813 1.00 1.00 ATOM 175 CA ARG 106 7.853 30.707 2.917 1.00 1.00 ATOM 176 CA GLY 107 4.872 30.697 0.475 1.00 1.00 ATOM 177 CA ILE 108 6.886 32.752 -2.034 1.00 1.00 ATOM 178 CA ASP 109 9.505 30.001 -1.876 1.00 1.00 ATOM 179 CA ILE 110 12.156 32.054 -0.083 1.00 1.00 ATOM 180 CA GLY 111 14.553 30.011 2.044 1.00 1.00 ATOM 181 CA ILE 112 16.530 32.751 3.853 1.00 1.00 ATOM 182 CA LYS 113 17.174 32.199 7.586 1.00 1.00 ATOM 183 CA ALA 114 14.353 33.769 9.622 1.00 1.00 ATOM 184 CA LEU 115 14.107 34.581 13.346 1.00 1.00 ATOM 185 CA GLY 116 10.859 35.765 14.844 1.00 1.00 ATOM 186 CA THR 117 10.910 38.583 17.440 1.00 1.00 ATOM 187 CA ASN 118 8.560 40.656 19.614 1.00 1.00 ATOM 188 CA PRO 119 6.761 39.578 22.808 1.00 1.00 ATOM 190 CA ALA 127 7.550 33.795 25.598 1.00 1.00 ATOM 191 CA GLY 128 7.774 30.084 26.255 1.00 1.00 ATOM 192 CA GLU 129 3.938 29.952 25.987 1.00 1.00 ATOM 193 CA ARG 130 3.751 31.440 22.476 1.00 1.00 ATOM 194 CA ASP 131 6.997 30.408 20.742 1.00 1.00 ATOM 195 CA VAL 132 5.812 27.186 19.058 1.00 1.00 ATOM 196 CA GLU 133 3.609 28.800 16.417 1.00 1.00 ATOM 197 CA ILE 134 6.521 31.015 15.279 1.00 1.00 ATOM 198 CA THR 135 8.504 27.819 14.451 1.00 1.00 ATOM 199 CA LEU 136 5.440 26.073 12.933 1.00 1.00 ATOM 201 CA GLY 137 8.429 28.406 9.172 1.00 1.00 ATOM 202 CA GLY 138 10.901 30.406 11.268 1.00 1.00 ATOM 203 CA VAL 139 14.326 28.997 12.091 1.00 1.00 ATOM 204 CA THR 140 14.257 30.369 15.644 1.00 1.00 ATOM 205 CA PHE 141 12.887 32.811 18.156 1.00 1.00 ATOM 206 CA VAL 142 14.582 35.906 19.660 1.00 1.00 ATOM 207 CA PRO 143 13.746 37.535 22.989 1.00 1.00 ATOM 208 CA GLY 144 14.761 40.136 25.542 1.00 1.00 ATOM 209 CA ASP 145 12.307 40.236 28.478 1.00 1.00 ATOM 210 CA ILE 146 11.252 36.607 28.649 1.00 1.00 ATOM 211 CA ALA 147 14.816 35.748 29.710 1.00 1.00 ATOM 212 CA TYR 148 16.345 39.021 31.028 1.00 1.00 ATOM 213 CA SER 149 13.492 39.673 33.499 1.00 1.00 ATOM 214 CA ASP 150 12.906 36.042 34.518 1.00 1.00 ATOM 215 CA ASP 151 13.289 35.054 38.144 1.00 1.00 ATOM 216 CA ASP 152 15.567 32.347 36.818 1.00 1.00 ATOM 217 CA GLY 153 17.189 33.196 33.460 1.00 1.00 ATOM 218 CA ILE 154 19.094 29.878 33.215 1.00 1.00 ATOM 219 CA ILE 155 15.954 27.782 33.502 1.00 1.00 ATOM 220 CA VAL 156 14.080 30.117 31.119 1.00 1.00 ATOM 221 CA VAL 157 16.823 29.629 28.463 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:56:29 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g779uSnU005725 for ; Wed, 7 Aug 2002 02:56:29 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id CAA10010262 for karplus@soe.ucsc.edu; Wed, 7 Aug 2002 02:56:23 -0700 (PDT) Date: Wed, 7 Aug 2002 02:56:23 -0700 (PDT) From: Automatic Reply Message-Id: <200208070956.CAA10010262@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0156 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 02:28:50 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_411117_18921 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0156TS007_1 Current information on models submitted in prediction T0156TS007 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 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 T0156 MODEL_INDEX PIN CODE DATE E-mail T0156TS007_1 PIN_411117_18921 6269-7633-6117 08/07/02 02:28:50 casp5@bialko.llnl.gov T0156SS007_1 PIN_357896_12769 6269-7633-6117 07/19/02 15:24:06 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 T0156 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1BS2_A # Loading PARENT structure: 1bs2 (chain: A) # Number of residues in PARENT structure: 603 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 57 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue D 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 70 # IMPORTANT NOTE! Not complete main chain atoms for residue S 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue A 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue T 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue W 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue R 100 # IMPORTANT NOTE! Not complete main chain atoms for residue D 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue R 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue I 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue G 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue T 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue T 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue V 142 # IMPORTANT NOTE! Not complete main chain atoms for residue P 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue S 149 # IMPORTANT NOTE! Not complete main chain atoms for residue D 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue D 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue V 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0156 # Total number of residues in target: 157 # Total number of residues in model: 99 # Total number of atoms in model: 99 # Number of atoms with 1.0 occupancy: 99 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 99 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0156 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1BS2_A ATOM 138 CA GLN 57 25.589 76.667 -10.089 1.00 1.00 ATOM 139 CA PRO 58 27.117 80.092 -9.528 1.00 1.00 ATOM 140 CA SER 59 25.276 81.005 -12.721 1.00 1.00 ATOM 141 CA ALA 60 21.691 80.617 -13.987 1.00 1.00 ATOM 142 CA GLY 61 20.781 80.629 -17.697 1.00 1.00 ATOM 143 CA GLY 62 24.003 82.214 -18.922 1.00 1.00 ATOM 144 CA VAL 63 25.641 81.453 -22.246 1.00 1.00 ATOM 145 CA LEU 64 29.280 81.932 -23.158 1.00 1.00 ATOM 146 CA VAL 65 31.157 81.457 -26.399 1.00 1.00 ATOM 147 CA ILE 66 34.740 80.323 -26.019 1.00 1.00 ATOM 148 CA ASP 67 36.788 80.613 -29.199 1.00 1.00 ATOM 149 CA GLY 68 40.147 78.828 -29.106 1.00 1.00 ATOM 150 CA ALA 69 42.924 77.077 -31.057 1.00 1.00 ATOM 161 CA GLY 70 50.477 79.742 -30.326 1.00 1.00 ATOM 162 CA SER 71 47.601 77.631 -31.576 1.00 1.00 ATOM 163 CA LEU 72 48.573 74.769 -29.274 1.00 1.00 ATOM 164 CA HIS 73 48.631 77.000 -26.213 1.00 1.00 ATOM 165 CA THR 74 45.320 78.553 -27.178 1.00 1.00 ATOM 166 CA ALA 75 43.998 75.013 -27.675 1.00 1.00 ATOM 167 CA LEU 76 44.938 73.873 -24.181 1.00 1.00 ATOM 168 CA VAL 77 43.791 76.947 -22.249 1.00 1.00 ATOM 169 CA GLY 78 40.516 77.073 -24.157 1.00 1.00 ATOM 170 CA ASP 79 39.663 73.430 -23.671 1.00 1.00 ATOM 171 CA VAL 80 40.082 73.917 -19.915 1.00 1.00 ATOM 172 CA ILE 81 38.203 77.198 -19.763 1.00 1.00 ATOM 173 CA ALA 82 35.287 75.458 -21.473 1.00 1.00 ATOM 174 CA GLU 83 35.240 72.580 -18.971 1.00 1.00 ATOM 175 CA LEU 84 35.618 75.027 -16.089 1.00 1.00 ATOM 176 CA ALA 85 32.808 77.226 -17.293 1.00 1.00 ATOM 177 CA ARG 86 30.525 74.201 -17.517 1.00 1.00 ATOM 178 CA SER 87 31.131 72.730 -14.041 1.00 1.00 ATOM 179 CA THR 88 30.249 76.239 -12.918 1.00 1.00 ATOM 180 CA GLY 89 26.815 76.338 -14.544 1.00 1.00 ATOM 181 CA TRP 90 27.363 78.071 -17.880 1.00 1.00 ATOM 182 CA THR 91 26.103 76.950 -21.277 1.00 1.00 ATOM 183 CA GLY 92 29.229 76.689 -23.395 1.00 1.00 ATOM 184 CA LEU 93 29.574 77.100 -27.130 1.00 1.00 ATOM 185 CA ILE 94 33.078 75.892 -27.968 1.00 1.00 ATOM 186 CA VAL 95 33.954 77.661 -31.217 1.00 1.00 ATOM 187 CA HIS 96 36.974 77.178 -33.497 1.00 1.00 ATOM 188 CA GLY 97 37.507 80.313 -35.639 1.00 1.00 ATOM 189 CA ALA 98 39.462 78.706 -38.507 1.00 1.00 ATOM 333 CA VAL 99 45.314 101.835 -28.774 1.00 1.00 ATOM 334 CA ARG 100 45.861 103.595 -32.087 1.00 1.00 ATOM 335 CA ASP 101 44.585 104.447 -35.531 1.00 1.00 ATOM 336 CA ALA 102 43.239 101.015 -36.447 1.00 1.00 ATOM 337 CA ALA 103 42.891 100.248 -40.153 1.00 1.00 ATOM 338 CA ALA 104 39.496 98.812 -41.113 1.00 1.00 ATOM 339 CA LEU 105 39.709 99.041 -44.901 1.00 1.00 ATOM 340 CA ARG 106 42.766 99.443 -47.120 1.00 1.00 ATOM 396 CA GLY 107 30.699 91.241 -22.580 1.00 1.00 ATOM 397 CA ILE 108 33.664 90.352 -24.783 1.00 1.00 ATOM 398 CA ASP 109 36.923 89.246 -23.169 1.00 1.00 ATOM 399 CA ILE 110 40.432 88.424 -24.321 1.00 1.00 ATOM 400 CA GLY 111 42.200 85.688 -22.360 1.00 1.00 ATOM 401 CA ILE 112 45.796 85.976 -23.554 1.00 1.00 ATOM 402 CA LYS 113 49.024 84.100 -22.900 1.00 1.00 ATOM 403 CA ALA 114 52.778 84.268 -23.350 1.00 1.00 ATOM 404 CA LEU 115 54.652 82.102 -25.838 1.00 1.00 ATOM 405 CA GLY 116 55.946 78.532 -25.652 1.00 1.00 ATOM 406 CA THR 117 59.650 78.524 -26.478 1.00 1.00 ATOM 407 CA ASN 118 62.150 76.111 -27.958 1.00 1.00 ATOM 408 CA PRO 119 59.334 73.838 -28.931 1.00 1.00 ATOM 409 CA ARG 120 60.082 74.025 -32.639 1.00 1.00 ATOM 410 CA LYS 121 61.318 70.466 -32.715 1.00 1.00 ATOM 411 CA SER 122 61.017 70.348 -36.489 1.00 1.00 ATOM 412 CA THR 123 64.723 70.420 -37.219 1.00 1.00 ATOM 465 CA GLY 126 52.514 78.930 -14.386 1.00 1.00 ATOM 466 CA ALA 127 50.547 82.067 -15.256 1.00 1.00 ATOM 467 CA GLY 128 49.172 82.195 -18.801 1.00 1.00 ATOM 468 CA GLU 129 51.003 85.417 -19.592 1.00 1.00 ATOM 469 CA ARG 130 54.473 83.996 -18.887 1.00 1.00 ATOM 470 CA ASP 131 56.741 82.624 -21.582 1.00 1.00 ATOM 471 CA VAL 132 57.732 79.056 -20.715 1.00 1.00 ATOM 472 CA GLU 133 60.351 76.663 -22.065 1.00 1.00 ATOM 473 CA ILE 134 59.193 73.444 -23.749 1.00 1.00 ATOM 474 CA THR 135 61.434 70.905 -22.060 1.00 1.00 ATOM 475 CA LEU 136 61.082 67.345 -23.412 1.00 1.00 ATOM 476 CA GLY 137 63.264 65.914 -20.675 1.00 1.00 ATOM 477 CA GLY 138 61.629 67.636 -17.714 1.00 1.00 ATOM 478 CA VAL 139 58.033 67.344 -18.902 1.00 1.00 ATOM 479 CA THR 140 57.976 63.629 -19.740 1.00 1.00 ATOM 480 CA PHE 141 59.670 62.513 -16.527 1.00 1.00 ATOM 514 CA VAL 142 32.342 54.517 7.488 1.00 1.00 ATOM 515 CA PRO 143 33.330 55.671 10.973 1.00 1.00 ATOM 516 CA GLY 144 35.284 58.778 9.951 1.00 1.00 ATOM 517 CA ASP 145 36.184 59.384 13.590 1.00 1.00 ATOM 518 CA ILE 146 38.846 56.724 12.947 1.00 1.00 ATOM 519 CA ALA 147 40.595 59.159 10.596 1.00 1.00 ATOM 520 CA TYR 148 42.344 60.860 13.523 1.00 1.00 ATOM 521 CA SER 149 45.885 61.028 12.075 1.00 1.00 ATOM 522 CA ASP 150 47.112 64.551 11.123 1.00 1.00 ATOM 523 CA ASP 151 48.166 63.262 7.713 1.00 1.00 ATOM 524 CA ASP 152 44.512 62.334 7.211 1.00 1.00 ATOM 525 CA GLY 153 43.136 65.599 8.571 1.00 1.00 ATOM 526 CA ILE 154 45.252 67.429 6.000 1.00 1.00 ATOM 527 CA ILE 155 43.927 65.439 3.051 1.00 1.00 ATOM 528 CA VAL 156 40.321 65.900 4.226 1.00 1.00 ATOM 529 CA VAL 157 40.960 69.618 4.561 1.00 1.00 TER END ################################ # # # END # # # ################################