From mailer@bialko.llnl.gov Tue Jul 2 10:27:49 2002 Date: Tue, 2 Jul 2002 10:27:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 2 10:00:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_122424_11336 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0145SS007_1 Current information on models submitted in prediction T0145SS007 MODEL_INDEX PIN CODE DATE E-mail T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 MODEL_INDEX PIN CODE DATE E-mail T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 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: 216 # Number of residues with nonzero confidence: 216 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0145 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-12686.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-8764//target-align-8764.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 2.96979 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-12686.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc67.15250/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: Mon Jul 1 11:16:44 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-8764//target-align-8764.a2m METHOD METHOD guide seq name: seed-seqs-12686.a2m(1), 216 bases, B52E2034 checksum. METHOD ###end 0 MODEL 1 I H 0.361 M H 0.357 W C 0.416 R H 0.559 N H 0.568 A H 0.578 K H 0.522 R H 0.56 Q H 0.565 S H 0.535 D H 0.525 R H 0.483 F H 0.44 Y C 0.46 D C 0.533 E H 0.516 D H 0.473 V H 0.426 F H 0.352 I C 0.418 N C 0.581 G C 0.665 E C 0.709 G C 0.728 L C 0.671 E C 0.654 P C 0.617 E C 0.589 Q C 0.559 D C 0.595 T C 0.607 R C 0.612 G C 0.613 V C 0.535 D C 0.541 N H 0.463 A H 0.489 H H 0.502 M H 0.484 V H 0.484 T H 0.458 N H 0.419 H C 0.452 H C 0.434 A C 0.43 L C 0.467 R C 0.533 S C 0.605 R C 0.601 D C 0.636 N C 0.574 I E 0.373 Y E 0.447 E E 0.475 Y E 0.453 R C 0.429 D C 0.593 S C 0.747 P C 0.685 S C 0.621 T H 0.447 K H 0.42 T H 0.45 L H 0.459 A H 0.43 S C 0.436 K C 0.503 A C 0.621 H C 0.701 T C 0.701 D C 0.728 T C 0.697 T C 0.66 S C 0.584 L C 0.546 R C 0.587 S C 0.719 P C 0.617 S C 0.559 S C 0.481 L C 0.462 A C 0.442 M C 0.419 T C 0.422 Q C 0.395 K C 0.455 S C 0.531 S C 0.626 S C 0.646 Q C 0.474 A C 0.459 S C 0.424 L H 0.372 K C 0.383 S C 0.394 G C 0.388 I E 0.431 S E 0.449 L E 0.386 K C 0.417 E C 0.481 T C 0.588 N C 0.683 G C 0.667 H C 0.585 L C 0.488 V C 0.481 K C 0.487 Q C 0.508 S C 0.572 E C 0.596 R C 0.58 A C 0.596 A C 0.645 T C 0.689 P C 0.543 R C 0.45 S H 0.43 Q C 0.446 Q C 0.518 N C 0.595 G C 0.631 S C 0.513 I E 0.369 A E 0.381 K E 0.366 V C 0.44 A C 0.574 S C 0.686 P C 0.759 P C 0.663 V H 0.527 E H 0.554 E H 0.597 K H 0.55 R H 0.511 L H 0.462 L H 0.415 Q C 0.498 P C 0.558 L C 0.538 S C 0.591 S C 0.618 T C 0.699 P C 0.662 V H 0.449 T H 0.48 Q H 0.524 L H 0.506 Q H 0.54 A H 0.494 E C 0.455 P C 0.448 A C 0.454 K C 0.478 R C 0.523 V C 0.564 P C 0.548 T C 0.519 A C 0.501 A C 0.471 S C 0.433 V C 0.447 S C 0.549 G C 0.641 S C 0.642 S C 0.609 R C 0.585 S C 0.571 T C 0.534 T C 0.614 P C 0.629 V C 0.628 P C 0.637 S C 0.625 A C 0.626 R C 0.635 S C 0.652 T C 0.651 T C 0.6 T C 0.564 H C 0.541 T C 0.534 T C 0.549 T C 0.543 A C 0.491 T C 0.477 L C 0.461 S C 0.583 S C 0.617 Q C 0.668 P C 0.643 A C 0.607 A C 0.598 Q C 0.641 P C 0.62 R C 0.569 R C 0.57 T C 0.532 H C 0.457 L E 0.387 V E 0.422 E C 0.426 G C 0.564 V C 0.649 P C 0.715 Q C 0.557 T C 0.532 S C 0.46 V C 0.463 H E 0.396 H C 0.392 H C 0.45 H C 0.485 H C 0.53 H C 0.649 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:04:39 2002 Date: Thu, 25 Jul 2002 19:04:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0145 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 18:37:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_489210_15392 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0145TS007_3 Current information on models submitted in prediction T0145TS007 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 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 T0145 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 casp5@bialko.llnl.gov T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1FGQ_A # Loading PARENT structure: 1fgq (chain: A) # Number of residues in PARENT structure: 820 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue R 12 # IMPORTANT NOTE! Not complete main chain atoms for residue F 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue E 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0145 # Total number of residues in target: 216 # Total number of residues in model: 20 # Total number of atoms in model: 20 # Number of atoms with 1.0 occupancy: 20 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 20 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0145 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1FGQ_A ATOM 177 CA LYS 7 42.693 56.181 22.267 1.00 1.00 ATOM 178 CA ARG 8 44.377 57.465 19.121 1.00 1.00 ATOM 179 CA GLN 9 43.951 56.479 15.488 1.00 1.00 ATOM 180 CA SER 10 47.135 54.363 15.523 1.00 1.00 ATOM 181 CA ASP 11 46.516 52.610 18.845 1.00 1.00 ATOM 182 CA ARG 12 45.885 48.876 18.783 1.00 1.00 ATOM 183 CA PHE 13 44.485 48.839 22.284 1.00 1.00 ATOM 184 CA TYR 14 41.469 46.637 22.921 1.00 1.00 ATOM 185 CA ASP 15 39.458 47.247 26.089 1.00 1.00 ATOM 186 CA GLU 16 35.849 47.505 27.292 1.00 1.00 ATOM 187 CA ASP 17 33.517 50.287 28.280 1.00 1.00 ATOM 188 CA VAL 18 29.771 50.765 28.732 1.00 1.00 ATOM 189 CA PHE 19 27.409 52.479 26.284 1.00 1.00 ATOM 190 CA ILE 20 27.741 55.916 27.888 1.00 1.00 ATOM 191 CA ASN 21 28.710 57.636 24.634 1.00 1.00 ATOM 192 CA GLY 22 25.285 57.781 22.946 1.00 1.00 ATOM 193 CA GLU 23 23.805 60.760 24.722 1.00 1.00 ATOM 194 CA GLY 24 24.929 64.305 24.045 1.00 1.00 ATOM 195 CA LEU 25 24.027 66.078 27.315 1.00 1.00 ATOM 196 CA GLU 26 26.505 68.893 26.676 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:05:08 2002 Date: Thu, 25 Jul 2002 19:05:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0145 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 18:38:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_506889_15393 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0145TS007_2 Current information on models submitted in prediction T0145TS007 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 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 T0145 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 casp5@bialko.llnl.gov T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1EOM_A # Loading PARENT structure: 1eom (chain: A) # Number of residues in PARENT structure: 283 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 37 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue R 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue N 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue S 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue M 83 # IMPORTANT NOTE! Not complete main chain atoms for residue T 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue G 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue K 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 139 # IMPORTANT NOTE! Not complete main chain atoms for residue P 140 # IMPORTANT NOTE! Not complete main chain atoms for residue L 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue P 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 171 # IMPORTANT NOTE! Not complete main chain atoms for residue P 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue P 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue A 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 177 # IMPORTANT NOTE! Not complete main chain atoms for residue S 178 # IMPORTANT NOTE! Not complete main chain atoms for residue T 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue T 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue S 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue A 193 # IMPORTANT NOTE! Not complete main chain atoms for residue A 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue R 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue T 199 # IMPORTANT NOTE! Not complete main chain atoms for residue H 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue V 202 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0145 # Total number of residues in target: 216 # Total number of residues in model: 154 # Total number of atoms in model: 154 # Number of atoms with 1.0 occupancy: 154 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 154 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0145 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1EOM_A ATOM 8 CA ALA 37 -2.751 63.976 -0.880 1.00 1.00 ATOM 9 CA HIS 38 -5.217 66.550 0.339 1.00 1.00 ATOM 10 CA MET 39 -4.958 70.015 1.688 1.00 1.00 ATOM 11 CA VAL 40 -4.044 70.636 5.306 1.00 1.00 ATOM 12 CA THR 41 -5.846 73.677 6.653 1.00 1.00 ATOM 13 CA ASN 42 -4.753 74.928 10.027 1.00 1.00 ATOM 14 CA HIS 43 -6.904 76.835 12.393 1.00 1.00 ATOM 15 CA HIS 44 -4.881 79.129 14.635 1.00 1.00 ATOM 16 CA ALA 45 -7.046 80.477 17.428 1.00 1.00 ATOM 17 CA LEU 46 -5.610 83.723 18.587 1.00 1.00 ATOM 18 CA ARG 47 -6.664 83.514 22.258 1.00 1.00 ATOM 19 CA SER 48 -3.150 83.207 23.644 1.00 1.00 ATOM 20 CA ARG 49 -3.211 79.498 24.355 1.00 1.00 ATOM 21 CA ASP 50 0.139 77.688 24.034 1.00 1.00 ATOM 22 CA ASN 51 1.788 81.158 23.496 1.00 1.00 ATOM 23 CA ILE 52 5.224 79.902 22.518 1.00 1.00 ATOM 24 CA TYR 53 3.599 78.500 19.362 1.00 1.00 ATOM 25 CA GLU 54 3.344 81.663 17.376 1.00 1.00 ATOM 26 CA TYR 55 1.326 82.080 14.237 1.00 1.00 ATOM 27 CA ARG 56 4.615 82.193 12.287 1.00 1.00 ATOM 28 CA ASP 57 5.553 78.829 13.747 1.00 1.00 ATOM 29 CA SER 58 3.034 77.067 11.528 1.00 1.00 ATOM 30 CA PRO 59 5.192 74.309 10.071 1.00 1.00 ATOM 31 CA SER 60 5.585 73.308 6.451 1.00 1.00 ATOM 32 CA THR 61 3.179 71.033 4.610 1.00 1.00 ATOM 33 CA LYS 62 0.341 73.256 5.962 1.00 1.00 ATOM 34 CA THR 63 -1.395 74.915 3.008 1.00 1.00 ATOM 35 CA LEU 64 -3.547 77.435 4.757 1.00 1.00 ATOM 36 CA ALA 65 -4.024 78.912 8.143 1.00 1.00 ATOM 37 CA SER 66 -7.339 80.366 9.232 1.00 1.00 ATOM 38 CA LYS 67 -7.067 83.114 11.844 1.00 1.00 ATOM 39 CA ALA 68 -9.784 82.232 14.350 1.00 1.00 ATOM 40 CA HIS 69 -11.244 83.815 17.446 1.00 1.00 ATOM 41 CA THR 70 -9.991 87.192 16.244 1.00 1.00 ATOM 42 CA ASP 71 -12.986 89.017 14.767 1.00 1.00 ATOM 47 CA THR 72 -11.249 96.795 10.957 1.00 1.00 ATOM 48 CA THR 73 -10.626 98.964 14.008 1.00 1.00 ATOM 49 CA SER 74 -7.433 97.833 15.726 1.00 1.00 ATOM 50 CA LEU 75 -7.791 100.246 18.611 1.00 1.00 ATOM 51 CA ARG 76 -10.649 98.456 20.385 1.00 1.00 ATOM 52 CA SER 77 -9.046 95.187 21.487 1.00 1.00 ATOM 53 CA PRO 78 -5.650 95.684 23.075 1.00 1.00 ATOM 54 CA SER 79 -3.001 93.438 21.617 1.00 1.00 ATOM 55 CA SER 80 -1.961 90.602 23.849 1.00 1.00 ATOM 56 CA LEU 81 -5.436 90.384 25.371 1.00 1.00 ATOM 57 CA ALA 82 -8.669 88.482 24.514 1.00 1.00 ATOM 58 CA MET 83 -8.741 87.382 20.857 1.00 1.00 ATOM 59 CA THR 84 -5.425 89.206 20.361 1.00 1.00 ATOM 60 CA GLN 85 -3.976 87.256 23.234 1.00 1.00 ATOM 61 CA LYS 86 -1.729 85.412 20.841 1.00 1.00 ATOM 62 CA SER 87 0.190 88.533 19.788 1.00 1.00 ATOM 63 CA SER 88 2.188 91.269 21.453 1.00 1.00 ATOM 64 CA SER 89 0.511 93.875 19.290 1.00 1.00 ATOM 65 CA GLN 90 -1.244 94.315 16.002 1.00 1.00 ATOM 66 CA ALA 91 2.159 94.897 14.377 1.00 1.00 ATOM 67 CA SER 92 3.301 91.517 15.650 1.00 1.00 ATOM 68 CA LEU 93 0.157 89.929 14.146 1.00 1.00 ATOM 69 CA LYS 94 0.679 91.707 10.829 1.00 1.00 ATOM 70 CA SER 95 4.345 90.599 10.702 1.00 1.00 ATOM 71 CA GLY 96 3.665 86.945 11.452 1.00 1.00 ATOM 72 CA ILE 97 0.943 86.795 8.845 1.00 1.00 ATOM 73 CA SER 98 3.404 87.975 6.215 1.00 1.00 ATOM 74 CA LEU 99 5.805 85.387 7.514 1.00 1.00 ATOM 75 CA LYS 100 3.352 82.680 6.527 1.00 1.00 ATOM 76 CA GLU 101 2.376 84.181 3.150 1.00 1.00 ATOM 77 CA THR 102 5.957 84.671 2.013 1.00 1.00 ATOM 78 CA ASN 103 6.387 80.959 2.588 1.00 1.00 ATOM 79 CA GLY 104 3.393 80.429 0.305 1.00 1.00 ATOM 80 CA HIS 105 0.944 79.540 3.103 1.00 1.00 ATOM 81 CA LEU 106 -2.446 81.183 2.506 1.00 1.00 ATOM 82 CA VAL 107 -3.859 83.035 5.506 1.00 1.00 ATOM 83 CA LYS 108 -7.655 83.326 5.760 1.00 1.00 ATOM 84 CA GLN 109 -9.826 85.199 8.206 1.00 1.00 ATOM 85 CA SER 110 -12.629 83.398 9.948 1.00 1.00 ATOM 87 CA GLU 111 -18.858 83.865 11.767 1.00 1.00 ATOM 88 CA ARG 112 -22.451 83.816 10.642 1.00 1.00 ATOM 89 CA ALA 113 -24.636 85.988 12.816 1.00 1.00 ATOM 90 CA ALA 114 -28.356 86.604 13.280 1.00 1.00 ATOM 91 CA THR 115 -27.796 90.016 11.605 1.00 1.00 ATOM 92 CA PRO 116 -27.244 87.990 8.388 1.00 1.00 ATOM 93 CA ARG 117 -30.998 87.261 8.462 1.00 1.00 ATOM 94 CA SER 118 -31.787 91.024 8.533 1.00 1.00 ATOM 95 CA GLN 119 -31.465 93.723 5.898 1.00 1.00 ATOM 96 CA GLN 120 -28.578 95.149 7.945 1.00 1.00 ATOM 97 CA ASN 121 -25.995 92.331 8.112 1.00 1.00 ATOM 98 CA GLY 122 -23.067 93.216 10.354 1.00 1.00 ATOM 99 CA SER 123 -24.862 96.490 10.901 1.00 1.00 ATOM 100 CA ILE 124 -24.133 97.501 7.341 1.00 1.00 ATOM 101 CA ALA 125 -26.741 98.900 4.987 1.00 1.00 ATOM 102 CA LYS 126 -27.157 95.757 2.865 1.00 1.00 ATOM 103 CA VAL 127 -25.540 92.421 2.126 1.00 1.00 ATOM 104 CA ALA 128 -23.630 94.199 -0.695 1.00 1.00 ATOM 105 CA SER 129 -22.404 96.751 1.835 1.00 1.00 ATOM 106 CA PRO 130 -21.451 93.924 4.245 1.00 1.00 ATOM 107 CA PRO 131 -19.646 92.125 1.439 1.00 1.00 ATOM 108 CA VAL 132 -17.710 95.249 0.476 1.00 1.00 ATOM 109 CA GLU 133 -16.722 95.759 4.118 1.00 1.00 ATOM 110 CA GLU 134 -15.408 92.233 4.549 1.00 1.00 ATOM 111 CA LYS 135 -13.516 92.654 1.274 1.00 1.00 ATOM 112 CA ARG 136 -12.259 96.047 2.409 1.00 1.00 ATOM 113 CA LEU 137 -11.039 94.777 5.805 1.00 1.00 ATOM 114 CA LEU 138 -9.755 91.280 4.931 1.00 1.00 ATOM 115 CA GLN 139 -8.361 91.978 1.512 1.00 1.00 ATOM 116 CA PRO 140 -7.821 95.696 0.958 1.00 1.00 ATOM 117 CA LEU 141 -6.512 96.417 4.410 1.00 1.00 ATOM 118 CA SER 142 -5.005 93.191 5.731 1.00 1.00 ATOM 119 CA SER 143 -4.127 91.675 2.372 1.00 1.00 ATOM 120 CA THR 144 -5.359 88.281 3.461 1.00 1.00 ATOM 121 CA PRO 145 -5.920 85.332 1.135 1.00 1.00 ATOM 122 CA VAL 146 -9.590 84.865 1.830 1.00 1.00 ATOM 123 CA THR 147 -12.110 83.970 4.489 1.00 1.00 ATOM 124 CA GLN 148 -13.667 80.896 5.987 1.00 1.00 ATOM 125 CA LEU 149 -17.268 81.064 7.168 1.00 1.00 ATOM 126 CA GLN 150 -18.022 79.474 10.505 1.00 1.00 ATOM 127 CA ALA 151 -21.692 78.697 9.980 1.00 1.00 ATOM 128 CA GLU 152 -23.429 77.535 13.162 1.00 1.00 ATOM 129 CA PRO 153 -24.521 80.547 15.221 1.00 1.00 ATOM 130 CA ALA 154 -27.985 81.211 16.549 1.00 1.00 ATOM 131 CA LYS 155 -30.830 82.973 14.829 1.00 1.00 ATOM 132 CA ARG 156 -34.306 82.274 13.587 1.00 1.00 ATOM 133 CA VAL 157 -34.913 78.615 12.845 1.00 1.00 ATOM 134 CA PRO 158 -36.306 77.614 9.500 1.00 1.00 ATOM 135 CA THR 171 -40.038 77.435 9.154 1.00 1.00 ATOM 136 CA PRO 172 -41.277 74.895 8.749 1.00 1.00 ATOM 137 CA VAL 173 -38.377 72.965 10.273 1.00 1.00 ATOM 138 CA PRO 174 -37.834 70.063 7.895 1.00 1.00 ATOM 139 CA SER 175 -37.501 66.538 9.158 1.00 1.00 ATOM 140 CA ALA 176 -33.777 65.847 9.478 1.00 1.00 ATOM 141 CA ARG 177 -32.824 62.738 7.405 1.00 1.00 ATOM 142 CA SER 178 -31.039 61.115 10.311 1.00 1.00 ATOM 143 CA THR 179 -27.870 59.324 11.199 1.00 1.00 ATOM 144 CA THR 180 -27.653 56.598 8.556 1.00 1.00 ATOM 145 CA THR 181 -28.255 59.215 5.922 1.00 1.00 ATOM 146 CA HIS 182 -25.966 62.002 7.131 1.00 1.00 ATOM 147 CA THR 183 -23.762 60.991 10.016 1.00 1.00 ATOM 148 CA THR 184 -25.762 63.228 12.383 1.00 1.00 ATOM 149 CA THR 185 -28.819 62.424 14.540 1.00 1.00 ATOM 150 CA ALA 186 -30.833 65.588 13.995 1.00 1.00 ATOM 151 CA THR 187 -30.697 69.347 13.673 1.00 1.00 ATOM 152 CA LEU 188 -28.161 71.354 15.665 1.00 1.00 ATOM 153 CA SER 189 -30.884 73.483 17.280 1.00 1.00 ATOM 154 CA SER 190 -28.503 76.317 17.928 1.00 1.00 ATOM 155 CA GLN 191 -27.974 77.201 14.269 1.00 1.00 ATOM 156 CA PRO 192 -30.140 79.325 11.954 1.00 1.00 ATOM 157 CA ALA 193 -32.128 79.231 8.772 1.00 1.00 ATOM 158 CA ALA 194 -30.505 80.219 5.523 1.00 1.00 ATOM 159 CA GLN 195 -33.229 82.745 4.750 1.00 1.00 ATOM 160 CA PRO 196 -32.921 84.831 1.520 1.00 1.00 ATOM 161 CA ARG 197 -31.288 87.635 3.470 1.00 1.00 ATOM 162 CA ARG 198 -28.790 85.141 4.890 1.00 1.00 ATOM 163 CA THR 199 -28.109 83.801 1.392 1.00 1.00 ATOM 164 CA HIS 200 -27.553 87.355 0.125 1.00 1.00 ATOM 165 CA LEU 201 -24.665 87.795 2.496 1.00 1.00 ATOM 166 CA VAL 202 -22.794 84.772 1.232 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:05:18 2002 Date: Thu, 25 Jul 2002 19:05:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0145 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 18:38:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_499312_15394 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0145TS007_5 Current information on models submitted in prediction T0145TS007 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_5 PIN_499312_15394 6269-7633-6117 07/25/02 18:38:20 casp5@bialko.llnl.gov T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 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 T0145 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 casp5@bialko.llnl.gov T0145TS007_5 PIN_499312_15394 6269-7633-6117 07/25/02 18:38:20 casp5@bialko.llnl.gov T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1F8N_A # Loading PARENT structure: 1f8n (chain: A) # Number of residues in PARENT structure: 818 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue R 12 # IMPORTANT NOTE! Not complete main chain atoms for residue F 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue E 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0145 # Total number of residues in target: 216 # Total number of residues in model: 20 # Total number of atoms in model: 20 # Number of atoms with 1.0 occupancy: 20 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 20 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0145 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1F8N_A ATOM 177 CA LYS 7 43.317 56.509 22.444 1.00 1.00 ATOM 178 CA ARG 8 45.042 57.751 19.287 1.00 1.00 ATOM 179 CA GLN 9 44.718 56.740 15.618 1.00 1.00 ATOM 180 CA SER 10 47.872 54.598 15.570 1.00 1.00 ATOM 181 CA ASP 11 47.189 52.878 18.910 1.00 1.00 ATOM 182 CA ARG 12 46.573 49.100 18.913 1.00 1.00 ATOM 183 CA PHE 13 45.103 48.895 22.415 1.00 1.00 ATOM 184 CA TYR 14 42.086 46.666 23.166 1.00 1.00 ATOM 185 CA ASP 15 40.073 47.317 26.367 1.00 1.00 ATOM 186 CA GLU 16 36.450 47.662 27.626 1.00 1.00 ATOM 187 CA ASP 17 34.076 50.486 28.610 1.00 1.00 ATOM 188 CA VAL 18 30.302 50.944 29.062 1.00 1.00 ATOM 189 CA PHE 19 27.927 52.650 26.634 1.00 1.00 ATOM 190 CA ILE 20 28.256 56.141 28.154 1.00 1.00 ATOM 191 CA ASN 21 29.130 57.872 24.869 1.00 1.00 ATOM 192 CA GLY 22 25.683 58.016 23.207 1.00 1.00 ATOM 193 CA GLU 23 24.198 61.059 24.930 1.00 1.00 ATOM 194 CA GLY 24 25.305 64.657 24.303 1.00 1.00 ATOM 195 CA LEU 25 24.391 66.484 27.569 1.00 1.00 ATOM 196 CA GLU 26 26.799 69.389 26.935 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:06:19 2002 Date: Thu, 25 Jul 2002 19:06:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0145 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 18:38:50 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_511292_15396 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0145TS007_1 Current information on models submitted in prediction T0145TS007 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_1 PIN_511292_15396 6269-7633-6117 07/25/02 18:38:50 casp5@bialko.llnl.gov T0145TS007_5 PIN_499312_15394 6269-7633-6117 07/25/02 18:38:20 casp5@bialko.llnl.gov T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 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 T0145 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_1 PIN_511292_15396 6269-7633-6117 07/25/02 18:38:50 casp5@bialko.llnl.gov T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 casp5@bialko.llnl.gov T0145TS007_5 PIN_499312_15394 6269-7633-6117 07/25/02 18:38:20 casp5@bialko.llnl.gov T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1EOK_A # Loading PARENT structure: 1eok (chain: A) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 37 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 H 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue H 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue R 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue N 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 59 # IMPORTANT NOTE! Not complete main chain atoms for residue S 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue S 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue M 83 # IMPORTANT NOTE! Not complete main chain atoms for residue T 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue K 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue S 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue A 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue G 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue L 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue K 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue G 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 E 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 139 # IMPORTANT NOTE! Not complete main chain atoms for residue P 140 # IMPORTANT NOTE! Not complete main chain atoms for residue L 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue P 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 171 # IMPORTANT NOTE! Not complete main chain atoms for residue P 172 # IMPORTANT NOTE! Not complete main chain atoms for residue V 173 # IMPORTANT NOTE! Not complete main chain atoms for residue P 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue A 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 177 # IMPORTANT NOTE! Not complete main chain atoms for residue S 178 # IMPORTANT NOTE! Not complete main chain atoms for residue T 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue T 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue S 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue A 193 # IMPORTANT NOTE! Not complete main chain atoms for residue A 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue R 197 # IMPORTANT NOTE! Not complete main chain atoms for residue R 198 # IMPORTANT NOTE! Not complete main chain atoms for residue T 199 # IMPORTANT NOTE! Not complete main chain atoms for residue H 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue V 202 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0145 # Total number of residues in target: 216 # Total number of residues in model: 154 # Total number of atoms in model: 154 # Number of atoms with 1.0 occupancy: 154 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 154 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0145 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1EOK_A ATOM 8 CA ALA 37 -2.933 64.628 -0.778 1.00 1.00 ATOM 9 CA HIS 38 -5.499 67.086 0.437 1.00 1.00 ATOM 10 CA MET 39 -5.117 70.550 1.808 1.00 1.00 ATOM 11 CA VAL 40 -4.227 71.219 5.442 1.00 1.00 ATOM 12 CA THR 41 -6.089 74.238 6.780 1.00 1.00 ATOM 13 CA ASN 42 -4.981 75.491 10.177 1.00 1.00 ATOM 14 CA HIS 43 -7.145 77.457 12.554 1.00 1.00 ATOM 15 CA HIS 44 -5.024 79.747 14.702 1.00 1.00 ATOM 16 CA ALA 45 -7.088 81.022 17.635 1.00 1.00 ATOM 17 CA LEU 46 -5.779 84.415 18.705 1.00 1.00 ATOM 18 CA ARG 47 -6.645 84.271 22.403 1.00 1.00 ATOM 19 CA SER 48 -3.096 84.012 23.685 1.00 1.00 ATOM 20 CA ARG 49 -3.103 80.299 24.439 1.00 1.00 ATOM 21 CA ASP 50 0.263 78.531 24.026 1.00 1.00 ATOM 22 CA ASN 51 1.832 81.992 23.405 1.00 1.00 ATOM 23 CA ILE 52 5.302 80.740 22.481 1.00 1.00 ATOM 24 CA TYR 53 3.724 79.167 19.385 1.00 1.00 ATOM 25 CA GLU 54 3.304 82.355 17.372 1.00 1.00 ATOM 26 CA TYR 55 1.198 82.760 14.260 1.00 1.00 ATOM 27 CA ARG 56 4.436 82.969 12.256 1.00 1.00 ATOM 28 CA ASP 57 5.462 79.586 13.669 1.00 1.00 ATOM 29 CA SER 58 2.886 77.712 11.581 1.00 1.00 ATOM 30 CA PRO 59 5.057 75.005 10.002 1.00 1.00 ATOM 31 CA SER 60 5.541 73.877 6.441 1.00 1.00 ATOM 32 CA THR 61 2.996 71.679 4.661 1.00 1.00 ATOM 33 CA LYS 62 0.208 73.897 6.006 1.00 1.00 ATOM 34 CA THR 63 -1.647 75.438 3.061 1.00 1.00 ATOM 35 CA LEU 64 -3.728 78.025 4.875 1.00 1.00 ATOM 36 CA ALA 65 -4.308 79.553 8.257 1.00 1.00 ATOM 37 CA SER 66 -7.595 81.012 9.409 1.00 1.00 ATOM 38 CA LYS 67 -7.405 83.704 12.075 1.00 1.00 ATOM 39 CA ALA 68 -10.037 82.678 14.591 1.00 1.00 ATOM 40 CA HIS 69 -11.264 84.446 17.703 1.00 1.00 ATOM 41 CA THR 70 -10.090 87.775 16.352 1.00 1.00 ATOM 42 CA ASP 71 -13.144 89.572 14.902 1.00 1.00 ATOM 47 CA THR 72 -11.656 97.421 10.896 1.00 1.00 ATOM 48 CA THR 73 -10.900 99.622 13.925 1.00 1.00 ATOM 49 CA SER 74 -7.699 98.541 15.699 1.00 1.00 ATOM 50 CA LEU 75 -8.187 101.049 18.515 1.00 1.00 ATOM 51 CA ARG 76 -11.022 99.271 20.334 1.00 1.00 ATOM 52 CA SER 77 -9.273 96.068 21.390 1.00 1.00 ATOM 53 CA PRO 78 -5.811 96.545 22.892 1.00 1.00 ATOM 54 CA SER 79 -3.119 94.281 21.525 1.00 1.00 ATOM 55 CA SER 80 -2.148 91.420 23.795 1.00 1.00 ATOM 56 CA LEU 81 -5.617 91.246 25.365 1.00 1.00 ATOM 57 CA ALA 82 -8.830 89.311 24.644 1.00 1.00 ATOM 58 CA MET 83 -8.934 88.110 21.043 1.00 1.00 ATOM 59 CA THR 84 -5.638 89.935 20.420 1.00 1.00 ATOM 60 CA GLN 85 -4.031 88.003 23.268 1.00 1.00 ATOM 61 CA LYS 86 -1.779 86.169 20.803 1.00 1.00 ATOM 62 CA SER 87 0.005 89.343 19.666 1.00 1.00 ATOM 63 CA SER 88 1.989 92.094 21.365 1.00 1.00 ATOM 64 CA SER 89 0.351 94.695 19.147 1.00 1.00 ATOM 65 CA GLN 90 -1.419 95.103 15.825 1.00 1.00 ATOM 66 CA ALA 91 1.968 95.696 14.202 1.00 1.00 ATOM 67 CA SER 92 3.051 92.294 15.550 1.00 1.00 ATOM 68 CA LEU 93 -0.092 90.714 14.059 1.00 1.00 ATOM 69 CA LYS 94 0.478 92.458 10.727 1.00 1.00 ATOM 70 CA SER 95 4.144 91.414 10.600 1.00 1.00 ATOM 71 CA GLY 96 3.372 87.779 11.403 1.00 1.00 ATOM 72 CA ILE 97 0.638 87.583 8.753 1.00 1.00 ATOM 73 CA SER 98 3.162 88.670 6.105 1.00 1.00 ATOM 74 CA LEU 99 5.700 86.092 7.341 1.00 1.00 ATOM 75 CA LYS 100 3.161 83.371 6.605 1.00 1.00 ATOM 76 CA GLU 101 2.056 84.908 3.287 1.00 1.00 ATOM 77 CA THR 102 5.583 85.300 1.935 1.00 1.00 ATOM 78 CA ASN 103 6.039 81.557 2.559 1.00 1.00 ATOM 79 CA GLY 104 3.069 81.024 0.269 1.00 1.00 ATOM 80 CA HIS 105 0.602 80.288 3.082 1.00 1.00 ATOM 81 CA LEU 106 -2.886 81.773 2.594 1.00 1.00 ATOM 82 CA VAL 107 -4.174 83.673 5.616 1.00 1.00 ATOM 83 CA LYS 108 -7.949 83.940 5.960 1.00 1.00 ATOM 84 CA GLN 109 -10.165 85.782 8.388 1.00 1.00 ATOM 85 CA SER 110 -12.947 83.924 10.179 1.00 1.00 ATOM 87 CA GLU 111 -19.298 84.300 12.003 1.00 1.00 ATOM 88 CA ARG 112 -22.821 84.363 10.672 1.00 1.00 ATOM 89 CA ALA 113 -25.024 86.601 12.796 1.00 1.00 ATOM 90 CA ALA 114 -28.737 87.172 13.332 1.00 1.00 ATOM 91 CA THR 115 -28.295 90.576 11.645 1.00 1.00 ATOM 92 CA PRO 116 -27.713 88.580 8.447 1.00 1.00 ATOM 93 CA ARG 117 -31.470 87.766 8.547 1.00 1.00 ATOM 94 CA SER 118 -32.161 91.541 8.665 1.00 1.00 ATOM 95 CA GLN 119 -32.012 94.333 6.083 1.00 1.00 ATOM 96 CA GLN 120 -28.970 95.754 7.887 1.00 1.00 ATOM 97 CA ASN 121 -26.414 92.933 8.102 1.00 1.00 ATOM 98 CA GLY 122 -23.482 93.789 10.365 1.00 1.00 ATOM 99 CA SER 123 -25.111 97.169 10.925 1.00 1.00 ATOM 100 CA ILE 124 -24.491 98.149 7.317 1.00 1.00 ATOM 101 CA ALA 125 -27.210 99.540 5.026 1.00 1.00 ATOM 102 CA LYS 126 -27.638 96.363 2.988 1.00 1.00 ATOM 103 CA VAL 127 -26.067 93.008 2.167 1.00 1.00 ATOM 104 CA ALA 128 -24.159 94.786 -0.616 1.00 1.00 ATOM 105 CA SER 129 -22.830 97.387 1.831 1.00 1.00 ATOM 106 CA PRO 130 -21.880 94.570 4.200 1.00 1.00 ATOM 107 CA PRO 131 -20.133 92.736 1.369 1.00 1.00 ATOM 108 CA VAL 132 -18.218 95.900 0.396 1.00 1.00 ATOM 109 CA GLU 133 -17.257 96.401 4.027 1.00 1.00 ATOM 110 CA GLU 134 -15.795 92.914 4.488 1.00 1.00 ATOM 111 CA LYS 135 -13.892 93.248 1.205 1.00 1.00 ATOM 112 CA ARG 136 -12.576 96.651 2.329 1.00 1.00 ATOM 113 CA LEU 137 -11.411 95.399 5.732 1.00 1.00 ATOM 114 CA LEU 138 -10.133 91.923 4.863 1.00 1.00 ATOM 115 CA GLN 139 -8.787 92.501 1.378 1.00 1.00 ATOM 116 CA PRO 140 -8.206 96.215 0.798 1.00 1.00 ATOM 117 CA LEU 141 -6.870 97.114 4.240 1.00 1.00 ATOM 118 CA SER 142 -5.355 93.930 5.650 1.00 1.00 ATOM 119 CA SER 143 -4.458 92.258 2.344 1.00 1.00 ATOM 120 CA THR 144 -5.671 88.870 3.587 1.00 1.00 ATOM 121 CA PRO 145 -6.304 85.912 1.277 1.00 1.00 ATOM 122 CA VAL 146 -9.957 85.357 2.004 1.00 1.00 ATOM 123 CA THR 147 -12.509 84.502 4.632 1.00 1.00 ATOM 124 CA GLN 148 -14.039 81.424 6.194 1.00 1.00 ATOM 125 CA LEU 149 -17.657 81.621 7.314 1.00 1.00 ATOM 126 CA GLN 150 -18.406 79.967 10.644 1.00 1.00 ATOM 127 CA ALA 151 -22.099 79.240 10.073 1.00 1.00 ATOM 128 CA GLU 152 -23.816 78.027 13.246 1.00 1.00 ATOM 129 CA PRO 153 -25.002 81.037 15.247 1.00 1.00 ATOM 130 CA ALA 154 -28.486 81.709 16.585 1.00 1.00 ATOM 131 CA LYS 155 -31.285 83.502 14.835 1.00 1.00 ATOM 132 CA ARG 156 -34.787 82.803 13.576 1.00 1.00 ATOM 133 CA VAL 157 -35.343 79.126 12.822 1.00 1.00 ATOM 134 CA PRO 158 -36.887 77.951 9.549 1.00 1.00 ATOM 135 CA THR 171 -40.672 77.774 9.344 1.00 1.00 ATOM 136 CA PRO 172 -41.635 75.110 9.075 1.00 1.00 ATOM 137 CA VAL 173 -38.668 73.201 10.447 1.00 1.00 ATOM 138 CA PRO 174 -38.050 70.365 7.945 1.00 1.00 ATOM 139 CA SER 175 -37.783 66.825 9.279 1.00 1.00 ATOM 140 CA ALA 176 -34.039 66.216 9.600 1.00 1.00 ATOM 141 CA ARG 177 -32.910 63.114 7.571 1.00 1.00 ATOM 142 CA SER 178 -31.299 61.456 10.577 1.00 1.00 ATOM 143 CA THR 179 -28.029 59.751 11.471 1.00 1.00 ATOM 144 CA THR 180 -27.801 57.046 8.804 1.00 1.00 ATOM 145 CA THR 181 -28.398 59.641 6.080 1.00 1.00 ATOM 146 CA HIS 182 -26.158 62.448 7.372 1.00 1.00 ATOM 147 CA THR 183 -23.913 61.419 10.253 1.00 1.00 ATOM 148 CA THR 184 -26.007 63.691 12.531 1.00 1.00 ATOM 149 CA THR 185 -29.020 62.821 14.711 1.00 1.00 ATOM 150 CA ALA 186 -31.003 65.977 14.155 1.00 1.00 ATOM 151 CA THR 187 -30.906 69.741 13.812 1.00 1.00 ATOM 152 CA LEU 188 -28.496 71.812 15.847 1.00 1.00 ATOM 153 CA SER 189 -31.172 74.026 17.451 1.00 1.00 ATOM 154 CA SER 190 -28.740 76.875 18.050 1.00 1.00 ATOM 155 CA GLN 191 -28.356 77.670 14.349 1.00 1.00 ATOM 156 CA PRO 192 -30.541 79.824 12.077 1.00 1.00 ATOM 157 CA ALA 193 -32.486 79.718 8.823 1.00 1.00 ATOM 158 CA ALA 194 -30.903 80.730 5.541 1.00 1.00 ATOM 159 CA GLN 195 -33.663 83.230 4.780 1.00 1.00 ATOM 160 CA PRO 196 -33.416 85.336 1.609 1.00 1.00 ATOM 161 CA ARG 197 -31.733 88.136 3.581 1.00 1.00 ATOM 162 CA ARG 198 -29.220 85.631 4.984 1.00 1.00 ATOM 163 CA THR 199 -28.461 84.269 1.498 1.00 1.00 ATOM 164 CA HIS 200 -28.086 87.848 0.192 1.00 1.00 ATOM 165 CA LEU 201 -25.123 88.331 2.520 1.00 1.00 ATOM 166 CA VAL 202 -23.274 85.283 1.247 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 19:06:29 2002 Date: Thu, 25 Jul 2002 19:06:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0145 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 18:39:04 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_507715_15397 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0145TS007_4 Current information on models submitted in prediction T0145TS007 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_4 PIN_507715_15397 6269-7633-6117 07/25/02 18:39:04 casp5@bialko.llnl.gov T0145TS007_1 PIN_511292_15396 6269-7633-6117 07/25/02 18:38:50 casp5@bialko.llnl.gov T0145TS007_5 PIN_499312_15394 6269-7633-6117 07/25/02 18:38:20 casp5@bialko.llnl.gov T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 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 T0145 MODEL_INDEX PIN CODE DATE E-mail T0145TS007_1 PIN_511292_15396 6269-7633-6117 07/25/02 18:38:50 casp5@bialko.llnl.gov T0145TS007_2 PIN_506889_15393 6269-7633-6117 07/25/02 18:38:06 casp5@bialko.llnl.gov T0145TS007_3 PIN_489210_15392 6269-7633-6117 07/25/02 18:37:19 casp5@bialko.llnl.gov T0145TS007_4 PIN_507715_15397 6269-7633-6117 07/25/02 18:39:04 casp5@bialko.llnl.gov T0145TS007_5 PIN_499312_15394 6269-7633-6117 07/25/02 18:38:20 casp5@bialko.llnl.gov T0145SS007_1 PIN_122424_11336 6269-7633-6117 07/02/02 10:00:58 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 T0145 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1FGT_A # Loading PARENT structure: 1fgt (chain: A) # Number of residues in PARENT structure: 816 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 7 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 9 # IMPORTANT NOTE! Not complete main chain atoms for residue S 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue R 12 # IMPORTANT NOTE! Not complete main chain atoms for residue F 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue E 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue I 20 # IMPORTANT NOTE! Not complete main chain atoms for residue N 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0145 # Total number of residues in target: 216 # Total number of residues in model: 20 # Total number of atoms in model: 20 # Number of atoms with 1.0 occupancy: 20 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 20 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0145 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1FGT_A ATOM 177 CA LYS 7 43.107 56.323 22.327 1.00 1.00 ATOM 178 CA ARG 8 44.779 57.578 19.151 1.00 1.00 ATOM 179 CA GLN 9 44.433 56.551 15.521 1.00 1.00 ATOM 180 CA SER 10 47.581 54.424 15.497 1.00 1.00 ATOM 181 CA ASP 11 46.970 52.729 18.854 1.00 1.00 ATOM 182 CA ARG 12 46.322 48.971 18.873 1.00 1.00 ATOM 183 CA PHE 13 44.877 48.825 22.363 1.00 1.00 ATOM 184 CA TYR 14 41.832 46.652 22.999 1.00 1.00 ATOM 185 CA ASP 15 39.804 47.265 26.164 1.00 1.00 ATOM 186 CA GLU 16 36.211 47.555 27.422 1.00 1.00 ATOM 187 CA ASP 17 33.858 50.349 28.408 1.00 1.00 ATOM 188 CA VAL 18 30.100 50.835 28.848 1.00 1.00 ATOM 189 CA PHE 19 27.737 52.565 26.417 1.00 1.00 ATOM 190 CA ILE 20 28.036 56.015 28.000 1.00 1.00 ATOM 191 CA ASN 21 28.957 57.715 24.729 1.00 1.00 ATOM 192 CA GLY 22 25.529 57.887 23.078 1.00 1.00 ATOM 193 CA GLU 23 24.044 60.863 24.863 1.00 1.00 ATOM 194 CA GLY 24 25.205 64.415 24.153 1.00 1.00 ATOM 195 CA LEU 25 24.231 66.187 27.404 1.00 1.00 ATOM 196 CA GLU 26 26.682 69.051 26.835 1.00 1.00 TER END ################################ # # # END # # # ################################