From mailer@bialko.llnl.gov Thu Aug 15 06:52:08 2002 Date: Thu, 15 Aug 2002 06:52:02 -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 Thu Aug 15 06:24:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_370791_24590 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0184SS007_1 Current information on models submitted in prediction T0184SS007 MODEL_INDEX PIN CODE DATE E-mail T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 MODEL_INDEX PIN CODE DATE E-mail T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 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: 240 # Number of residues with nonzero confidence: 240 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0184 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-32048.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-20710//target-align-20710.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 219.218 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-32048.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc46.27708/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: Wed Aug 14 01:55:59 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-20710//target-align-20710.a2m METHOD METHOD guide seq name: seed-seqs-32048.a2m(1), 240 bases, 31037B46 checksum. METHOD ###end 0 MODEL 1 M C 0.517 N C 0.544 E C 0.421 S H 0.45 E H 0.523 R H 0.526 K H 0.521 I H 0.481 V H 0.619 E H 0.665 E H 0.679 F H 0.705 Q H 0.722 K H 0.713 E H 0.689 T H 0.614 G C 0.579 I C 0.549 N C 0.518 F C 0.485 K C 0.516 N C 0.553 E H 0.614 E H 0.64 L H 0.665 L H 0.653 F H 0.657 R H 0.656 A H 0.636 L H 0.576 C C 0.427 H C 0.561 S C 0.55 S C 0.554 Y C 0.512 A C 0.529 N C 0.523 E C 0.535 Q C 0.547 N C 0.575 Q C 0.552 A C 0.52 G C 0.509 R C 0.497 K C 0.512 D C 0.488 V C 0.494 E C 0.515 S C 0.531 N H 0.559 E H 0.607 K H 0.639 L H 0.659 E H 0.682 F H 0.676 L H 0.659 G H 0.613 D H 0.636 A H 0.659 V H 0.666 L H 0.67 E H 0.665 L H 0.659 F H 0.647 V H 0.642 C H 0.653 E H 0.665 I H 0.657 L H 0.644 Y H 0.624 K H 0.571 K H 0.516 Y C 0.596 P C 0.637 E C 0.618 A C 0.625 E C 0.668 V C 0.53 G C 0.476 D H 0.498 L H 0.631 A H 0.658 R H 0.683 V H 0.678 K H 0.678 S H 0.667 A H 0.634 A H 0.554 A H 0.478 S C 0.461 E H 0.584 E H 0.622 V H 0.642 L H 0.699 A H 0.7 M H 0.705 V H 0.702 S H 0.698 R H 0.689 K H 0.682 M H 0.617 N C 0.497 L C 0.501 G C 0.504 K H 0.438 F H 0.441 L H 0.423 F H 0.399 L C 0.378 G C 0.565 K C 0.585 G C 0.593 E C 0.509 E C 0.486 K C 0.455 T C 0.5 G C 0.533 G C 0.513 R C 0.504 D C 0.521 R C 0.541 D H 0.453 S H 0.578 I H 0.617 L H 0.684 A H 0.727 D H 0.75 A H 0.759 F H 0.776 E H 0.8 A H 0.785 L H 0.769 L H 0.738 A H 0.695 A H 0.67 I H 0.65 Y H 0.616 L H 0.542 D H 0.455 Q C 0.499 G C 0.636 Y H 0.583 E H 0.675 K H 0.699 I H 0.705 K H 0.72 E H 0.725 L H 0.716 F H 0.708 E H 0.694 Q H 0.673 E H 0.598 F H 0.473 E C 0.497 F C 0.492 Y H 0.493 I H 0.506 E H 0.51 K H 0.5 I H 0.446 M C 0.431 K C 0.48 G C 0.534 E C 0.517 M C 0.515 L C 0.539 F C 0.57 D C 0.644 Y H 0.605 K H 0.677 T H 0.695 A H 0.705 L H 0.733 Q H 0.742 E H 0.746 I H 0.725 V H 0.713 Q H 0.675 S H 0.641 E H 0.538 H C 0.61 K C 0.627 V C 0.606 P C 0.639 P C 0.562 E C 0.392 Y E 0.487 I E 0.539 L E 0.539 V E 0.487 R E 0.392 T C 0.486 E C 0.593 K C 0.717 N C 0.69 D C 0.677 G C 0.659 D C 0.656 R C 0.536 I E 0.529 F E 0.647 V E 0.671 V E 0.673 E E 0.677 V E 0.676 R E 0.638 V E 0.547 N C 0.58 G C 0.601 K C 0.402 T E 0.51 I E 0.491 A C 0.404 T C 0.518 G C 0.622 K C 0.652 G C 0.695 R C 0.656 T C 0.633 K H 0.692 K H 0.726 E H 0.765 A H 0.792 E H 0.812 K H 0.823 E H 0.833 A H 0.851 A H 0.843 R H 0.849 I H 0.838 A H 0.83 Y H 0.822 E H 0.798 K H 0.774 L H 0.677 L C 0.666 K C 0.709 E C 0.812 R C 0.886 S C 0.857 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 14:13:08 2002 Date: Tue, 20 Aug 2002 14:13:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0184 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 Tue Aug 20 13:45:00 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_589558_29269 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0184TS007_1 Current information on models submitted in prediction T0184TS007 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0184 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1JFZ_A # Loading PARENT structure: 1jfz (chain: A) # Number of residues in PARENT structure: 147 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue E 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue I 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue H 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue N 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue M 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue D 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue F 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue T 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0184 # Total number of residues in target: 240 # Total number of residues in model: 145 # Total number of atoms in model: 145 # Number of atoms with 1.0 occupancy: 145 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 145 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0184 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1JFZ_A ATOM 1 CA ARG 6 -3.188 -19.295 -2.504 1.00 1.00 ATOM 2 CA LYS 7 -5.079 -17.805 -5.437 1.00 1.00 ATOM 3 CA ILE 8 -3.923 -14.350 -4.414 1.00 1.00 ATOM 4 CA VAL 9 -0.967 -14.127 -2.134 1.00 1.00 ATOM 5 CA GLU 10 1.434 -15.187 -4.910 1.00 1.00 ATOM 6 CA GLU 11 0.617 -11.981 -6.749 1.00 1.00 ATOM 7 CA PHE 12 1.309 -9.623 -3.830 1.00 1.00 ATOM 8 CA GLN 13 4.610 -11.469 -3.378 1.00 1.00 ATOM 9 CA LYS 14 5.686 -10.866 -6.985 1.00 1.00 ATOM 10 CA GLU 15 4.971 -7.179 -6.607 1.00 1.00 ATOM 11 CA THR 16 6.642 -7.308 -3.205 1.00 1.00 ATOM 12 CA GLY 17 9.588 -9.037 -4.852 1.00 1.00 ATOM 13 CA ILE 18 9.578 -11.564 -2.076 1.00 1.00 ATOM 14 CA ASN 19 8.045 -15.003 -1.549 1.00 1.00 ATOM 15 CA PHE 20 7.430 -16.089 2.057 1.00 1.00 ATOM 16 CA LYS 21 8.585 -19.229 3.824 1.00 1.00 ATOM 17 CA ASN 22 5.698 -18.977 6.280 1.00 1.00 ATOM 18 CA GLU 23 2.540 -18.048 4.377 1.00 1.00 ATOM 19 CA GLU 24 0.445 -17.491 7.515 1.00 1.00 ATOM 20 CA LEU 25 3.037 -14.834 8.482 1.00 1.00 ATOM 21 CA LEU 26 2.097 -12.806 5.409 1.00 1.00 ATOM 22 CA PHE 27 -1.611 -13.400 5.926 1.00 1.00 ATOM 23 CA ARG 28 -1.492 -12.187 9.526 1.00 1.00 ATOM 24 CA ALA 29 -0.042 -8.872 8.357 1.00 1.00 ATOM 25 CA LEU 30 -2.912 -8.303 5.889 1.00 1.00 ATOM 26 CA CYS 31 -5.680 -9.371 8.287 1.00 1.00 ATOM 27 CA HIS 32 -7.700 -6.844 10.312 1.00 1.00 ATOM 28 CA SER 33 -8.896 -7.817 13.798 1.00 1.00 ATOM 29 CA SER 34 -12.442 -7.762 12.426 1.00 1.00 ATOM 30 CA TYR 35 -11.448 -10.780 10.330 1.00 1.00 ATOM 31 CA ALA 36 -9.513 -12.756 12.936 1.00 1.00 ATOM 32 CA ASN 37 -9.463 -11.651 16.567 1.00 1.00 ATOM 33 CA GLU 38 -6.853 -14.374 17.105 1.00 1.00 ATOM 34 CA GLN 39 -4.354 -13.666 14.297 1.00 1.00 ATOM 35 CA SER 49 -4.369 -10.092 13.011 1.00 1.00 ATOM 36 CA ASN 50 -1.746 -7.476 12.188 1.00 1.00 ATOM 37 CA GLU 51 -1.682 -5.349 15.377 1.00 1.00 ATOM 38 CA LYS 52 1.512 -6.831 16.781 1.00 1.00 ATOM 39 CA LEU 53 3.375 -6.863 13.460 1.00 1.00 ATOM 40 CA GLU 54 2.294 -3.272 12.845 1.00 1.00 ATOM 41 CA PHE 55 3.902 -2.417 16.170 1.00 1.00 ATOM 42 CA LEU 56 7.184 -3.898 14.977 1.00 1.00 ATOM 43 CA GLY 57 6.993 -2.661 11.381 1.00 1.00 ATOM 44 CA ASP 58 6.405 0.833 12.705 1.00 1.00 ATOM 45 CA ALA 59 9.887 0.936 14.235 1.00 1.00 ATOM 46 CA VAL 60 11.424 -1.045 11.350 1.00 1.00 ATOM 47 CA LEU 61 10.143 1.212 8.565 1.00 1.00 ATOM 48 CA GLU 62 10.831 4.340 10.554 1.00 1.00 ATOM 49 CA LEU 63 14.428 3.086 10.659 1.00 1.00 ATOM 50 CA PHE 64 14.649 2.305 6.932 1.00 1.00 ATOM 51 CA VAL 65 13.517 5.790 6.098 1.00 1.00 ATOM 52 CA CYS 66 15.668 7.782 8.507 1.00 1.00 ATOM 53 CA GLU 67 18.674 5.825 7.188 1.00 1.00 ATOM 54 CA ILE 68 17.921 6.968 3.648 1.00 1.00 ATOM 55 CA LEU 69 17.204 10.385 5.111 1.00 1.00 ATOM 56 CA TYR 70 20.532 10.547 6.940 1.00 1.00 ATOM 57 CA LYS 71 22.478 9.034 4.018 1.00 1.00 ATOM 58 CA LYS 72 20.982 11.497 1.565 1.00 1.00 ATOM 59 CA TYR 73 19.597 14.916 2.154 1.00 1.00 ATOM 60 CA PRO 74 22.167 17.601 1.267 1.00 1.00 ATOM 61 CA GLU 75 21.392 19.317 4.589 1.00 1.00 ATOM 62 CA ALA 76 22.255 17.430 7.776 1.00 1.00 ATOM 63 CA GLU 77 21.029 19.576 10.662 1.00 1.00 ATOM 64 CA VAL 78 18.196 17.915 12.628 1.00 1.00 ATOM 65 CA GLY 79 16.288 21.162 12.008 1.00 1.00 ATOM 66 CA ASP 80 16.021 20.111 8.371 1.00 1.00 ATOM 67 CA LEU 81 15.598 16.377 8.978 1.00 1.00 ATOM 68 CA ALA 82 12.524 16.490 11.195 1.00 1.00 ATOM 69 CA ARG 83 10.184 18.101 8.618 1.00 1.00 ATOM 70 CA VAL 84 10.636 15.832 5.577 1.00 1.00 ATOM 71 CA LYS 85 10.757 12.974 8.074 1.00 1.00 ATOM 72 CA SER 86 7.335 13.907 9.429 1.00 1.00 ATOM 73 CA ALA 87 6.177 13.683 5.846 1.00 1.00 ATOM 74 CA ALA 88 8.035 10.490 4.932 1.00 1.00 ATOM 75 CA ALA 89 6.452 8.638 7.814 1.00 1.00 ATOM 76 CA SER 90 3.122 10.404 7.303 1.00 1.00 ATOM 77 CA GLU 91 0.116 8.179 6.602 1.00 1.00 ATOM 78 CA GLU 92 -0.187 10.074 3.328 1.00 1.00 ATOM 79 CA VAL 93 3.251 9.014 2.152 1.00 1.00 ATOM 80 CA LEU 94 2.854 5.442 3.392 1.00 1.00 ATOM 81 CA ALA 95 -0.293 5.225 1.301 1.00 1.00 ATOM 82 CA MET 96 1.755 6.445 -1.686 1.00 1.00 ATOM 83 CA VAL 97 4.221 3.552 -1.359 1.00 1.00 ATOM 84 CA SER 98 1.410 1.130 -0.578 1.00 1.00 ATOM 85 CA ARG 99 -0.189 1.950 -3.925 1.00 1.00 ATOM 86 CA LYS 100 2.887 0.442 -5.608 1.00 1.00 ATOM 87 CA MET 101 1.686 -2.917 -4.315 1.00 1.00 ATOM 88 CA ASN 102 -2.045 -2.421 -4.546 1.00 1.00 ATOM 89 CA LEU 103 -2.327 -3.417 -0.873 1.00 1.00 ATOM 90 CA GLY 104 -6.014 -2.496 -0.503 1.00 1.00 ATOM 91 CA LYS 105 -6.669 -5.539 -2.666 1.00 1.00 ATOM 92 CA PHE 106 -5.037 -8.026 -0.322 1.00 1.00 ATOM 93 CA LEU 107 -6.222 -6.823 3.067 1.00 1.00 ATOM 94 CA PHE 108 -8.455 -9.178 5.010 1.00 1.00 ATOM 95 CA LEU 109 -11.362 -7.322 6.593 1.00 1.00 ATOM 96 CA GLY 110 -14.956 -7.821 7.694 1.00 1.00 ATOM 97 CA LYS 111 -17.921 -5.654 8.597 1.00 1.00 ATOM 98 CA GLY 112 -16.437 -2.382 7.334 1.00 1.00 ATOM 99 CA ARG 119 -14.194 -0.850 4.672 1.00 1.00 ATOM 100 CA ASP 120 -10.466 -0.411 4.234 1.00 1.00 ATOM 101 CA ARG 121 -8.993 3.015 5.030 1.00 1.00 ATOM 102 CA ASP 122 -5.849 5.010 4.382 1.00 1.00 ATOM 103 CA SER 123 -5.057 4.583 8.073 1.00 1.00 ATOM 104 CA ILE 124 -5.579 0.808 7.922 1.00 1.00 ATOM 105 CA LEU 125 -3.643 0.577 4.641 1.00 1.00 ATOM 106 CA ALA 126 -0.984 2.558 6.522 1.00 1.00 ATOM 107 CA ASP 127 -0.948 0.024 9.372 1.00 1.00 ATOM 108 CA ALA 128 -0.974 -3.055 7.142 1.00 1.00 ATOM 109 CA PHE 129 1.987 -1.557 5.322 1.00 1.00 ATOM 110 CA GLU 130 4.025 -1.428 8.538 1.00 1.00 ATOM 111 CA ALA 131 2.783 -4.945 9.215 1.00 1.00 ATOM 112 CA LEU 132 3.924 -6.363 5.887 1.00 1.00 ATOM 113 CA LEU 133 7.495 -5.153 6.396 1.00 1.00 ATOM 114 CA ALA 134 7.618 -6.570 9.923 1.00 1.00 ATOM 115 CA ALA 135 6.538 -9.964 8.608 1.00 1.00 ATOM 116 CA ILE 136 9.051 -9.753 5.752 1.00 1.00 ATOM 117 CA TYR 137 11.709 -8.938 8.358 1.00 1.00 ATOM 118 CA LEU 138 10.631 -11.919 10.444 1.00 1.00 ATOM 119 CA ASP 139 9.920 -14.353 7.622 1.00 1.00 ATOM 120 CA GLN 140 13.447 -13.711 6.322 1.00 1.00 ATOM 121 CA GLY 141 14.749 -14.745 9.734 1.00 1.00 ATOM 122 CA TYR 142 14.871 -11.278 11.214 1.00 1.00 ATOM 123 CA GLU 143 17.189 -10.124 8.417 1.00 1.00 ATOM 124 CA LYS 144 17.198 -6.341 8.706 1.00 1.00 ATOM 125 CA ILE 145 19.797 -5.774 5.947 1.00 1.00 ATOM 126 CA LYS 146 17.932 -7.768 3.278 1.00 1.00 ATOM 127 CA GLU 147 14.598 -6.374 4.332 1.00 1.00 ATOM 128 CA LEU 148 15.932 -2.802 4.088 1.00 1.00 ATOM 129 CA PHE 149 17.294 -3.486 0.614 1.00 1.00 ATOM 130 CA GLU 150 14.007 -5.061 -0.510 1.00 1.00 ATOM 131 CA GLN 151 12.483 -1.811 0.755 1.00 1.00 ATOM 132 CA GLU 152 14.957 0.360 -1.168 1.00 1.00 ATOM 133 CA PHE 153 14.525 -1.623 -4.386 1.00 1.00 ATOM 134 CA GLU 154 10.832 -0.800 -4.189 1.00 1.00 ATOM 135 CA PHE 155 10.802 2.644 -2.654 1.00 1.00 ATOM 136 CA TYR 156 14.233 4.259 -2.605 1.00 1.00 ATOM 137 CA PHE 167 13.232 5.976 -5.827 1.00 1.00 ATOM 138 CA ASP 168 10.167 7.751 -4.485 1.00 1.00 ATOM 139 CA TYR 169 11.694 8.600 -1.129 1.00 1.00 ATOM 140 CA LYS 170 14.596 10.251 -2.948 1.00 1.00 ATOM 141 CA THR 171 12.363 12.208 -5.271 1.00 1.00 ATOM 142 CA ALA 172 10.362 13.188 -2.205 1.00 1.00 ATOM 143 CA LEU 173 13.209 14.840 -0.285 1.00 1.00 ATOM 144 CA GLN 174 13.863 17.390 -3.049 1.00 1.00 ATOM 145 CA GLU 175 10.345 18.872 -2.535 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 14:15:29 2002 Date: Tue, 20 Aug 2002 14:15:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0184 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 Tue Aug 20 13:47:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_612966_29277 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0184TS007_2 Current information on models submitted in prediction T0184TS007 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_2 PIN_612966_29277 6269-7633-6117 08/20/02 13:47:34 casp5@bialko.llnl.gov T0184TS007_4 PIN_592923_29271 6269-7633-6117 08/20/02 13:45:41 casp5@bialko.llnl.gov T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0184 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_2 PIN_612966_29277 6269-7633-6117 08/20/02 13:47:34 casp5@bialko.llnl.gov T0184TS007_4 PIN_592923_29271 6269-7633-6117 08/20/02 13:45:41 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1I4S_A # Loading PARENT structure: 1i4s (chain: A) # Number of residues in PARENT structure: 147 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue E 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue I 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue H 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue N 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue M 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue D 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue F 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue T 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0184 # Total number of residues in target: 240 # Total number of residues in model: 145 # Total number of atoms in model: 145 # Number of atoms with 1.0 occupancy: 145 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 145 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0184 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1I4S_A ATOM 1 CA ARG 6 34.779 -29.818 -10.428 1.00 1.00 ATOM 2 CA LYS 7 31.111 -30.720 -10.346 1.00 1.00 ATOM 3 CA ILE 8 30.495 -27.121 -11.414 1.00 1.00 ATOM 4 CA VAL 9 32.883 -26.548 -14.373 1.00 1.00 ATOM 5 CA GLU 10 30.654 -23.676 -15.646 1.00 1.00 ATOM 6 CA GLU 11 29.085 -25.937 -18.274 1.00 1.00 ATOM 7 CA PHE 12 25.967 -23.996 -17.336 1.00 1.00 ATOM 8 CA GLN 13 26.921 -21.554 -20.041 1.00 1.00 ATOM 9 CA LYS 14 26.257 -24.241 -22.613 1.00 1.00 ATOM 10 CA GLU 15 22.867 -24.925 -21.077 1.00 1.00 ATOM 11 CA THR 16 22.498 -21.163 -20.890 1.00 1.00 ATOM 12 CA GLY 17 23.588 -20.430 -24.477 1.00 1.00 ATOM 13 CA ILE 18 25.969 -17.721 -23.205 1.00 1.00 ATOM 14 CA ASN 19 29.651 -17.540 -22.228 1.00 1.00 ATOM 15 CA PHE 20 30.641 -15.146 -19.423 1.00 1.00 ATOM 16 CA LYS 21 33.358 -12.533 -19.819 1.00 1.00 ATOM 17 CA ASN 22 34.137 -12.136 -16.154 1.00 1.00 ATOM 18 CA GLU 23 33.690 -15.571 -14.597 1.00 1.00 ATOM 19 CA GLU 24 33.524 -14.083 -11.081 1.00 1.00 ATOM 20 CA LEU 25 30.021 -12.752 -11.863 1.00 1.00 ATOM 21 CA LEU 26 28.559 -16.167 -12.667 1.00 1.00 ATOM 22 CA PHE 27 30.124 -17.503 -9.471 1.00 1.00 ATOM 23 CA ARG 28 28.734 -14.700 -7.353 1.00 1.00 ATOM 24 CA ALA 29 25.243 -15.445 -8.685 1.00 1.00 ATOM 25 CA LEU 30 25.584 -19.140 -7.861 1.00 1.00 ATOM 26 CA CYS 31 27.059 -18.638 -4.432 1.00 1.00 ATOM 27 CA HIS 32 24.943 -18.698 -1.314 1.00 1.00 ATOM 28 CA SER 33 25.873 -16.581 1.707 1.00 1.00 ATOM 29 CA SER 34 26.346 -19.774 3.762 1.00 1.00 ATOM 30 CA TYR 35 29.160 -20.712 1.414 1.00 1.00 ATOM 31 CA ALA 36 30.526 -17.160 1.280 1.00 1.00 ATOM 32 CA ASN 37 29.490 -14.237 3.439 1.00 1.00 ATOM 33 CA GLU 38 31.667 -11.850 1.473 1.00 1.00 ATOM 34 CA GLN 39 30.699 -12.755 -2.091 1.00 1.00 ATOM 35 CA SER 49 27.208 -14.177 -2.550 1.00 1.00 ATOM 36 CA ASN 50 24.193 -13.658 -4.826 1.00 1.00 ATOM 37 CA GLU 51 22.186 -11.280 -2.625 1.00 1.00 ATOM 38 CA LYS 52 22.643 -8.051 -4.610 1.00 1.00 ATOM 39 CA LEU 53 22.518 -9.814 -7.961 1.00 1.00 ATOM 40 CA GLU 54 19.250 -11.388 -6.835 1.00 1.00 ATOM 41 CA PHE 55 17.828 -7.934 -6.078 1.00 1.00 ATOM 42 CA LEU 56 18.631 -6.660 -9.584 1.00 1.00 ATOM 43 CA GLY 57 17.571 -9.991 -11.126 1.00 1.00 ATOM 44 CA ASP 58 14.088 -9.825 -9.565 1.00 1.00 ATOM 45 CA ALA 59 13.300 -6.531 -11.245 1.00 1.00 ATOM 46 CA VAL 60 15.046 -7.458 -14.515 1.00 1.00 ATOM 47 CA LEU 61 13.290 -10.789 -14.905 1.00 1.00 ATOM 48 CA GLU 62 10.003 -9.226 -13.805 1.00 1.00 ATOM 49 CA LEU 63 10.415 -6.835 -16.719 1.00 1.00 ATOM 50 CA PHE 64 11.227 -9.662 -19.158 1.00 1.00 ATOM 51 CA VAL 65 8.094 -11.532 -18.118 1.00 1.00 ATOM 52 CA CYS 66 5.722 -8.531 -17.948 1.00 1.00 ATOM 53 CA GLU 67 6.906 -7.517 -21.439 1.00 1.00 ATOM 54 CA ILE 68 6.186 -10.932 -22.855 1.00 1.00 ATOM 55 CA LEU 69 2.901 -11.326 -20.990 1.00 1.00 ATOM 56 CA TYR 70 1.469 -8.057 -22.309 1.00 1.00 ATOM 57 CA LYS 71 2.277 -9.151 -25.877 1.00 1.00 ATOM 58 CA LYS 72 0.973 -12.720 -25.844 1.00 1.00 ATOM 59 CA TYR 73 -1.920 -12.651 -23.364 1.00 1.00 ATOM 60 CA PRO 74 -5.329 -13.430 -24.850 1.00 1.00 ATOM 61 CA GLU 75 -6.696 -10.515 -22.852 1.00 1.00 ATOM 62 CA ALA 76 -5.014 -7.218 -21.939 1.00 1.00 ATOM 63 CA GLU 77 -6.930 -6.342 -18.769 1.00 1.00 ATOM 64 CA VAL 78 -5.027 -5.802 -15.540 1.00 1.00 ATOM 65 CA GLY 79 -7.574 -8.130 -13.957 1.00 1.00 ATOM 66 CA ASP 80 -6.466 -11.009 -16.209 1.00 1.00 ATOM 67 CA LEU 81 -2.783 -10.045 -16.295 1.00 1.00 ATOM 68 CA ALA 82 -1.923 -9.542 -12.613 1.00 1.00 ATOM 69 CA ARG 83 -2.812 -13.035 -11.302 1.00 1.00 ATOM 70 CA VAL 84 -1.123 -14.564 -14.347 1.00 1.00 ATOM 71 CA LYS 85 1.810 -12.231 -13.732 1.00 1.00 ATOM 72 CA SER 86 1.718 -13.426 -10.120 1.00 1.00 ATOM 73 CA ALA 87 2.206 -17.020 -11.233 1.00 1.00 ATOM 74 CA ALA 88 4.824 -16.315 -13.923 1.00 1.00 ATOM 75 CA ALA 89 7.212 -14.680 -11.437 1.00 1.00 ATOM 76 CA SER 90 6.624 -17.204 -8.687 1.00 1.00 ATOM 77 CA GLU 91 9.145 -19.568 -7.090 1.00 1.00 ATOM 78 CA GLU 92 7.352 -22.552 -8.564 1.00 1.00 ATOM 79 CA VAL 93 7.538 -21.192 -12.104 1.00 1.00 ATOM 80 CA LEU 94 11.132 -20.008 -11.739 1.00 1.00 ATOM 81 CA ALA 95 11.934 -23.482 -10.497 1.00 1.00 ATOM 82 CA MET 96 10.300 -24.958 -13.614 1.00 1.00 ATOM 83 CA VAL 97 12.475 -22.711 -15.788 1.00 1.00 ATOM 84 CA SER 98 15.641 -23.330 -13.790 1.00 1.00 ATOM 85 CA ARG 99 15.322 -27.121 -14.393 1.00 1.00 ATOM 86 CA LYS 100 16.285 -26.624 -18.023 1.00 1.00 ATOM 87 CA MET 101 19.517 -25.128 -16.679 1.00 1.00 ATOM 88 CA ASN 102 19.502 -27.383 -13.589 1.00 1.00 ATOM 89 CA LEU 103 21.022 -24.641 -11.392 1.00 1.00 ATOM 90 CA GLY 104 21.060 -26.991 -8.395 1.00 1.00 ATOM 91 CA LYS 105 24.252 -28.542 -9.826 1.00 1.00 ATOM 92 CA PHE 106 26.172 -25.299 -9.920 1.00 1.00 ATOM 93 CA LEU 107 25.058 -23.472 -6.767 1.00 1.00 ATOM 94 CA PHE 108 27.527 -23.356 -3.871 1.00 1.00 ATOM 95 CA LEU 109 25.966 -23.502 -0.423 1.00 1.00 ATOM 96 CA GLY 110 26.978 -24.655 3.077 1.00 1.00 ATOM 97 CA LYS 111 24.512 -25.637 5.805 1.00 1.00 ATOM 98 CA GLY 112 22.159 -28.276 4.371 1.00 1.00 ATOM 99 CA GLU 113 19.350 -25.914 3.334 1.00 1.00 ATOM 100 CA GLU 114 19.346 -25.746 -0.463 1.00 1.00 ATOM 101 CA ARG 121 15.477 -25.254 -0.805 1.00 1.00 ATOM 102 CA ASP 122 13.457 -24.340 -3.868 1.00 1.00 ATOM 103 CA SER 123 13.382 -20.690 -2.870 1.00 1.00 ATOM 104 CA ILE 124 17.192 -20.621 -3.114 1.00 1.00 ATOM 105 CA LEU 125 17.126 -21.972 -6.698 1.00 1.00 ATOM 106 CA ALA 126 14.740 -19.123 -7.497 1.00 1.00 ATOM 107 CA ASP 127 17.088 -16.652 -5.793 1.00 1.00 ATOM 108 CA ALA 128 19.997 -17.905 -7.882 1.00 1.00 ATOM 109 CA PHE 129 17.914 -18.022 -11.021 1.00 1.00 ATOM 110 CA GLU 130 17.133 -14.348 -10.526 1.00 1.00 ATOM 111 CA ALA 131 20.767 -13.600 -9.655 1.00 1.00 ATOM 112 CA LEU 132 21.965 -15.488 -12.742 1.00 1.00 ATOM 113 CA LEU 133 20.023 -13.211 -15.116 1.00 1.00 ATOM 114 CA ALA 134 21.307 -10.155 -13.314 1.00 1.00 ATOM 115 CA ALA 135 24.767 -11.633 -13.854 1.00 1.00 ATOM 116 CA ILE 136 24.193 -12.123 -17.558 1.00 1.00 ATOM 117 CA TYR 137 22.880 -8.550 -17.833 1.00 1.00 ATOM 118 CA LEU 138 25.906 -6.999 -16.184 1.00 1.00 ATOM 119 CA ASP 139 28.434 -9.304 -17.853 1.00 1.00 ATOM 120 CA GLN 140 26.758 -8.323 -21.151 1.00 1.00 ATOM 121 CA GLY 141 27.577 -4.666 -20.568 1.00 1.00 ATOM 122 CA TYR 142 24.186 -4.012 -19.073 1.00 1.00 ATOM 123 CA GLU 143 22.539 -4.716 -22.451 1.00 1.00 ATOM 124 CA LYS 144 18.884 -5.396 -21.655 1.00 1.00 ATOM 125 CA ILE 145 17.759 -6.147 -25.209 1.00 1.00 ATOM 126 CA LYS 146 20.357 -8.906 -25.637 1.00 1.00 ATOM 127 CA GLU 147 19.670 -10.275 -22.185 1.00 1.00 ATOM 128 CA LEU 148 15.955 -9.975 -22.778 1.00 1.00 ATOM 129 CA PHE 149 16.200 -11.874 -26.053 1.00 1.00 ATOM 130 CA GLU 150 18.435 -14.494 -24.451 1.00 1.00 ATOM 131 CA GLN 151 15.824 -15.089 -21.752 1.00 1.00 ATOM 132 CA GLU 152 13.210 -15.386 -24.513 1.00 1.00 ATOM 133 CA PHE 153 15.110 -17.968 -26.530 1.00 1.00 ATOM 134 CA GLU 154 15.299 -20.237 -23.501 1.00 1.00 ATOM 135 CA PHE 155 11.930 -19.676 -21.791 1.00 1.00 ATOM 136 CA TYR 156 9.424 -17.971 -24.114 1.00 1.00 ATOM 137 CA PHE 167 8.111 -21.407 -25.077 1.00 1.00 ATOM 138 CA ASP 168 7.383 -22.352 -21.454 1.00 1.00 ATOM 139 CA TYR 169 5.875 -18.949 -20.713 1.00 1.00 ATOM 140 CA LYS 170 3.499 -18.930 -23.665 1.00 1.00 ATOM 141 CA THR 171 2.405 -22.398 -22.606 1.00 1.00 ATOM 142 CA ALA 172 1.621 -21.256 -19.072 1.00 1.00 ATOM 143 CA LEU 173 -0.174 -18.313 -20.651 1.00 1.00 ATOM 144 CA GLN 174 -2.037 -20.847 -22.765 1.00 1.00 ATOM 145 CA GLU 175 -3.137 -22.721 -19.652 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 14:17:29 2002 Date: Tue, 20 Aug 2002 14:17:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0184 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 Tue Aug 20 13:49:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_631735_29283 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0184TS007_3 Current information on models submitted in prediction T0184TS007 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_3 PIN_631735_29283 6269-7633-6117 08/20/02 13:49:29 casp5@bialko.llnl.gov T0184TS007_2 PIN_612966_29277 6269-7633-6117 08/20/02 13:47:34 casp5@bialko.llnl.gov T0184TS007_4 PIN_592923_29271 6269-7633-6117 08/20/02 13:45:41 casp5@bialko.llnl.gov T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0184 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_2 PIN_612966_29277 6269-7633-6117 08/20/02 13:47:34 casp5@bialko.llnl.gov T0184TS007_3 PIN_631735_29283 6269-7633-6117 08/20/02 13:49:29 casp5@bialko.llnl.gov T0184TS007_4 PIN_592923_29271 6269-7633-6117 08/20/02 13:45:41 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1JFZ_B # Loading PARENT structure: 1jfz (chain: B) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue E 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue I 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue H 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue N 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue M 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue D 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue F 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0184 # Total number of residues in target: 240 # Total number of residues in model: 134 # Total number of atoms in model: 134 # Number of atoms with 1.0 occupancy: 134 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 134 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0184 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1JFZ_B ATOM 201 CA ARG 6 46.100 3.910 30.898 1.00 1.00 ATOM 202 CA LYS 7 43.681 3.981 27.947 1.00 1.00 ATOM 203 CA ILE 8 42.202 7.448 28.529 1.00 1.00 ATOM 204 CA VAL 9 41.005 8.519 25.054 1.00 1.00 ATOM 205 CA GLU 10 39.119 5.203 24.832 1.00 1.00 ATOM 206 CA GLU 11 38.668 1.700 26.259 1.00 1.00 ATOM 207 CA PHE 12 35.131 1.986 24.939 1.00 1.00 ATOM 208 CA GLN 13 35.727 -0.322 21.979 1.00 1.00 ATOM 209 CA LYS 14 36.625 -3.221 24.281 1.00 1.00 ATOM 210 CA GLU 15 33.442 -2.495 26.192 1.00 1.00 ATOM 211 CA THR 16 31.349 -2.562 22.996 1.00 1.00 ATOM 212 CA GLY 17 33.278 -5.570 21.720 1.00 1.00 ATOM 213 CA ILE 18 33.830 -3.709 18.451 1.00 1.00 ATOM 214 CA ASN 19 36.842 -2.002 16.894 1.00 1.00 ATOM 215 CA PHE 20 36.025 0.851 14.523 1.00 1.00 ATOM 216 CA LYS 21 37.562 0.947 11.040 1.00 1.00 ATOM 217 CA ASN 22 37.345 4.737 11.112 1.00 1.00 ATOM 218 CA GLU 23 38.104 6.226 14.526 1.00 1.00 ATOM 219 CA GLU 24 36.723 9.674 13.734 1.00 1.00 ATOM 220 CA LEU 25 33.295 8.061 13.355 1.00 1.00 ATOM 221 CA LEU 26 33.431 6.989 16.972 1.00 1.00 ATOM 222 CA PHE 27 35.047 10.321 17.796 1.00 1.00 ATOM 223 CA ARG 28 32.141 12.142 16.116 1.00 1.00 ATOM 224 CA ALA 29 29.520 10.269 18.174 1.00 1.00 ATOM 225 CA LEU 30 31.110 11.210 21.510 1.00 1.00 ATOM 226 CA CYS 31 31.610 14.863 20.494 1.00 1.00 ATOM 227 CA HIS 32 29.189 17.626 21.485 1.00 1.00 ATOM 228 CA SER 33 28.918 20.952 19.589 1.00 1.00 ATOM 229 CA SER 34 30.558 22.848 22.500 1.00 1.00 ATOM 230 CA TYR 35 33.774 20.905 21.838 1.00 1.00 ATOM 231 CA ALA 36 33.549 20.628 18.016 1.00 1.00 ATOM 232 CA ASN 37 31.310 22.573 15.631 1.00 1.00 ATOM 233 CA GLU 38 32.851 20.706 12.678 1.00 1.00 ATOM 234 CA GLU 48 31.743 17.187 13.624 1.00 1.00 ATOM 235 CA SER 49 29.535 16.677 16.687 1.00 1.00 ATOM 236 CA ASN 50 27.162 13.753 17.250 1.00 1.00 ATOM 237 CA GLU 51 24.043 15.588 16.032 1.00 1.00 ATOM 238 CA LYS 52 23.400 13.709 12.818 1.00 1.00 ATOM 239 CA LEU 53 24.372 10.280 14.159 1.00 1.00 ATOM 240 CA GLU 54 22.056 10.579 17.168 1.00 1.00 ATOM 241 CA PHE 55 19.267 11.371 14.682 1.00 1.00 ATOM 242 CA LEU 56 20.047 8.061 12.994 1.00 1.00 ATOM 243 CA GLY 57 20.723 6.382 16.359 1.00 1.00 ATOM 244 CA ASP 58 17.273 7.358 17.633 1.00 1.00 ATOM 245 CA ALA 59 15.579 5.302 14.921 1.00 1.00 ATOM 246 CA VAL 60 18.197 2.541 15.161 1.00 1.00 ATOM 247 CA LEU 61 17.944 1.801 18.854 1.00 1.00 ATOM 248 CA GLU 62 14.169 2.346 18.705 1.00 1.00 ATOM 249 CA LEU 63 13.867 -0.706 16.426 1.00 1.00 ATOM 250 CA PHE 64 16.328 -2.832 18.412 1.00 1.00 ATOM 251 CA VAL 65 14.285 -2.362 21.557 1.00 1.00 ATOM 252 CA CYS 66 10.865 -2.768 19.966 1.00 1.00 ATOM 253 CA GLU 67 11.921 -5.998 18.220 1.00 1.00 ATOM 254 CA ILE 68 12.861 -7.419 21.615 1.00 1.00 ATOM 255 CA LEU 69 9.699 -6.052 23.235 1.00 1.00 ATOM 256 CA TYR 70 7.527 -7.716 20.600 1.00 1.00 ATOM 257 CA LYS 71 9.009 -11.173 20.988 1.00 1.00 ATOM 258 CA LYS 72 9.567 -11.210 24.752 1.00 1.00 ATOM 259 CA TYR 73 6.664 -9.331 26.341 1.00 1.00 ATOM 260 CA PRO 74 3.888 -11.585 27.607 1.00 1.00 ATOM 261 CA GLU 75 1.156 -9.324 26.213 1.00 1.00 ATOM 262 CA ALA 76 1.398 -8.811 22.447 1.00 1.00 ATOM 263 CA GLU 77 -1.347 -6.173 22.472 1.00 1.00 ATOM 264 CA VAL 78 -0.549 -2.589 21.468 1.00 1.00 ATOM 265 CA GLY 79 -2.248 -1.433 24.647 1.00 1.00 ATOM 266 CA ASP 80 0.293 -3.113 26.953 1.00 1.00 ATOM 267 CA LEU 81 3.349 -2.740 24.728 1.00 1.00 ATOM 268 CA ALA 82 3.257 1.043 24.460 1.00 1.00 ATOM 269 CA ARG 83 3.718 2.138 28.104 1.00 1.00 ATOM 270 CA VAL 84 6.642 -0.318 28.405 1.00 1.00 ATOM 271 CA LYS 85 8.110 0.968 25.146 1.00 1.00 ATOM 272 CA SER 86 8.205 4.584 26.289 1.00 1.00 ATOM 273 CA ALA 87 10.250 3.421 29.266 1.00 1.00 ATOM 274 CA ALA 88 12.757 1.335 27.325 1.00 1.00 ATOM 275 CA ALA 89 13.541 4.258 25.030 1.00 1.00 ATOM 276 CA SER 90 13.676 6.967 27.696 1.00 1.00 ATOM 277 CA GLU 91 16.777 9.024 28.560 1.00 1.00 ATOM 278 CA GLU 92 16.603 7.607 32.092 1.00 1.00 ATOM 279 CA VAL 93 16.856 4.003 30.977 1.00 1.00 ATOM 280 CA LEU 94 19.179 4.945 28.136 1.00 1.00 ATOM 281 CA ALA 95 21.476 6.325 30.830 1.00 1.00 ATOM 282 CA MET 96 21.374 3.039 32.736 1.00 1.00 ATOM 283 CA VAL 97 22.502 1.437 29.500 1.00 1.00 ATOM 284 CA SER 98 25.286 3.964 29.061 1.00 1.00 ATOM 285 CA ARG 99 26.537 3.629 32.651 1.00 1.00 ATOM 286 CA LYS 100 27.637 0.136 31.588 1.00 1.00 ATOM 287 CA MET 101 29.879 1.901 29.099 1.00 1.00 ATOM 288 CA ASN 102 31.155 4.673 31.317 1.00 1.00 ATOM 289 CA LEU 103 30.018 6.797 28.391 1.00 1.00 ATOM 290 CA GLY 104 30.364 10.077 30.306 1.00 1.00 ATOM 291 CA LYS 105 34.066 9.234 30.499 1.00 1.00 ATOM 292 CA PHE 106 34.495 9.299 26.726 1.00 1.00 ATOM 293 CA LEU 107 32.358 12.298 25.793 1.00 1.00 ATOM 294 CA PHE 108 34.344 15.217 24.314 1.00 1.00 ATOM 295 CA LEU 109 32.381 18.049 25.872 1.00 1.00 ATOM 296 CA GLY 110 33.333 21.590 26.878 1.00 1.00 ATOM 297 CA LYS 111 32.576 23.500 30.083 1.00 1.00 ATOM 298 CA GLY 112 31.018 22.044 33.217 1.00 1.00 ATOM 299 CA GLU 113 27.472 20.952 32.379 1.00 1.00 ATOM 300 CA GLU 114 27.281 17.648 30.470 1.00 1.00 ATOM 301 CA LYS 115 23.869 16.472 31.625 1.00 1.00 ATOM 302 CA ASP 122 21.483 13.492 31.186 1.00 1.00 ATOM 303 CA SER 123 20.249 14.600 27.768 1.00 1.00 ATOM 304 CA ILE 124 23.637 14.692 26.047 1.00 1.00 ATOM 305 CA LEU 125 24.521 11.227 27.376 1.00 1.00 ATOM 306 CA ALA 126 21.492 9.207 26.259 1.00 1.00 ATOM 307 CA ASP 127 21.912 11.202 23.048 1.00 1.00 ATOM 308 CA ALA 128 25.556 10.163 22.822 1.00 1.00 ATOM 309 CA PHE 129 24.260 6.725 23.679 1.00 1.00 ATOM 310 CA GLU 130 22.021 7.056 20.629 1.00 1.00 ATOM 311 CA ALA 131 24.704 8.488 18.381 1.00 1.00 ATOM 312 CA LEU 132 27.080 5.774 19.567 1.00 1.00 ATOM 313 CA LEU 133 25.084 2.820 18.225 1.00 1.00 ATOM 314 CA ALA 134 24.557 4.734 14.980 1.00 1.00 ATOM 315 CA ALA 135 28.311 5.140 14.570 1.00 1.00 ATOM 316 CA ILE 136 28.765 1.367 15.009 1.00 1.00 ATOM 317 CA TYR 137 26.000 0.802 12.471 1.00 1.00 ATOM 318 CA LEU 138 27.686 2.948 9.871 1.00 1.00 ATOM 319 CA ASP 139 31.274 1.896 10.602 1.00 1.00 ATOM 320 CA GLN 140 30.071 -1.670 10.151 1.00 1.00 ATOM 321 CA GLY 141 29.127 -1.023 6.529 1.00 1.00 ATOM 324 CA TYR 142 21.918 -3.728 10.906 1.00 1.00 ATOM 325 CA GLU 143 21.973 -7.354 12.025 1.00 1.00 ATOM 326 CA LYS 144 25.498 -7.409 13.416 1.00 1.00 ATOM 327 CA ILE 145 24.910 -4.072 15.102 1.00 1.00 ATOM 328 CA LYS 146 21.641 -5.438 16.485 1.00 1.00 ATOM 329 CA GLU 147 23.363 -8.460 18.027 1.00 1.00 ATOM 330 CA LEU 148 26.218 -6.351 19.330 1.00 1.00 ATOM 331 CA PHE 149 23.612 -4.209 21.006 1.00 1.00 ATOM 332 CA GLU 150 21.831 -7.239 22.460 1.00 1.00 ATOM 333 CA GLN 151 25.015 -8.883 23.742 1.00 1.00 ATOM 334 CA GLU 152 25.350 -5.885 26.043 1.00 1.00 ATOM 335 CA PHE 153 21.779 -5.012 27.032 1.00 1.00 ATOM 336 CA GLU 154 19.484 -7.874 26.016 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 14:13:29 2002 Date: Tue, 20 Aug 2002 14:13:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0184 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 Tue Aug 20 13:45:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_592923_29271 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0184TS007_4 Current information on models submitted in prediction T0184TS007 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_4 PIN_592923_29271 6269-7633-6117 08/20/02 13:45:41 casp5@bialko.llnl.gov T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0184 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_1 PIN_589558_29269 6269-7633-6117 08/20/02 13:45:00 casp5@bialko.llnl.gov T0184TS007_4 PIN_592923_29271 6269-7633-6117 08/20/02 13:45:41 casp5@bialko.llnl.gov T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1JFZ_C # Loading PARENT structure: 1jfz (chain: C) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue E 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue I 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue H 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue N 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue M 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue D 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue F 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0184 # Total number of residues in target: 240 # Total number of residues in model: 134 # Total number of atoms in model: 134 # Number of atoms with 1.0 occupancy: 134 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 134 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0184 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JFZ_C ATOM 401 CA ARG 6 8.459 54.723 59.906 1.00 1.00 ATOM 402 CA LYS 7 12.191 54.012 60.225 1.00 1.00 ATOM 403 CA ILE 8 11.090 50.387 60.039 1.00 1.00 ATOM 404 CA VAL 9 10.550 50.556 56.296 1.00 1.00 ATOM 405 CA GLU 10 14.081 51.840 55.740 1.00 1.00 ATOM 406 CA GLU 11 15.329 48.683 57.456 1.00 1.00 ATOM 407 CA PHE 12 13.271 46.558 55.052 1.00 1.00 ATOM 408 CA GLN 13 14.565 48.569 52.115 1.00 1.00 ATOM 409 CA LYS 14 18.174 47.847 53.059 1.00 1.00 ATOM 410 CA GLU 15 17.383 44.160 53.489 1.00 1.00 ATOM 411 CA THR 16 15.581 44.138 50.143 1.00 1.00 ATOM 412 CA GLY 17 18.267 45.981 48.223 1.00 1.00 ATOM 413 CA ILE 18 15.644 48.493 47.189 1.00 1.00 ATOM 414 CA ASN 19 14.462 51.905 48.384 1.00 1.00 ATOM 415 CA PHE 20 10.914 52.947 47.356 1.00 1.00 ATOM 416 CA LYS 21 10.026 56.038 45.390 1.00 1.00 ATOM 417 CA ASN 22 6.573 55.788 46.927 1.00 1.00 ATOM 418 CA GLU 23 6.664 54.870 50.618 1.00 1.00 ATOM 419 CA GLU 24 2.945 54.194 51.121 1.00 1.00 ATOM 420 CA LEU 25 3.164 51.593 48.340 1.00 1.00 ATOM 421 CA LEU 26 5.523 49.647 50.597 1.00 1.00 ATOM 422 CA PHE 27 3.445 50.302 53.701 1.00 1.00 ATOM 423 CA ARG 28 0.412 48.985 51.833 1.00 1.00 ATOM 424 CA ALA 29 1.846 45.590 50.913 1.00 1.00 ATOM 425 CA LEU 30 2.797 45.353 54.620 1.00 1.00 ATOM 426 CA CYS 31 -0.675 46.212 55.906 1.00 1.00 ATOM 427 CA HIS 32 -3.289 43.569 56.755 1.00 1.00 ATOM 428 CA SER 33 -6.902 44.705 56.221 1.00 1.00 ATOM 429 CA SER 34 -7.343 44.803 59.993 1.00 1.00 ATOM 430 CA TYR 35 -4.899 47.732 60.182 1.00 1.00 ATOM 431 CA ALA 36 -6.474 49.669 57.289 1.00 1.00 ATOM 432 CA ASN 37 -9.647 48.536 55.580 1.00 1.00 ATOM 433 CA GLU 38 -9.167 51.034 52.740 1.00 1.00 ATOM 434 CA GLU 48 -5.463 50.462 52.104 1.00 1.00 ATOM 435 CA SER 49 -4.234 46.903 52.655 1.00 1.00 ATOM 436 CA ASN 50 -2.172 44.366 50.673 1.00 1.00 ATOM 437 CA GLU 51 -4.944 42.093 49.252 1.00 1.00 ATOM 438 CA LYS 52 -4.762 43.541 45.735 1.00 1.00 ATOM 439 CA LEU 53 -0.974 43.752 45.541 1.00 1.00 ATOM 440 CA GLU 54 -1.095 40.174 46.748 1.00 1.00 ATOM 441 CA PHE 55 -3.225 39.199 43.721 1.00 1.00 ATOM 442 CA LEU 56 -0.530 40.657 41.496 1.00 1.00 ATOM 443 CA GLY 57 2.416 39.456 43.591 1.00 1.00 ATOM 444 CA ASP 58 0.898 36.009 43.194 1.00 1.00 ATOM 445 CA ALA 59 1.243 36.053 39.406 1.00 1.00 ATOM 446 CA VAL 60 4.587 37.838 39.244 1.00 1.00 ATOM 447 CA LEU 61 6.402 35.600 41.736 1.00 1.00 ATOM 448 CA GLU 62 5.118 32.442 40.120 1.00 1.00 ATOM 449 CA LEU 63 6.691 33.703 36.887 1.00 1.00 ATOM 450 CA PHE 64 10.008 34.570 38.581 1.00 1.00 ATOM 451 CA VAL 65 10.381 31.023 39.902 1.00 1.00 ATOM 452 CA CYS 66 8.972 29.200 36.879 1.00 1.00 ATOM 453 CA GLU 67 11.562 31.040 34.782 1.00 1.00 ATOM 454 CA ILE 68 14.342 30.044 37.167 1.00 1.00 ATOM 455 CA LEU 69 13.013 26.462 37.351 1.00 1.00 ATOM 456 CA TYR 70 12.730 25.867 33.607 1.00 1.00 ATOM 457 CA LYS 71 16.258 27.156 33.242 1.00 1.00 ATOM 458 CA LYS 72 18.054 25.404 36.064 1.00 1.00 ATOM 459 CA TYR 73 16.022 22.207 36.433 1.00 1.00 ATOM 460 CA PRO 74 18.193 19.142 35.747 1.00 1.00 ATOM 461 CA GLU 75 15.468 17.876 33.435 1.00 1.00 ATOM 462 CA ALA 76 12.561 19.709 31.828 1.00 1.00 ATOM 463 CA GLU 77 9.841 17.087 32.262 1.00 1.00 ATOM 464 CA VAL 78 6.357 18.430 33.028 1.00 1.00 ATOM 465 CA GLY 79 5.633 15.613 35.475 1.00 1.00 ATOM 466 CA ASP 80 8.793 16.669 37.295 1.00 1.00 ATOM 467 CA LEU 81 8.537 20.442 36.851 1.00 1.00 ATOM 468 CA ALA 82 5.158 20.581 38.602 1.00 1.00 ATOM 469 CA ARG 83 6.274 18.819 41.825 1.00 1.00 ATOM 470 CA VAL 84 9.219 21.185 42.160 1.00 1.00 ATOM 471 CA LYS 85 6.926 24.074 41.204 1.00 1.00 ATOM 472 CA SER 86 4.413 23.122 43.894 1.00 1.00 ATOM 473 CA ALA 87 6.970 23.282 46.671 1.00 1.00 ATOM 474 CA ALA 88 8.683 26.416 45.322 1.00 1.00 ATOM 475 CA ALA 89 5.484 28.467 45.384 1.00 1.00 ATOM 476 CA SER 90 4.206 26.799 48.576 1.00 1.00 ATOM 477 CA GLU 91 3.538 28.766 51.778 1.00 1.00 ATOM 478 CA GLU 92 6.363 26.900 53.513 1.00 1.00 ATOM 479 CA VAL 93 8.815 28.017 50.827 1.00 1.00 ATOM 480 CA LEU 94 7.605 31.615 50.589 1.00 1.00 ATOM 481 CA ALA 95 8.114 31.644 54.355 1.00 1.00 ATOM 482 CA MET 96 11.707 30.454 53.907 1.00 1.00 ATOM 483 CA VAL 97 12.475 33.452 51.697 1.00 1.00 ATOM 484 CA SER 98 10.455 36.025 53.620 1.00 1.00 ATOM 485 CA ARG 99 12.556 34.972 56.632 1.00 1.00 ATOM 486 CA LYS 100 15.716 36.244 54.966 1.00 1.00 ATOM 487 CA MET 101 14.045 39.666 54.982 1.00 1.00 ATOM 488 CA ASN 102 12.572 39.001 58.431 1.00 1.00 ATOM 489 CA LEU 103 9.241 40.076 57.058 1.00 1.00 ATOM 490 CA GLY 104 7.606 39.243 60.395 1.00 1.00 ATOM 491 CA LYS 105 8.953 42.519 61.853 1.00 1.00 ATOM 492 CA PHE 106 7.432 45.047 59.507 1.00 1.00 ATOM 493 CA LEU 107 3.913 43.765 59.051 1.00 1.00 ATOM 494 CA PHE 108 1.162 46.091 60.243 1.00 1.00 ATOM 495 CA LEU 109 -1.781 44.214 61.770 1.00 1.00 ATOM 496 CA GLY 110 -4.513 44.746 64.375 1.00 1.00 ATOM 497 CA LYS 111 -6.395 42.572 66.839 1.00 1.00 ATOM 498 CA GLY 112 -4.357 39.416 66.583 1.00 1.00 ATOM 499 CA GLU 113 -1.424 37.331 65.514 1.00 1.00 ATOM 500 CA GLU 114 0.589 36.975 62.335 1.00 1.00 ATOM 501 CA LYS 115 0.956 33.540 60.748 1.00 1.00 ATOM 502 CA ASP 122 2.628 31.632 57.905 1.00 1.00 ATOM 503 CA SER 123 -0.032 32.435 55.316 1.00 1.00 ATOM 504 CA ILE 124 -0.163 36.117 56.210 1.00 1.00 ATOM 505 CA LEU 125 3.606 36.278 55.960 1.00 1.00 ATOM 506 CA ALA 126 3.260 34.456 52.638 1.00 1.00 ATOM 507 CA ASP 127 0.572 36.842 51.357 1.00 1.00 ATOM 508 CA ALA 128 2.566 39.886 52.425 1.00 1.00 ATOM 509 CA PHE 129 5.555 38.381 50.639 1.00 1.00 ATOM 510 CA GLU 130 3.749 38.269 47.283 1.00 1.00 ATOM 511 CA ALA 131 2.499 41.834 47.708 1.00 1.00 ATOM 512 CA LEU 132 5.953 43.178 48.539 1.00 1.00 ATOM 513 CA LEU 133 7.100 42.077 45.116 1.00 1.00 ATOM 514 CA ALA 134 4.007 43.497 43.463 1.00 1.00 ATOM 515 CA ALA 135 4.954 46.744 45.194 1.00 1.00 ATOM 516 CA ILE 136 8.589 46.609 44.103 1.00 1.00 ATOM 517 CA TYR 137 7.198 45.779 40.657 1.00 1.00 ATOM 518 CA LEU 138 4.879 48.769 40.562 1.00 1.00 ATOM 519 CA ASP 139 7.163 51.236 42.350 1.00 1.00 ATOM 520 CA GLN 140 10.034 50.580 39.956 1.00 1.00 ATOM 521 CA GLY 141 7.906 51.692 36.976 1.00 1.00 ATOM 524 CA TYR 142 9.571 43.259 35.475 1.00 1.00 ATOM 525 CA GLU 143 13.188 42.642 34.527 1.00 1.00 ATOM 526 CA LYS 144 14.574 44.769 37.362 1.00 1.00 ATOM 527 CA ILE 145 12.200 43.244 39.919 1.00 1.00 ATOM 528 CA LYS 146 13.009 39.741 38.667 1.00 1.00 ATOM 529 CA GLU 147 16.752 40.355 38.855 1.00 1.00 ATOM 530 CA LEU 148 16.240 41.756 42.357 1.00 1.00 ATOM 531 CA PHE 149 14.253 38.663 43.389 1.00 1.00 ATOM 532 CA GLU 150 16.968 36.408 41.987 1.00 1.00 ATOM 533 CA GLN 151 19.740 38.394 43.669 1.00 1.00 ATOM 534 CA GLU 152 18.119 37.630 47.048 1.00 1.00 ATOM 535 CA PHE 153 16.783 34.117 46.404 1.00 1.00 ATOM 536 CA GLU 154 18.323 32.501 43.302 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 14:12:29 2002 Date: Tue, 20 Aug 2002 14:12:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0184 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 Tue Aug 20 13:44:42 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_583020_29268 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0184TS007_5 Current information on models submitted in prediction T0184TS007 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0184 MODEL_INDEX PIN CODE DATE E-mail T0184TS007_5 PIN_583020_29268 6269-7633-6117 08/20/02 13:44:42 casp5@bialko.llnl.gov T0184SS007_1 PIN_370791_24590 6269-7633-6117 08/15/02 06:24:06 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 T0184 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1JFZ_D # Loading PARENT structure: 1jfz (chain: D) # Number of residues in PARENT structure: 148 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue R 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue E 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue I 18 # IMPORTANT NOTE! Not complete main chain atoms for residue N 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue K 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue C 31 # IMPORTANT NOTE! Not complete main chain atoms for residue H 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue N 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue N 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue D 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue A 87 # IMPORTANT NOTE! Not complete main chain atoms for residue A 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue M 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 105 # IMPORTANT NOTE! Not complete main chain atoms for residue F 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 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 L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue E 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue D 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue E 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue F 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue E 152 # IMPORTANT NOTE! Not complete main chain atoms for residue F 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0184 # Total number of residues in target: 240 # Total number of residues in model: 134 # Total number of atoms in model: 134 # Number of atoms with 1.0 occupancy: 134 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 134 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0184 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1JFZ_D ATOM 601 CA ARG 6 2.550 35.418 -0.252 1.00 1.00 ATOM 602 CA LYS 7 4.232 34.173 2.965 1.00 1.00 ATOM 603 CA ILE 8 2.197 31.244 4.310 1.00 1.00 ATOM 604 CA VAL 9 5.080 30.218 6.551 1.00 1.00 ATOM 605 CA GLU 10 6.587 31.861 9.621 1.00 1.00 ATOM 606 CA GLU 11 4.950 35.200 8.703 1.00 1.00 ATOM 607 CA PHE 12 3.504 35.071 12.207 1.00 1.00 ATOM 608 CA GLN 13 6.424 37.316 13.072 1.00 1.00 ATOM 609 CA LYS 14 4.721 40.008 10.996 1.00 1.00 ATOM 610 CA GLU 15 1.381 39.669 12.737 1.00 1.00 ATOM 611 CA THR 16 3.248 39.211 16.015 1.00 1.00 ATOM 612 CA GLY 17 5.254 42.370 15.370 1.00 1.00 ATOM 613 CA ILE 18 8.462 40.646 16.411 1.00 1.00 ATOM 614 CA ASN 19 11.266 39.106 14.375 1.00 1.00 ATOM 615 CA PHE 20 12.867 36.037 15.916 1.00 1.00 ATOM 616 CA LYS 21 16.644 35.937 16.250 1.00 1.00 ATOM 617 CA ASN 22 16.550 32.174 16.734 1.00 1.00 ATOM 618 CA GLU 23 13.760 30.882 14.472 1.00 1.00 ATOM 619 CA GLU 24 14.167 27.409 15.961 1.00 1.00 ATOM 620 CA LEU 25 12.587 28.799 19.121 1.00 1.00 ATOM 621 CA LEU 26 9.540 29.873 17.156 1.00 1.00 ATOM 622 CA PHE 27 9.510 26.448 15.482 1.00 1.00 ATOM 623 CA ARG 28 9.726 24.653 18.841 1.00 1.00 ATOM 624 CA ALA 29 6.760 26.669 20.109 1.00 1.00 ATOM 625 CA LEU 30 4.819 25.706 16.996 1.00 1.00 ATOM 626 CA CYS 31 5.890 22.079 17.164 1.00 1.00 ATOM 627 CA HIS 32 3.718 19.332 18.597 1.00 1.00 ATOM 628 CA SER 33 5.004 16.033 19.987 1.00 1.00 ATOM 629 CA SER 34 3.465 14.066 17.127 1.00 1.00 ATOM 630 CA TYR 35 5.384 16.055 14.530 1.00 1.00 ATOM 631 CA ALA 36 8.509 15.871 16.683 1.00 1.00 ATOM 632 CA ASN 37 9.388 13.919 19.840 1.00 1.00 ATOM 633 CA GLU 38 12.625 15.831 20.319 1.00 1.00 ATOM 634 CA GLU 48 11.753 19.493 19.816 1.00 1.00 ATOM 635 CA SER 49 8.195 20.428 20.787 1.00 1.00 ATOM 636 CA ASN 50 6.401 23.104 22.850 1.00 1.00 ATOM 637 CA GLU 51 5.901 21.309 26.185 1.00 1.00 ATOM 638 CA LYS 52 8.724 22.994 28.123 1.00 1.00 ATOM 639 CA LEU 53 7.965 26.303 26.432 1.00 1.00 ATOM 640 CA GLU 54 4.275 25.990 27.396 1.00 1.00 ATOM 641 CA PHE 55 5.337 25.514 31.007 1.00 1.00 ATOM 642 CA LEU 56 7.047 28.889 31.172 1.00 1.00 ATOM 643 CA GLY 57 4.439 30.468 28.880 1.00 1.00 ATOM 644 CA ASP 58 1.594 29.683 31.259 1.00 1.00 ATOM 645 CA ALA 59 3.354 31.560 34.074 1.00 1.00 ATOM 646 CA VAL 60 4.316 34.331 31.651 1.00 1.00 ATOM 647 CA LEU 61 0.997 35.010 30.047 1.00 1.00 ATOM 648 CA GLU 62 -0.732 34.660 33.435 1.00 1.00 ATOM 649 CA LEU 63 1.291 37.577 34.779 1.00 1.00 ATOM 650 CA PHE 64 0.585 39.699 31.694 1.00 1.00 ATOM 651 CA VAL 65 -3.144 39.157 32.256 1.00 1.00 ATOM 652 CA CYS 66 -3.030 39.538 36.020 1.00 1.00 ATOM 653 CA GLU 67 -1.258 42.886 35.665 1.00 1.00 ATOM 654 CA ILE 68 -3.864 44.252 33.253 1.00 1.00 ATOM 655 CA LEU 69 -6.741 43.072 35.465 1.00 1.00 ATOM 656 CA TYR 70 -5.497 44.751 38.632 1.00 1.00 ATOM 657 CA LYS 71 -5.323 48.045 36.723 1.00 1.00 ATOM 658 CA LYS 72 -8.425 47.909 34.510 1.00 1.00 ATOM 659 CA TYR 73 -10.944 46.302 36.857 1.00 1.00 ATOM 660 CA PRO 74 -13.683 48.196 38.731 1.00 1.00 ATOM 661 CA GLU 75 -13.229 46.232 41.941 1.00 1.00 ATOM 662 CA ALA 76 -9.710 45.480 43.163 1.00 1.00 ATOM 663 CA GLU 77 -10.705 42.704 45.618 1.00 1.00 ATOM 664 CA VAL 78 -9.596 39.079 45.209 1.00 1.00 ATOM 665 CA GLY 79 -13.228 37.980 45.088 1.00 1.00 ATOM 666 CA ASP 80 -14.358 40.082 42.133 1.00 1.00 ATOM 667 CA LEU 81 -10.936 39.660 40.502 1.00 1.00 ATOM 668 CA ALA 82 -10.600 35.858 40.571 1.00 1.00 ATOM 669 CA ARG 83 -13.699 35.008 38.470 1.00 1.00 ATOM 670 CA VAL 84 -12.705 37.393 35.652 1.00 1.00 ATOM 671 CA LYS 85 -9.158 36.102 36.011 1.00 1.00 ATOM 672 CA SER 86 -10.493 32.593 35.582 1.00 1.00 ATOM 673 CA ALA 87 -11.996 33.655 32.249 1.00 1.00 ATOM 674 CA ALA 88 -9.113 35.655 30.647 1.00 1.00 ATOM 675 CA ALA 89 -6.724 32.684 31.098 1.00 1.00 ATOM 676 CA SER 90 -9.116 30.022 29.824 1.00 1.00 ATOM 677 CA GLU 91 -8.811 27.734 26.807 1.00 1.00 ATOM 678 CA GLU 92 -11.774 29.661 25.424 1.00 1.00 ATOM 679 CA VAL 93 -10.214 33.139 25.745 1.00 1.00 ATOM 680 CA LEU 94 -6.777 31.798 24.796 1.00 1.00 ATOM 681 CA ALA 95 -8.148 30.383 21.541 1.00 1.00 ATOM 682 CA MET 96 -9.872 33.734 21.114 1.00 1.00 ATOM 683 CA VAL 97 -6.453 35.342 20.958 1.00 1.00 ATOM 684 CA SER 98 -4.805 32.689 18.819 1.00 1.00 ATOM 685 CA ARG 99 -7.242 33.248 15.944 1.00 1.00 ATOM 686 CA LYS 100 -5.933 36.812 15.938 1.00 1.00 ATOM 687 CA MET 101 -2.620 35.165 15.069 1.00 1.00 ATOM 688 CA ASN 102 -4.109 32.283 13.062 1.00 1.00 ATOM 689 CA LEU 103 -1.939 30.019 15.209 1.00 1.00 ATOM 690 CA GLY 104 -3.658 26.825 14.135 1.00 1.00 ATOM 691 CA LYS 105 -2.138 27.338 10.668 1.00 1.00 ATOM 692 CA PHE 106 1.452 27.749 11.927 1.00 1.00 ATOM 693 CA LEU 107 1.053 24.688 14.114 1.00 1.00 ATOM 694 CA PHE 108 3.198 21.723 13.088 1.00 1.00 ATOM 695 CA LEU 109 1.321 18.571 14.057 1.00 1.00 ATOM 696 CA GLY 110 0.411 15.244 12.451 1.00 1.00 ATOM 697 CA LYS 111 -2.663 15.797 10.300 1.00 1.00 ATOM 698 CA GLY 112 -6.121 15.709 11.824 1.00 1.00 ATOM 699 CA GLU 113 -5.959 16.125 15.582 1.00 1.00 ATOM 700 CA GLU 114 -5.385 19.682 16.595 1.00 1.00 ATOM 701 CA LYS 115 -7.825 21.183 19.181 1.00 1.00 ATOM 702 CA ASP 122 -8.464 24.194 21.297 1.00 1.00 ATOM 703 CA SER 123 -6.239 22.673 23.962 1.00 1.00 ATOM 704 CA ILE 124 -2.980 22.254 22.019 1.00 1.00 ATOM 705 CA LEU 125 -3.752 25.556 20.395 1.00 1.00 ATOM 706 CA ALA 126 -4.098 27.127 23.818 1.00 1.00 ATOM 707 CA ASP 127 -0.807 25.630 24.945 1.00 1.00 ATOM 708 CA ALA 128 0.942 26.708 21.756 1.00 1.00 ATOM 709 CA PHE 129 -0.486 30.146 22.475 1.00 1.00 ATOM 710 CA GLU 130 1.409 29.912 25.747 1.00 1.00 ATOM 711 CA ALA 131 4.478 28.307 24.129 1.00 1.00 ATOM 712 CA LEU 132 4.688 31.153 21.653 1.00 1.00 ATOM 713 CA LEU 133 4.805 34.006 24.162 1.00 1.00 ATOM 714 CA ALA 134 7.352 31.971 26.101 1.00 1.00 ATOM 715 CA ALA 135 9.298 31.563 22.888 1.00 1.00 ATOM 716 CA ILE 136 9.258 35.322 22.349 1.00 1.00 ATOM 717 CA TYR 137 10.260 35.966 25.966 1.00 1.00 ATOM 718 CA LEU 138 13.359 33.867 25.557 1.00 1.00 ATOM 719 CA ASP 139 14.266 35.211 22.087 1.00 1.00 ATOM 720 CA GLN 140 14.181 38.828 23.326 1.00 1.00 ATOM 721 CA GLY 141 16.921 37.911 25.864 1.00 1.00 ATOM 724 CA TYR 142 9.694 40.735 30.212 1.00 1.00 ATOM 725 CA GLU 143 8.644 44.387 29.667 1.00 1.00 ATOM 726 CA LYS 144 9.166 44.268 25.884 1.00 1.00 ATOM 727 CA ILE 145 7.416 40.888 25.514 1.00 1.00 ATOM 728 CA LYS 146 4.617 42.333 27.639 1.00 1.00 ATOM 729 CA GLU 147 4.138 45.377 25.491 1.00 1.00 ATOM 730 CA LEU 148 4.214 43.127 22.418 1.00 1.00 ATOM 731 CA PHE 149 1.431 41.095 23.987 1.00 1.00 ATOM 732 CA GLU 150 -0.476 44.178 25.094 1.00 1.00 ATOM 733 CA GLN 151 -0.336 45.744 21.635 1.00 1.00 ATOM 734 CA GLU 152 -2.174 42.720 20.289 1.00 1.00 ATOM 735 CA PHE 153 -4.623 41.757 23.008 1.00 1.00 ATOM 736 CA GLU 154 -4.861 44.541 25.603 1.00 1.00 TER END ################################ # # # END # # # ################################