From mailer@bialko.llnl.gov Fri Aug 16 06:13:18 2002 Date: Fri, 16 Aug 2002 06:13:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 16 05:45:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_583863_25736 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0189SS007_1 Current information on models submitted in prediction T0189SS007 MODEL_INDEX PIN CODE DATE E-mail T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 MODEL_INDEX PIN CODE DATE E-mail T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 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: 319 # Number of residues with nonzero confidence: 319 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0189 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-12594.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-22679//target-align-22679.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 129.335 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-12594.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc57.29897/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: Thu Aug 15 18:41:44 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-22679//target-align-22679.a2m METHOD METHOD guide seq name: seed-seqs-12594.a2m(1), 319 bases, EA6F679F checksum. METHOD ###end 0 MODEL 1 M C 0.718 V E 0.477 L E 0.622 T E 0.659 V E 0.647 T E 0.575 L E 0.442 N C 0.436 P E 0.391 A E 0.475 L E 0.494 D E 0.463 R E 0.524 E E 0.537 I E 0.534 F E 0.496 I C 0.402 E C 0.529 D C 0.553 F C 0.563 Q C 0.584 V C 0.605 N C 0.615 R C 0.576 L C 0.48 Y C 0.429 R C 0.418 I C 0.447 N C 0.47 D C 0.492 L C 0.543 S C 0.547 K C 0.496 T E 0.384 Q E 0.452 M E 0.464 S C 0.477 P C 0.599 G C 0.706 G C 0.65 K C 0.491 G H 0.547 I H 0.604 N H 0.615 V H 0.671 S H 0.691 I H 0.699 A H 0.698 L H 0.714 S H 0.701 K H 0.688 L H 0.604 G C 0.663 V C 0.679 P C 0.577 S E 0.49 V E 0.584 A E 0.613 T E 0.603 G E 0.554 F E 0.52 V E 0.438 G C 0.632 G C 0.661 Y C 0.6 M C 0.492 G H 0.519 K H 0.659 I H 0.684 L H 0.706 V H 0.74 E H 0.748 E H 0.746 L H 0.739 R H 0.725 K H 0.711 I H 0.553 S C 0.661 K C 0.805 L C 0.733 I C 0.514 T C 0.434 T E 0.471 N E 0.537 F E 0.562 V E 0.536 Y E 0.428 V C 0.543 E C 0.652 G C 0.654 E C 0.598 T C 0.536 R C 0.448 E E 0.48 N E 0.577 I E 0.641 E E 0.651 I E 0.629 I E 0.571 D E 0.415 E C 0.567 K C 0.659 N C 0.694 K C 0.697 T C 0.536 I E 0.481 T E 0.566 A E 0.616 I E 0.616 N E 0.556 F C 0.405 P C 0.577 G C 0.642 P C 0.607 D C 0.579 V C 0.504 T C 0.524 D H 0.483 M H 0.487 D H 0.528 V H 0.597 N H 0.639 H H 0.698 F H 0.707 L H 0.71 R H 0.71 R H 0.68 Y H 0.648 K H 0.71 M H 0.694 T H 0.669 L H 0.615 S H 0.535 K C 0.466 V C 0.574 D C 0.486 C E 0.583 V E 0.644 V E 0.646 I E 0.605 S E 0.455 G C 0.527 S C 0.567 I C 0.599 P C 0.65 P C 0.656 G C 0.655 V C 0.648 N C 0.631 E H 0.651 G H 0.691 I H 0.71 C H 0.74 N H 0.761 E H 0.766 L H 0.767 V H 0.771 R H 0.772 L H 0.759 A H 0.733 R H 0.708 E H 0.675 R H 0.485 G C 0.683 V C 0.614 F E 0.491 V E 0.671 F E 0.664 V E 0.604 E C 0.485 Q C 0.633 T C 0.655 P C 0.514 R C 0.445 L H 0.518 L H 0.547 E H 0.579 R H 0.584 I H 0.644 Y H 0.661 E H 0.646 G H 0.607 P H 0.527 E C 0.449 F C 0.531 P C 0.558 N C 0.465 V E 0.555 V E 0.576 K E 0.528 P E 0.422 D C 0.669 L H 0.616 R H 0.693 G H 0.715 N H 0.723 H H 0.644 A H 0.709 S H 0.688 F H 0.662 L H 0.599 G C 0.546 V C 0.563 D C 0.535 L C 0.54 K C 0.61 T C 0.642 F H 0.62 D H 0.654 D H 0.662 Y H 0.777 V H 0.792 K H 0.799 L H 0.795 A H 0.79 E H 0.785 K H 0.769 L H 0.748 A H 0.725 E H 0.668 K H 0.469 S C 0.641 Q C 0.578 V E 0.535 S E 0.703 V E 0.72 V E 0.693 S E 0.573 Y C 0.499 E C 0.663 V C 0.659 K C 0.631 N C 0.556 D E 0.443 I E 0.606 V E 0.619 A E 0.557 T C 0.414 R C 0.619 E C 0.645 G C 0.541 V E 0.441 W E 0.543 L E 0.565 I E 0.54 R E 0.462 S C 0.447 K C 0.507 E C 0.518 E C 0.451 I E 0.45 D E 0.511 T E 0.544 S E 0.477 H C 0.519 L C 0.547 L C 0.538 G C 0.629 A C 0.53 G H 0.457 D H 0.557 A H 0.638 Y H 0.66 V H 0.676 A H 0.681 G H 0.687 M H 0.686 V H 0.686 Y H 0.682 Y H 0.676 F H 0.668 I H 0.644 K H 0.572 H H 0.54 G C 0.634 A C 0.639 N C 0.608 F H 0.684 L H 0.721 E H 0.738 M H 0.739 A H 0.737 K H 0.739 F H 0.728 G H 0.717 F H 0.704 A H 0.708 S H 0.695 A H 0.678 L H 0.659 A H 0.634 A H 0.596 T H 0.563 R H 0.489 R C 0.419 K C 0.522 E C 0.629 K C 0.652 Y C 0.666 M C 0.659 P C 0.646 D C 0.644 L H 0.694 E H 0.735 A H 0.746 I H 0.765 K H 0.782 K H 0.781 E H 0.758 Y H 0.7 D H 0.593 H H 0.502 F H 0.371 T E 0.389 V E 0.474 E E 0.458 R E 0.453 V C 0.405 K C 0.635 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:45:08 2002 Date: Thu, 22 Aug 2002 13:45:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0189 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 13:16:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_317688_31448 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0189TS007_1 Current information on models submitted in prediction T0189TS007 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_1 PIN_317688_31448 6269-7633-6117 08/22/02 13:16:57 casp5@bialko.llnl.gov T0189TS007_4 PIN_253571_31431 6269-7633-6117 08/22/02 13:10:16 casp5@bialko.llnl.gov T0189TS007_5 PIN_244369_31429 6269-7633-6117 08/22/02 13:09:24 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 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 T0189 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_1 PIN_317688_31448 6269-7633-6117 08/22/02 13:16:57 casp5@bialko.llnl.gov T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_4 PIN_253571_31431 6269-7633-6117 08/22/02 13:10:16 casp5@bialko.llnl.gov T0189TS007_5 PIN_244369_31429 6269-7633-6117 08/22/02 13:09:24 casp5@bialko.llnl.gov T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1GQT_A # Loading PARENT structure: 1gqt (chain: A) # Number of residues in PARENT structure: 305 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue N 8 # IMPORTANT NOTE! Not complete main chain atoms for residue P 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue R 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue S 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue I 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue S 46 # IMPORTANT NOTE! Not complete main chain atoms for residue I 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue S 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue P 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue F 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue N 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue P 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue D 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue N 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue G 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue C 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue N 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue K 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue G 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue S 199 # IMPORTANT NOTE! Not complete main chain atoms for residue F 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue D 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue K 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue D 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue E 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue S 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue V 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue V 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue R 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue W 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue S 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue E 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue H 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue D 261 # IMPORTANT NOTE! Not complete main chain atoms for residue A 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # IMPORTANT NOTE! Not complete main chain atoms for residue A 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue M 267 # IMPORTANT NOTE! Not complete main chain atoms for residue V 268 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 269 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 270 # IMPORTANT NOTE! Not complete main chain atoms for residue F 271 # IMPORTANT NOTE! Not complete main chain atoms for residue I 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue N 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue E 280 # IMPORTANT NOTE! Not complete main chain atoms for residue M 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue A 287 # IMPORTANT NOTE! Not complete main chain atoms for residue S 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue T 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue K 296 # IMPORTANT NOTE! Not complete main chain atoms for residue E 297 # IMPORTANT NOTE! Not complete main chain atoms for residue K 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue P 301 # IMPORTANT NOTE! Not complete main chain atoms for residue D 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue E 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue I 306 # IMPORTANT NOTE! Not complete main chain atoms for residue K 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 310 # IMPORTANT NOTE! Not complete main chain atoms for residue D 311 # IMPORTANT NOTE! Not complete main chain atoms for residue H 312 # IMPORTANT NOTE! Not complete main chain atoms for residue F 313 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0189 # Total number of residues in target: 319 # Total number of residues in model: 298 # Total number of atoms in model: 298 # Number of atoms with 1.0 occupancy: 298 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 298 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0189 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1GQT_A ATOM 7 CA LEU 3 10.488 10.299 63.209 1.00 1.00 ATOM 8 CA THR 4 7.569 9.455 65.506 1.00 1.00 ATOM 9 CA VAL 5 8.467 8.004 68.918 1.00 1.00 ATOM 10 CA THR 6 5.662 6.513 71.009 1.00 1.00 ATOM 11 CA LEU 7 6.311 5.465 74.590 1.00 1.00 ATOM 12 CA ASN 8 6.317 6.301 78.260 1.00 1.00 ATOM 13 CA PRO 9 7.221 9.250 80.437 1.00 1.00 ATOM 14 CA ALA 10 8.386 8.744 84.021 1.00 1.00 ATOM 15 CA LEU 11 9.859 10.717 86.875 1.00 1.00 ATOM 16 CA ASP 12 12.884 8.637 87.985 1.00 1.00 ATOM 17 CA ARG 13 13.885 8.373 91.599 1.00 1.00 ATOM 18 CA GLU 14 17.426 6.981 91.768 1.00 1.00 ATOM 19 CA ILE 15 19.268 5.735 94.804 1.00 1.00 ATOM 20 CA PHE 16 22.886 4.549 94.616 1.00 1.00 ATOM 21 CA ILE 17 23.771 1.889 97.182 1.00 1.00 ATOM 22 CA GLU 18 26.465 -0.748 97.840 1.00 1.00 ATOM 23 CA ASP 19 24.249 -3.831 97.676 1.00 1.00 ATOM 24 CA PHE 20 20.581 -4.242 96.765 1.00 1.00 ATOM 25 CA GLN 21 18.507 -4.747 99.906 1.00 1.00 ATOM 26 CA VAL 22 17.354 -8.351 100.424 1.00 1.00 ATOM 27 CA ASN 23 13.797 -9.130 101.513 1.00 1.00 ATOM 28 CA ARG 24 12.995 -7.459 104.846 1.00 1.00 ATOM 29 CA LEU 25 16.238 -5.456 104.673 1.00 1.00 ATOM 30 CA TYR 26 16.984 -1.720 104.742 1.00 1.00 ATOM 31 CA ARG 27 20.048 -0.174 103.174 1.00 1.00 ATOM 32 CA ASP 30 21.231 3.444 103.156 1.00 1.00 ATOM 33 CA LEU 31 22.388 4.919 99.827 1.00 1.00 ATOM 34 CA SER 32 25.165 7.389 99.021 1.00 1.00 ATOM 35 CA LYS 33 23.591 9.484 96.263 1.00 1.00 ATOM 36 CA THR 34 19.976 10.176 95.393 1.00 1.00 ATOM 37 CA GLN 35 18.629 11.880 92.276 1.00 1.00 ATOM 38 CA MET 36 15.256 12.834 90.829 1.00 1.00 ATOM 39 CA SER 37 15.137 13.177 87.079 1.00 1.00 ATOM 40 CA PRO 38 13.012 12.706 83.971 1.00 1.00 ATOM 41 CA GLY 39 13.075 9.118 82.681 1.00 1.00 ATOM 42 CA GLY 40 10.808 6.670 80.875 1.00 1.00 ATOM 43 CA LYS 41 12.002 4.650 77.892 1.00 1.00 ATOM 44 CA GLY 42 9.930 6.566 75.338 1.00 1.00 ATOM 45 CA ILE 43 10.928 9.973 76.635 1.00 1.00 ATOM 46 CA ASN 44 14.571 8.969 76.928 1.00 1.00 ATOM 47 CA VAL 45 14.509 7.732 73.359 1.00 1.00 ATOM 48 CA SER 46 12.674 10.827 72.138 1.00 1.00 ATOM 49 CA ILE 47 15.278 13.009 73.839 1.00 1.00 ATOM 50 CA ALA 48 18.186 11.052 72.367 1.00 1.00 ATOM 51 CA LEU 49 16.619 11.541 68.923 1.00 1.00 ATOM 52 CA SER 50 15.842 15.209 69.488 1.00 1.00 ATOM 53 CA LYS 51 19.198 16.171 70.926 1.00 1.00 ATOM 54 CA LEU 52 20.875 14.133 68.160 1.00 1.00 ATOM 55 CA GLY 53 19.177 16.343 65.579 1.00 1.00 ATOM 56 CA VAL 54 16.171 14.342 64.359 1.00 1.00 ATOM 57 CA PRO 55 12.823 15.727 63.223 1.00 1.00 ATOM 58 CA SER 56 10.913 13.935 65.894 1.00 1.00 ATOM 59 CA VAL 57 7.406 13.972 67.298 1.00 1.00 ATOM 60 CA ALA 58 6.466 12.144 70.524 1.00 1.00 ATOM 61 CA THR 59 3.242 10.275 71.199 1.00 1.00 ATOM 62 CA GLY 60 2.778 9.838 74.961 1.00 1.00 ATOM 63 CA PHE 61 0.671 10.678 78.017 1.00 1.00 ATOM 64 CA VAL 62 1.373 12.554 81.192 1.00 1.00 ATOM 65 CA GLY 63 -0.913 12.895 84.164 1.00 1.00 ATOM 66 CA GLY 64 -2.604 16.190 85.070 1.00 1.00 ATOM 67 CA TYR 65 -0.193 16.948 87.885 1.00 1.00 ATOM 69 CA MET 66 5.426 16.934 87.489 1.00 1.00 ATOM 70 CA GLY 67 3.607 16.254 84.205 1.00 1.00 ATOM 71 CA LYS 68 3.700 19.944 83.609 1.00 1.00 ATOM 72 CA ILE 69 7.432 20.254 84.172 1.00 1.00 ATOM 73 CA LEU 70 8.318 17.305 81.931 1.00 1.00 ATOM 74 CA VAL 71 6.308 18.739 79.079 1.00 1.00 ATOM 75 CA GLU 72 8.174 22.038 79.266 1.00 1.00 ATOM 76 CA GLU 73 11.459 20.247 79.356 1.00 1.00 ATOM 77 CA LEU 74 10.628 18.007 76.421 1.00 1.00 ATOM 78 CA ARG 75 9.917 21.034 74.253 1.00 1.00 ATOM 79 CA LYS 76 13.422 22.320 74.808 1.00 1.00 ATOM 80 CA ILE 77 14.894 19.018 73.725 1.00 1.00 ATOM 81 CA SER 78 14.062 19.567 69.999 1.00 1.00 ATOM 82 CA LYS 79 10.904 17.447 70.218 1.00 1.00 ATOM 83 CA LEU 80 7.410 18.190 68.879 1.00 1.00 ATOM 84 CA ILE 81 5.178 17.449 71.906 1.00 1.00 ATOM 85 CA THR 82 1.915 18.227 70.106 1.00 1.00 ATOM 86 CA THR 83 0.847 14.561 70.407 1.00 1.00 ATOM 87 CA ASN 84 1.714 14.415 74.105 1.00 1.00 ATOM 88 CA PHE 85 -1.710 14.012 75.787 1.00 1.00 ATOM 89 CA VAL 86 -2.779 15.064 79.328 1.00 1.00 ATOM 90 CA TYR 87 -4.886 12.516 81.138 1.00 1.00 ATOM 91 CA VAL 88 -7.358 14.109 83.556 1.00 1.00 ATOM 92 CA GLU 89 -7.419 12.567 87.020 1.00 1.00 ATOM 93 CA GLY 90 -4.282 10.534 86.418 1.00 1.00 ATOM 94 CA GLU 91 -0.746 10.803 87.763 1.00 1.00 ATOM 95 CA THR 92 2.451 10.943 85.743 1.00 1.00 ATOM 96 CA ARG 93 4.411 7.674 85.681 1.00 1.00 ATOM 97 CA GLU 94 7.075 7.131 88.346 1.00 1.00 ATOM 98 CA ASN 95 10.129 4.830 88.376 1.00 1.00 ATOM 99 CA ILE 96 11.928 3.807 91.555 1.00 1.00 ATOM 100 CA GLU 97 15.503 2.722 90.778 1.00 1.00 ATOM 101 CA ILE 98 18.248 1.167 92.904 1.00 1.00 ATOM 102 CA ILE 99 21.773 1.038 91.477 1.00 1.00 ATOM 103 CA ASP 100 24.408 -1.150 93.153 1.00 1.00 ATOM 104 CA LYS 102 28.190 -0.891 93.549 1.00 1.00 ATOM 105 CA ASN 103 28.705 -2.652 90.231 1.00 1.00 ATOM 106 CA LYS 104 26.278 -0.487 88.337 1.00 1.00 ATOM 107 CA THR 105 23.510 -3.046 88.070 1.00 1.00 ATOM 108 CA ILE 106 20.043 -1.587 88.697 1.00 1.00 ATOM 109 CA THR 107 16.585 -2.892 89.478 1.00 1.00 ATOM 110 CA ALA 108 13.567 -0.811 88.533 1.00 1.00 ATOM 111 CA ILE 109 10.045 -0.580 89.882 1.00 1.00 ATOM 112 CA ASN 110 7.501 1.360 87.872 1.00 1.00 ATOM 113 CA PHE 111 4.209 3.010 88.611 1.00 1.00 ATOM 114 CA PRO 112 2.535 3.230 85.222 1.00 1.00 ATOM 115 CA GLY 113 0.150 6.093 85.954 1.00 1.00 ATOM 116 CA PRO 114 -0.906 7.890 82.786 1.00 1.00 ATOM 117 CA ASP 115 1.305 5.696 80.557 1.00 1.00 ATOM 118 CA VAL 116 -1.351 2.990 80.855 1.00 1.00 ATOM 119 CA THR 117 -3.811 5.468 79.332 1.00 1.00 ATOM 120 CA ASP 118 -2.059 5.472 75.969 1.00 1.00 ATOM 121 CA MET 119 -4.777 3.525 74.188 1.00 1.00 ATOM 122 CA ASP 120 -5.565 2.218 70.725 1.00 1.00 ATOM 123 CA VAL 121 -7.906 5.187 70.452 1.00 1.00 ATOM 124 CA ASN 122 -5.100 7.681 71.106 1.00 1.00 ATOM 125 CA LEU 125 -3.051 5.846 68.500 1.00 1.00 ATOM 126 CA ARG 126 -5.835 6.040 65.938 1.00 1.00 ATOM 127 CA ARG 127 -6.064 9.786 66.478 1.00 1.00 ATOM 128 CA TYR 128 -2.442 9.890 65.239 1.00 1.00 ATOM 129 CA LYS 129 -2.973 7.770 62.115 1.00 1.00 ATOM 130 CA MET 130 -2.028 10.551 59.760 1.00 1.00 ATOM 131 CA THR 131 1.082 11.464 61.706 1.00 1.00 ATOM 132 CA LEU 132 2.282 7.861 61.669 1.00 1.00 ATOM 133 CA SER 133 1.323 7.311 58.052 1.00 1.00 ATOM 134 CA LYS 134 3.554 10.202 56.877 1.00 1.00 ATOM 135 CA VAL 135 6.522 9.565 59.163 1.00 1.00 ATOM 136 CA ASP 136 9.600 7.942 57.754 1.00 1.00 ATOM 137 CA CYS 137 9.928 5.898 60.928 1.00 1.00 ATOM 138 CA VAL 138 8.145 4.860 64.089 1.00 1.00 ATOM 139 CA VAL 139 10.135 3.925 67.189 1.00 1.00 ATOM 140 CA ILE 140 8.489 2.292 70.218 1.00 1.00 ATOM 141 CA SER 141 9.331 0.305 73.355 1.00 1.00 ATOM 142 CA GLY 142 7.278 -1.897 75.628 1.00 1.00 ATOM 143 CA SER 143 6.363 0.395 78.542 1.00 1.00 ATOM 144 CA ILE 144 3.145 1.244 76.693 1.00 1.00 ATOM 145 CA PRO 145 0.088 -1.033 76.449 1.00 1.00 ATOM 146 CA GLU 150 0.842 -3.791 73.981 1.00 1.00 ATOM 147 CA GLY 151 -2.448 -3.293 72.198 1.00 1.00 ATOM 148 CA ILE 152 -1.312 0.273 71.550 1.00 1.00 ATOM 149 CA CYS 153 2.049 -0.756 70.215 1.00 1.00 ATOM 150 CA ASN 154 0.217 -3.217 67.946 1.00 1.00 ATOM 151 CA GLU 155 -2.265 -0.715 66.586 1.00 1.00 ATOM 152 CA LEU 156 0.538 1.715 65.717 1.00 1.00 ATOM 153 CA VAL 157 2.712 -0.963 64.162 1.00 1.00 ATOM 154 CA ARG 158 -0.244 -1.881 61.931 1.00 1.00 ATOM 155 CA LEU 159 -0.699 1.703 60.773 1.00 1.00 ATOM 156 CA ALA 160 2.989 2.124 60.028 1.00 1.00 ATOM 157 CA ARG 161 3.089 -1.149 58.082 1.00 1.00 ATOM 158 CA GLU 162 0.074 -0.163 55.949 1.00 1.00 ATOM 159 CA ARG 163 1.897 3.038 55.049 1.00 1.00 ATOM 160 CA GLY 164 5.454 1.928 54.596 1.00 1.00 ATOM 161 CA VAL 165 6.604 3.587 57.807 1.00 1.00 ATOM 162 CA PHE 166 9.723 1.921 59.197 1.00 1.00 ATOM 163 CA VAL 167 8.783 0.169 62.464 1.00 1.00 ATOM 164 CA PHE 168 11.666 0.284 64.957 1.00 1.00 ATOM 165 CA VAL 169 10.994 -1.714 68.096 1.00 1.00 ATOM 166 CA GLU 170 13.099 -1.747 71.216 1.00 1.00 ATOM 167 CA GLN 171 11.531 -4.668 73.117 1.00 1.00 ATOM 168 CA THR 172 12.236 -3.396 76.625 1.00 1.00 ATOM 169 CA PRO 173 11.403 -4.063 79.281 1.00 1.00 ATOM 170 CA ARG 174 11.734 -7.781 78.668 1.00 1.00 ATOM 171 CA LEU 175 8.755 -9.928 77.782 1.00 1.00 ATOM 172 CA LEU 176 7.353 -12.318 75.237 1.00 1.00 ATOM 173 CA GLU 177 5.710 -10.925 72.111 1.00 1.00 ATOM 174 CA ILE 179 3.254 -12.430 69.589 1.00 1.00 ATOM 175 CA TYR 180 4.292 -13.351 66.027 1.00 1.00 ATOM 176 CA GLU 181 1.643 -10.919 64.821 1.00 1.00 ATOM 177 CA GLY 182 3.647 -8.020 66.299 1.00 1.00 ATOM 178 CA PRO 183 7.099 -9.317 65.309 1.00 1.00 ATOM 179 CA GLU 184 6.102 -9.788 61.689 1.00 1.00 ATOM 180 CA PHE 185 5.459 -6.037 61.406 1.00 1.00 ATOM 181 CA PRO 186 8.837 -4.906 62.673 1.00 1.00 ATOM 182 CA ASN 187 11.660 -3.820 60.383 1.00 1.00 ATOM 183 CA VAL 188 14.368 -3.109 63.023 1.00 1.00 ATOM 184 CA VAL 189 14.530 -4.669 66.485 1.00 1.00 ATOM 185 CA LYS 190 17.035 -3.917 69.275 1.00 1.00 ATOM 186 CA PRO 191 16.978 -6.531 72.042 1.00 1.00 ATOM 187 CA ASP 192 19.648 -6.691 74.669 1.00 1.00 ATOM 188 CA LEU 193 20.816 -10.198 75.615 1.00 1.00 ATOM 189 CA ARG 194 18.019 -10.881 78.123 1.00 1.00 ATOM 190 CA GLY 195 15.387 -9.876 75.588 1.00 1.00 ATOM 191 CA ASN 196 16.836 -11.887 72.736 1.00 1.00 ATOM 192 CA ALA 198 16.668 -14.921 75.036 1.00 1.00 ATOM 193 CA SER 199 13.095 -14.092 76.004 1.00 1.00 ATOM 194 CA PHE 200 12.002 -13.705 72.358 1.00 1.00 ATOM 195 CA LEU 201 13.912 -16.547 70.763 1.00 1.00 ATOM 196 CA GLY 202 14.567 -18.897 73.640 1.00 1.00 ATOM 197 CA VAL 203 18.290 -18.861 73.010 1.00 1.00 ATOM 198 CA ASP 204 20.680 -17.814 75.732 1.00 1.00 ATOM 199 CA LEU 205 23.155 -15.283 74.406 1.00 1.00 ATOM 200 CA LYS 206 26.679 -15.916 75.668 1.00 1.00 ATOM 201 CA THR 207 28.732 -15.266 72.557 1.00 1.00 ATOM 202 CA PHE 208 28.783 -13.980 68.990 1.00 1.00 ATOM 203 CA ASP 209 27.690 -17.389 67.742 1.00 1.00 ATOM 204 CA ASP 210 24.683 -17.326 70.083 1.00 1.00 ATOM 205 CA TYR 211 23.969 -13.780 68.968 1.00 1.00 ATOM 206 CA VAL 212 23.804 -14.955 65.346 1.00 1.00 ATOM 207 CA LYS 213 21.480 -17.789 66.288 1.00 1.00 ATOM 208 CA LEU 214 18.979 -15.585 68.181 1.00 1.00 ATOM 209 CA ALA 215 19.106 -13.228 65.233 1.00 1.00 ATOM 210 CA GLU 216 18.218 -15.971 62.809 1.00 1.00 ATOM 211 CA LYS 217 15.093 -16.878 64.776 1.00 1.00 ATOM 212 CA LEU 218 14.122 -13.200 64.631 1.00 1.00 ATOM 213 CA ALA 219 14.778 -12.976 60.878 1.00 1.00 ATOM 214 CA GLU 220 12.435 -15.928 60.369 1.00 1.00 ATOM 215 CA LYS 221 9.773 -14.093 62.364 1.00 1.00 ATOM 216 CA SER 222 9.875 -11.512 59.565 1.00 1.00 ATOM 218 CA GLN 223 15.032 -7.992 58.479 1.00 1.00 ATOM 219 CA VAL 224 17.315 -5.963 60.719 1.00 1.00 ATOM 220 CA SER 225 18.302 -7.309 64.110 1.00 1.00 ATOM 221 CA VAL 226 20.646 -5.582 66.505 1.00 1.00 ATOM 222 CA VAL 227 21.461 -7.394 69.730 1.00 1.00 ATOM 223 CA SER 228 23.184 -5.040 72.176 1.00 1.00 ATOM 224 CA TYR 229 25.957 -6.723 74.090 1.00 1.00 ATOM 225 CA GLU 230 26.677 -4.204 76.832 1.00 1.00 ATOM 226 CA VAL 231 30.317 -3.163 76.880 1.00 1.00 ATOM 227 CA LYS 232 30.821 -5.579 74.016 1.00 1.00 ATOM 228 CA ASN 233 28.952 -3.290 71.588 1.00 1.00 ATOM 229 CA ASP 234 26.349 -4.723 69.233 1.00 1.00 ATOM 230 CA ILE 235 25.590 -7.747 67.083 1.00 1.00 ATOM 231 CA VAL 236 24.173 -6.341 63.856 1.00 1.00 ATOM 232 CA ALA 237 22.353 -8.675 61.469 1.00 1.00 ATOM 233 CA THR 238 20.540 -8.056 58.218 1.00 1.00 ATOM 234 CA ARG 239 18.694 -11.144 57.054 1.00 1.00 ATOM 235 CA GLU 240 21.415 -13.422 58.348 1.00 1.00 ATOM 236 CA GLY 241 24.569 -11.506 57.531 1.00 1.00 ATOM 237 CA VAL 242 25.956 -10.435 60.830 1.00 1.00 ATOM 238 CA TRP 243 28.997 -8.987 62.512 1.00 1.00 ATOM 239 CA LEU 244 29.898 -7.456 65.878 1.00 1.00 ATOM 240 CA ARG 246 30.362 -3.707 66.068 1.00 1.00 ATOM 241 CA SER 247 32.413 -3.062 69.210 1.00 1.00 ATOM 242 CA LYS 248 31.414 -0.034 71.243 1.00 1.00 ATOM 243 CA GLU 249 33.820 2.643 72.385 1.00 1.00 ATOM 244 CA GLU 250 35.876 2.159 75.544 1.00 1.00 ATOM 245 CA ILE 251 35.128 4.650 78.300 1.00 1.00 ATOM 246 CA ASP 252 35.152 4.961 82.069 1.00 1.00 ATOM 247 CA THR 253 31.530 3.986 82.620 1.00 1.00 ATOM 248 CA SER 254 29.702 5.674 85.471 1.00 1.00 ATOM 249 CA HIS 255 25.946 5.291 85.001 1.00 1.00 ATOM 250 CA LEU 256 24.383 2.734 82.581 1.00 1.00 ATOM 251 CA LEU 257 20.699 3.574 82.962 1.00 1.00 ATOM 252 CA GLY 258 19.356 4.641 79.553 1.00 1.00 ATOM 253 CA ALA 259 22.447 3.629 77.592 1.00 1.00 ATOM 254 CA GLY 260 20.231 1.507 75.355 1.00 1.00 ATOM 255 CA ASP 261 17.688 4.310 75.148 1.00 1.00 ATOM 256 CA ALA 262 20.403 6.645 74.044 1.00 1.00 ATOM 257 CA TYR 263 21.596 4.170 71.550 1.00 1.00 ATOM 258 CA VAL 264 18.205 3.593 69.978 1.00 1.00 ATOM 259 CA ALA 265 17.370 7.289 69.655 1.00 1.00 ATOM 260 CA GLY 266 20.642 8.137 68.040 1.00 1.00 ATOM 261 CA MET 267 20.617 5.038 65.818 1.00 1.00 ATOM 262 CA VAL 268 17.311 6.078 64.207 1.00 1.00 ATOM 263 CA TYR 269 18.537 9.670 63.857 1.00 1.00 ATOM 264 CA TYR 270 21.571 8.516 61.919 1.00 1.00 ATOM 265 CA PHE 271 19.552 6.122 59.763 1.00 1.00 ATOM 266 CA ILE 272 17.122 8.774 58.711 1.00 1.00 ATOM 267 CA LYS 273 20.133 10.892 57.579 1.00 1.00 ATOM 268 CA GLY 275 20.778 8.024 55.153 1.00 1.00 ATOM 269 CA ALA 276 23.982 7.029 56.899 1.00 1.00 ATOM 270 CA ASN 277 24.553 3.300 56.239 1.00 1.00 ATOM 271 CA PHE 278 24.026 0.931 59.186 1.00 1.00 ATOM 272 CA LEU 279 27.678 0.775 60.304 1.00 1.00 ATOM 273 CA GLU 280 28.142 4.529 60.250 1.00 1.00 ATOM 274 CA MET 281 24.825 4.730 62.107 1.00 1.00 ATOM 275 CA ALA 282 25.830 2.187 64.743 1.00 1.00 ATOM 276 CA LYS 283 29.041 4.164 65.111 1.00 1.00 ATOM 277 CA PHE 284 27.071 7.333 65.658 1.00 1.00 ATOM 278 CA GLY 285 24.901 5.571 68.194 1.00 1.00 ATOM 279 CA PHE 286 27.730 3.851 70.084 1.00 1.00 ATOM 280 CA ALA 287 29.329 7.230 70.459 1.00 1.00 ATOM 281 CA SER 288 26.156 8.735 71.868 1.00 1.00 ATOM 282 CA ALA 289 25.673 5.985 74.365 1.00 1.00 ATOM 283 CA LEU 290 29.311 6.131 75.494 1.00 1.00 ATOM 284 CA ALA 291 28.937 9.793 76.439 1.00 1.00 ATOM 285 CA ALA 292 25.717 8.830 78.185 1.00 1.00 ATOM 286 CA THR 293 27.396 6.241 80.380 1.00 1.00 ATOM 287 CA ARG 294 29.795 8.908 81.765 1.00 1.00 ATOM 288 CA ARG 295 26.896 10.987 82.992 1.00 1.00 ATOM 289 CA LYS 296 24.380 10.646 85.796 1.00 1.00 ATOM 290 CA GLU 297 20.707 9.886 85.428 1.00 1.00 ATOM 291 CA LYS 298 18.717 9.114 82.314 1.00 1.00 ATOM 294 CA TYR 299 22.890 12.080 80.537 1.00 1.00 ATOM 295 CA MET 300 21.750 12.284 76.927 1.00 1.00 ATOM 296 CA PRO 301 24.268 13.976 74.608 1.00 1.00 ATOM 297 CA ASP 302 23.740 16.729 72.101 1.00 1.00 ATOM 298 CA LEU 303 24.615 16.362 68.435 1.00 1.00 ATOM 299 CA GLU 304 27.511 18.787 68.705 1.00 1.00 ATOM 300 CA ALA 305 28.864 16.687 71.590 1.00 1.00 ATOM 301 CA ILE 306 28.432 13.455 69.650 1.00 1.00 ATOM 302 CA LYS 307 30.115 15.042 66.615 1.00 1.00 ATOM 303 CA LYS 308 32.927 16.410 68.801 1.00 1.00 ATOM 304 CA GLU 309 33.457 12.932 70.294 1.00 1.00 ATOM 305 CA TYR 310 33.770 11.292 66.893 1.00 1.00 ATOM 306 CA ASP 311 36.300 13.833 65.653 1.00 1.00 ATOM 307 CA HIS 312 38.394 13.136 68.757 1.00 1.00 ATOM 308 CA PHE 313 38.450 9.523 67.507 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:35:08 2002 Date: Thu, 22 Aug 2002 13:35:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0189 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 13:06:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_217362_31422 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0189TS007_2 Current information on models submitted in prediction T0189TS007 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 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 T0189 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 casp5@bialko.llnl.gov T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1GQT_B # Loading PARENT structure: 1gqt (chain: B) # Number of residues in PARENT structure: 307 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue N 8 # IMPORTANT NOTE! Not complete main chain atoms for residue P 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue R 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue S 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue I 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue S 46 # IMPORTANT NOTE! Not complete main chain atoms for residue I 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue S 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue P 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue F 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue N 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue P 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue D 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue N 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue G 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue C 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue N 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue K 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue G 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue S 199 # IMPORTANT NOTE! Not complete main chain atoms for residue F 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue D 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue K 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue D 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue E 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue S 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue V 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue V 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue R 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue W 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue S 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue E 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue H 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue D 261 # IMPORTANT NOTE! Not complete main chain atoms for residue A 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # IMPORTANT NOTE! Not complete main chain atoms for residue A 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue M 267 # IMPORTANT NOTE! Not complete main chain atoms for residue V 268 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 269 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 270 # IMPORTANT NOTE! Not complete main chain atoms for residue F 271 # IMPORTANT NOTE! Not complete main chain atoms for residue I 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue N 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue E 280 # IMPORTANT NOTE! Not complete main chain atoms for residue M 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue A 287 # IMPORTANT NOTE! Not complete main chain atoms for residue S 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue T 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue K 296 # IMPORTANT NOTE! Not complete main chain atoms for residue E 297 # IMPORTANT NOTE! Not complete main chain atoms for residue K 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue P 301 # IMPORTANT NOTE! Not complete main chain atoms for residue D 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue E 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue I 306 # IMPORTANT NOTE! Not complete main chain atoms for residue K 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 310 # IMPORTANT NOTE! Not complete main chain atoms for residue D 311 # IMPORTANT NOTE! Not complete main chain atoms for residue H 312 # IMPORTANT NOTE! Not complete main chain atoms for residue F 313 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0189 # Total number of residues in target: 319 # Total number of residues in model: 298 # Total number of atoms in model: 298 # Number of atoms with 1.0 occupancy: 298 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 298 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0189 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1GQT_B ATOM 7 CA LEU 3 8.441 10.394 126.753 1.00 1.00 ATOM 8 CA THR 4 11.191 11.547 124.432 1.00 1.00 ATOM 9 CA VAL 5 11.554 10.056 120.967 1.00 1.00 ATOM 10 CA THR 6 14.723 10.632 119.048 1.00 1.00 ATOM 11 CA LEU 7 15.091 9.421 115.459 1.00 1.00 ATOM 12 CA ASN 8 14.460 9.838 111.755 1.00 1.00 ATOM 13 CA PRO 9 11.858 11.348 109.434 1.00 1.00 ATOM 14 CA ALA 10 11.283 10.317 105.815 1.00 1.00 ATOM 15 CA LEU 11 8.998 10.730 102.867 1.00 1.00 ATOM 16 CA ASP 12 8.079 7.173 101.838 1.00 1.00 ATOM 17 CA ARG 13 7.664 6.243 98.183 1.00 1.00 ATOM 18 CA GLU 14 5.840 2.910 98.185 1.00 1.00 ATOM 19 CA ILE 15 5.188 0.671 95.222 1.00 1.00 ATOM 20 CA PHE 16 3.189 -2.547 95.576 1.00 1.00 ATOM 21 CA ILE 17 4.071 -5.218 93.088 1.00 1.00 ATOM 22 CA GLU 18 3.946 -8.980 92.691 1.00 1.00 ATOM 23 CA ASP 19 7.615 -9.927 92.887 1.00 1.00 ATOM 24 CA PHE 20 10.644 -7.853 93.829 1.00 1.00 ATOM 25 CA GLN 21 12.573 -6.839 90.750 1.00 1.00 ATOM 26 CA VAL 22 15.436 -9.148 89.914 1.00 1.00 ATOM 27 CA ASN 23 18.827 -7.782 88.876 1.00 1.00 ATOM 28 CA ARG 24 18.607 -6.014 85.522 1.00 1.00 ATOM 29 CA LEU 25 14.841 -6.558 85.789 1.00 1.00 ATOM 30 CA TYR 26 12.084 -3.950 85.444 1.00 1.00 ATOM 31 CA ARG 27 8.674 -4.585 86.998 1.00 1.00 ATOM 32 CA ASP 30 5.420 -2.646 86.948 1.00 1.00 ATOM 33 CA LEU 31 3.529 -2.373 90.226 1.00 1.00 ATOM 34 CA SER 32 -0.190 -2.247 90.953 1.00 1.00 ATOM 35 CA LYS 33 -0.193 0.558 93.530 1.00 1.00 ATOM 36 CA THR 34 1.885 3.605 94.370 1.00 1.00 ATOM 37 CA GLN 35 1.741 5.903 97.386 1.00 1.00 ATOM 38 CA MET 36 3.669 8.818 98.883 1.00 1.00 ATOM 39 CA SER 37 3.366 9.064 102.684 1.00 1.00 ATOM 40 CA PRO 38 5.121 10.253 105.810 1.00 1.00 ATOM 41 CA GLY 39 7.444 7.759 107.349 1.00 1.00 ATOM 42 CA GLY 40 10.694 7.226 109.112 1.00 1.00 ATOM 43 CA LYS 41 11.121 4.975 112.094 1.00 1.00 ATOM 44 CA GLY 42 11.420 7.843 114.572 1.00 1.00 ATOM 45 CA ILE 43 8.431 9.710 113.165 1.00 1.00 ATOM 46 CA ASN 44 6.360 6.532 113.008 1.00 1.00 ATOM 47 CA VAL 45 7.119 5.748 116.603 1.00 1.00 ATOM 48 CA SER 46 6.509 9.344 117.686 1.00 1.00 ATOM 49 CA ILE 47 3.133 9.268 115.976 1.00 1.00 ATOM 50 CA ALA 48 2.167 5.879 117.442 1.00 1.00 ATOM 51 CA LEU 49 3.046 7.157 120.916 1.00 1.00 ATOM 52 CA SER 50 1.200 10.443 120.395 1.00 1.00 ATOM 53 CA LYS 51 -1.976 9.027 118.856 1.00 1.00 ATOM 54 CA LEU 52 -1.907 6.330 121.511 1.00 1.00 ATOM 55 CA GLY 53 -1.887 8.968 124.251 1.00 1.00 ATOM 56 CA VAL 54 1.658 9.544 125.461 1.00 1.00 ATOM 57 CA PRO 55 3.042 12.910 126.558 1.00 1.00 ATOM 58 CA SER 56 5.721 12.924 123.954 1.00 1.00 ATOM 59 CA VAL 57 8.344 15.208 122.451 1.00 1.00 ATOM 60 CA ALA 58 10.265 14.305 119.279 1.00 1.00 ATOM 61 CA THR 59 13.977 15.039 118.723 1.00 1.00 ATOM 62 CA GLY 60 14.653 15.010 114.965 1.00 1.00 ATOM 63 CA PHE 61 15.799 16.887 111.849 1.00 1.00 ATOM 64 CA VAL 62 13.954 17.644 108.628 1.00 1.00 ATOM 65 CA GLY 63 15.412 19.570 105.722 1.00 1.00 ATOM 66 CA GLY 64 14.342 23.029 104.689 1.00 1.00 ATOM 67 CA TYR 65 12.257 21.881 101.728 1.00 1.00 ATOM 69 CA MET 66 8.115 18.249 102.474 1.00 1.00 ATOM 70 CA GLY 67 9.943 19.205 105.674 1.00 1.00 ATOM 71 CA LYS 68 7.469 21.909 106.531 1.00 1.00 ATOM 72 CA ILE 69 4.536 19.628 105.690 1.00 1.00 ATOM 73 CA LEU 70 5.773 16.819 107.957 1.00 1.00 ATOM 74 CA VAL 71 6.306 19.255 110.830 1.00 1.00 ATOM 75 CA GLU 72 2.746 20.549 110.535 1.00 1.00 ATOM 76 CA GLU 73 1.355 17.053 110.354 1.00 1.00 ATOM 77 CA LEU 74 3.355 15.870 113.398 1.00 1.00 ATOM 78 CA ARG 75 2.000 18.748 115.473 1.00 1.00 ATOM 79 CA LYS 76 -1.566 17.423 114.903 1.00 1.00 ATOM 80 CA ILE 77 -0.485 13.992 116.091 1.00 1.00 ATOM 81 CA SER 78 -0.217 15.069 119.737 1.00 1.00 ATOM 82 CA LYS 79 3.537 15.409 119.450 1.00 1.00 ATOM 83 CA LEU 80 5.565 18.266 120.887 1.00 1.00 ATOM 84 CA ILE 81 7.713 19.208 117.867 1.00 1.00 ATOM 85 CA THR 82 9.677 21.992 119.525 1.00 1.00 ATOM 86 CA THR 83 12.848 19.837 119.361 1.00 1.00 ATOM 87 CA ASN 84 12.423 19.067 115.644 1.00 1.00 ATOM 88 CA PHE 85 15.210 21.034 113.937 1.00 1.00 ATOM 89 CA VAL 86 15.080 22.466 110.383 1.00 1.00 ATOM 90 CA TYR 87 18.542 21.869 108.884 1.00 1.00 ATOM 91 CA VAL 88 19.268 24.531 106.240 1.00 1.00 ATOM 92 CA GLU 89 20.836 23.283 103.029 1.00 1.00 ATOM 93 CA GLY 90 19.627 19.695 103.389 1.00 1.00 ATOM 94 CA GLU 91 16.640 17.817 101.991 1.00 1.00 ATOM 95 CA THR 92 14.301 15.731 104.104 1.00 1.00 ATOM 96 CA ARG 93 14.997 11.993 104.273 1.00 1.00 ATOM 97 CA GLU 94 13.465 9.818 101.560 1.00 1.00 ATOM 98 CA ASN 95 12.764 6.065 101.524 1.00 1.00 ATOM 99 CA ILE 96 12.066 4.016 98.387 1.00 1.00 ATOM 100 CA GLU 97 9.969 0.957 99.209 1.00 1.00 ATOM 101 CA ILE 98 8.859 -2.176 97.319 1.00 1.00 ATOM 102 CA ILE 99 6.190 -4.395 98.900 1.00 1.00 ATOM 103 CA ASP 100 5.746 -7.804 97.211 1.00 1.00 ATOM 104 CA LYS 102 2.627 -9.940 96.722 1.00 1.00 ATOM 105 CA ASN 103 2.826 -11.460 100.148 1.00 1.00 ATOM 106 CA LYS 104 3.670 -8.184 101.866 1.00 1.00 ATOM 107 CA THR 105 7.372 -8.581 102.463 1.00 1.00 ATOM 108 CA ILE 106 9.140 -5.286 101.858 1.00 1.00 ATOM 109 CA THR 107 12.469 -3.865 100.834 1.00 1.00 ATOM 110 CA ALA 108 13.677 -0.347 101.636 1.00 1.00 ATOM 111 CA ILE 109 16.425 1.913 100.390 1.00 1.00 ATOM 112 CA ASN 110 16.921 5.161 102.245 1.00 1.00 ATOM 113 CA PHE 111 18.549 8.475 101.501 1.00 1.00 ATOM 114 CA PRO 112 19.396 9.908 104.872 1.00 1.00 ATOM 115 CA GLY 113 19.322 13.620 104.004 1.00 1.00 ATOM 116 CA PRO 114 18.717 15.739 107.121 1.00 1.00 ATOM 117 CA ASP 115 18.483 12.681 109.343 1.00 1.00 ATOM 118 CA VAL 116 22.204 12.542 109.035 1.00 1.00 ATOM 119 CA THR 117 22.482 15.964 110.690 1.00 1.00 ATOM 120 CA ASP 118 21.138 14.744 114.070 1.00 1.00 ATOM 121 CA MET 119 24.483 15.146 115.849 1.00 1.00 ATOM 122 CA ASP 120 25.749 14.903 119.373 1.00 1.00 ATOM 123 CA VAL 121 25.724 18.714 119.516 1.00 1.00 ATOM 124 CA ASN 122 21.977 18.651 118.875 1.00 1.00 ATOM 125 CA LEU 125 21.328 15.918 121.477 1.00 1.00 ATOM 126 CA ARG 126 23.427 17.852 123.963 1.00 1.00 ATOM 127 CA ARG 127 21.167 20.858 123.395 1.00 1.00 ATOM 128 CA TYR 128 18.335 18.607 124.567 1.00 1.00 ATOM 129 CA LYS 129 20.240 17.538 127.711 1.00 1.00 ATOM 130 CA MET 130 17.758 18.965 130.248 1.00 1.00 ATOM 131 CA THR 131 14.890 17.433 128.296 1.00 1.00 ATOM 132 CA LEU 132 16.312 13.912 128.240 1.00 1.00 ATOM 133 CA SER 133 17.312 14.098 131.882 1.00 1.00 ATOM 134 CA LYS 134 13.804 15.175 132.939 1.00 1.00 ATOM 135 CA VAL 135 11.808 12.663 130.809 1.00 1.00 ATOM 136 CA ASP 136 10.604 9.322 132.176 1.00 1.00 ATOM 137 CA CYS 137 11.687 7.517 128.989 1.00 1.00 ATOM 138 CA VAL 138 13.748 7.867 125.820 1.00 1.00 ATOM 139 CA VAL 139 12.800 5.774 122.736 1.00 1.00 ATOM 140 CA ILE 140 15.260 5.503 119.804 1.00 1.00 ATOM 141 CA SER 141 16.037 3.402 116.727 1.00 1.00 ATOM 142 CA GLY 142 19.005 2.991 114.420 1.00 1.00 ATOM 143 CA SER 143 18.097 5.286 111.567 1.00 1.00 ATOM 144 CA ILE 144 20.084 8.111 113.227 1.00 1.00 ATOM 145 CA PRO 145 23.881 8.381 113.542 1.00 1.00 ATOM 146 CA GLU 150 25.288 5.951 116.083 1.00 1.00 ATOM 147 CA GLY 151 27.284 8.686 117.856 1.00 1.00 ATOM 148 CA ILE 152 24.024 10.516 118.624 1.00 1.00 ATOM 149 CA CYS 153 22.109 7.494 119.917 1.00 1.00 ATOM 150 CA ASN 154 25.012 6.837 122.286 1.00 1.00 ATOM 151 CA GLU 155 25.180 10.426 123.543 1.00 1.00 ATOM 152 CA LEU 156 21.446 10.307 124.198 1.00 1.00 ATOM 153 CA VAL 157 21.710 6.917 125.948 1.00 1.00 ATOM 154 CA ARG 158 24.426 8.210 128.260 1.00 1.00 ATOM 155 CA LEU 159 22.464 11.272 129.255 1.00 1.00 ATOM 156 CA ALA 160 19.387 9.160 129.909 1.00 1.00 ATOM 157 CA ARG 161 21.304 6.524 131.834 1.00 1.00 ATOM 158 CA GLU 162 22.911 9.056 134.185 1.00 1.00 ATOM 159 CA ARG 163 19.475 10.529 134.892 1.00 1.00 ATOM 160 CA GLY 164 17.669 7.261 135.235 1.00 1.00 ATOM 161 CA VAL 165 15.602 8.062 132.201 1.00 1.00 ATOM 162 CA PHE 166 14.524 4.664 130.872 1.00 1.00 ATOM 163 CA VAL 167 16.354 3.845 127.646 1.00 1.00 ATOM 164 CA PHE 168 14.223 1.949 125.147 1.00 1.00 ATOM 165 CA VAL 169 15.996 0.975 121.953 1.00 1.00 ATOM 166 CA GLU 170 14.396 -0.470 118.826 1.00 1.00 ATOM 167 CA GLN 171 17.454 -1.877 117.104 1.00 1.00 ATOM 168 CA THR 172 16.236 -1.402 113.478 1.00 1.00 ATOM 169 CA PRO 173 17.448 -1.385 110.777 1.00 1.00 ATOM 170 CA ARG 174 19.519 -4.468 111.481 1.00 1.00 ATOM 171 CA LEU 175 23.142 -4.030 112.495 1.00 1.00 ATOM 172 CA LEU 176 25.869 -4.898 115.007 1.00 1.00 ATOM 173 CA GLU 177 26.039 -2.646 118.079 1.00 1.00 ATOM 174 CA ILE 179 28.915 -2.006 120.515 1.00 1.00 ATOM 175 CA TYR 180 28.704 -3.426 124.059 1.00 1.00 ATOM 176 CA GLU 181 29.123 0.138 125.300 1.00 1.00 ATOM 177 CA GLY 182 25.696 1.058 124.008 1.00 1.00 ATOM 178 CA PRO 183 23.915 -2.252 124.830 1.00 1.00 ATOM 179 CA GLU 184 24.950 -1.735 128.462 1.00 1.00 ATOM 180 CA PHE 185 22.878 1.454 128.686 1.00 1.00 ATOM 181 CA PRO 186 19.639 -0.023 127.334 1.00 1.00 ATOM 182 CA ASN 187 16.763 -1.015 129.659 1.00 1.00 ATOM 183 CA VAL 188 14.301 -2.343 127.046 1.00 1.00 ATOM 184 CA VAL 189 15.201 -3.643 123.603 1.00 1.00 ATOM 185 CA LYS 190 12.792 -4.795 120.840 1.00 1.00 ATOM 186 CA PRO 191 14.588 -6.671 118.086 1.00 1.00 ATOM 187 CA ASP 192 12.758 -8.716 115.521 1.00 1.00 ATOM 188 CA LEU 193 14.057 -12.207 114.718 1.00 1.00 ATOM 189 CA ARG 194 16.491 -10.821 112.188 1.00 1.00 ATOM 190 CA GLY 195 17.882 -8.156 114.560 1.00 1.00 ATOM 191 CA ASN 196 18.039 -10.637 117.440 1.00 1.00 ATOM 192 CA ALA 198 20.292 -12.805 115.208 1.00 1.00 ATOM 193 CA SER 199 22.481 -9.971 114.073 1.00 1.00 ATOM 194 CA PHE 200 23.151 -8.893 117.692 1.00 1.00 ATOM 195 CA LEU 201 23.517 -12.288 119.390 1.00 1.00 ATOM 196 CA GLY 202 24.567 -14.528 116.525 1.00 1.00 ATOM 197 CA VAL 203 21.632 -16.775 117.402 1.00 1.00 ATOM 198 CA ASP 204 18.951 -17.722 114.816 1.00 1.00 ATOM 199 CA LEU 205 15.464 -17.304 116.234 1.00 1.00 ATOM 200 CA LYS 206 12.826 -19.725 114.916 1.00 1.00 ATOM 201 CA THR 207 10.884 -20.546 118.080 1.00 1.00 ATOM 202 CA PHE 208 10.491 -19.541 121.698 1.00 1.00 ATOM 203 CA ASP 209 13.450 -21.705 122.738 1.00 1.00 ATOM 204 CA ASP 210 15.834 -19.920 120.364 1.00 1.00 ATOM 205 CA TYR 211 14.341 -16.675 121.607 1.00 1.00 ATOM 206 CA VAL 212 15.272 -17.562 125.166 1.00 1.00 ATOM 207 CA LYS 213 18.870 -18.052 124.132 1.00 1.00 ATOM 208 CA LEU 214 18.980 -14.871 122.112 1.00 1.00 ATOM 209 CA ALA 215 17.466 -12.944 125.011 1.00 1.00 ATOM 210 CA GLU 216 19.978 -14.378 127.470 1.00 1.00 ATOM 211 CA LYS 217 22.923 -12.995 125.481 1.00 1.00 ATOM 212 CA LEU 218 21.211 -9.591 125.444 1.00 1.00 ATOM 213 CA ALA 219 20.491 -9.823 129.150 1.00 1.00 ATOM 214 CA GLU 220 24.110 -10.694 129.907 1.00 1.00 ATOM 215 CA LYS 221 25.109 -7.667 127.862 1.00 1.00 ATOM 216 CA SER 222 23.260 -5.578 130.504 1.00 1.00 ATOM 218 CA GLN 223 17.075 -6.122 131.772 1.00 1.00 ATOM 219 CA VAL 224 13.988 -6.184 129.469 1.00 1.00 ATOM 220 CA SER 225 14.163 -8.015 126.167 1.00 1.00 ATOM 221 CA VAL 226 11.237 -8.251 123.799 1.00 1.00 ATOM 222 CA VAL 227 11.948 -10.193 120.610 1.00 1.00 ATOM 223 CA SER 228 8.994 -9.772 118.234 1.00 1.00 ATOM 224 CA TYR 229 7.890 -12.878 116.438 1.00 1.00 ATOM 225 CA GLU 230 5.709 -11.378 113.697 1.00 1.00 ATOM 226 CA VAL 231 2.448 -13.319 113.735 1.00 1.00 ATOM 227 CA LYS 232 3.451 -15.504 116.671 1.00 1.00 ATOM 228 CA ASN 233 3.503 -12.472 118.976 1.00 1.00 ATOM 229 CA ASP 234 6.467 -11.660 121.204 1.00 1.00 ATOM 230 CA ILE 235 8.914 -13.298 123.532 1.00 1.00 ATOM 231 CA VAL 236 9.060 -11.179 126.621 1.00 1.00 ATOM 232 CA ALA 237 12.050 -11.564 128.917 1.00 1.00 ATOM 233 CA THR 238 13.029 -9.853 132.135 1.00 1.00 ATOM 234 CA ARG 239 16.419 -10.759 133.690 1.00 1.00 ATOM 235 CA GLU 240 16.117 -14.190 132.091 1.00 1.00 ATOM 236 CA GLY 241 12.488 -14.924 132.956 1.00 1.00 ATOM 237 CA VAL 242 10.828 -15.413 129.559 1.00 1.00 ATOM 238 CA TRP 243 7.161 -15.671 128.552 1.00 1.00 ATOM 239 CA LEU 244 5.270 -15.728 125.259 1.00 1.00 ATOM 240 CA ARG 246 2.644 -13.137 124.499 1.00 1.00 ATOM 241 CA SER 247 0.563 -13.694 121.367 1.00 1.00 ATOM 242 CA LYS 248 -0.791 -10.894 119.240 1.00 1.00 ATOM 243 CA GLU 249 -4.258 -10.654 117.755 1.00 1.00 ATOM 244 CA GLU 250 -5.257 -12.349 114.467 1.00 1.00 ATOM 245 CA ILE 251 -6.428 -10.035 111.666 1.00 1.00 ATOM 246 CA ASP 252 -6.267 -9.867 107.878 1.00 1.00 ATOM 247 CA THR 253 -3.011 -8.246 106.749 1.00 1.00 ATOM 248 CA SER 254 -2.800 -5.879 103.816 1.00 1.00 ATOM 249 CA HIS 255 0.333 -3.938 104.769 1.00 1.00 ATOM 250 CA LEU 256 2.826 -4.434 107.584 1.00 1.00 ATOM 251 CA LEU 257 4.948 -1.318 106.954 1.00 1.00 ATOM 252 CA GLY 258 5.419 0.353 110.372 1.00 1.00 ATOM 253 CA ALA 259 3.981 -2.534 112.385 1.00 1.00 ATOM 254 CA GLY 260 6.949 -2.648 114.745 1.00 1.00 ATOM 255 CA ASP 261 6.997 1.114 114.900 1.00 1.00 ATOM 256 CA ALA 262 3.379 1.094 116.039 1.00 1.00 ATOM 257 CA TYR 263 4.163 -1.644 118.541 1.00 1.00 ATOM 258 CA VAL 264 7.068 0.300 119.983 1.00 1.00 ATOM 259 CA ALA 265 5.187 3.555 120.305 1.00 1.00 ATOM 260 CA GLY 266 2.153 2.140 122.055 1.00 1.00 ATOM 261 CA MET 267 4.290 -0.108 124.143 1.00 1.00 ATOM 262 CA VAL 268 6.179 2.820 125.708 1.00 1.00 ATOM 263 CA TYR 269 2.872 4.660 126.179 1.00 1.00 ATOM 264 CA TYR 270 1.209 1.896 128.170 1.00 1.00 ATOM 265 CA PHE 271 4.342 1.374 130.294 1.00 1.00 ATOM 266 CA ILE 272 4.369 5.082 131.098 1.00 1.00 ATOM 267 CA LYS 273 0.788 4.585 132.150 1.00 1.00 ATOM 268 CA GLY 275 2.168 2.060 134.640 1.00 1.00 ATOM 269 CA ALA 276 0.370 -0.856 132.981 1.00 1.00 ATOM 270 CA ASN 277 2.290 -4.051 133.681 1.00 1.00 ATOM 271 CA PHE 278 4.451 -5.500 130.958 1.00 1.00 ATOM 272 CA LEU 279 1.963 -8.224 129.878 1.00 1.00 ATOM 273 CA GLU 280 -0.926 -5.799 129.462 1.00 1.00 ATOM 274 CA MET 281 1.322 -3.073 128.048 1.00 1.00 ATOM 275 CA ALA 282 2.437 -5.519 125.366 1.00 1.00 ATOM 276 CA LYS 283 -1.145 -6.496 124.735 1.00 1.00 ATOM 277 CA PHE 284 -2.048 -2.846 124.177 1.00 1.00 ATOM 278 CA GLY 285 0.883 -2.531 121.770 1.00 1.00 ATOM 279 CA PHE 286 -0.228 -5.714 119.956 1.00 1.00 ATOM 280 CA ALA 287 -3.663 -4.213 119.568 1.00 1.00 ATOM 281 CA SER 288 -2.316 -0.992 118.022 1.00 1.00 ATOM 282 CA ALA 289 -0.106 -2.771 115.577 1.00 1.00 ATOM 283 CA LEU 290 -2.847 -5.203 114.612 1.00 1.00 ATOM 284 CA ALA 291 -5.053 -2.345 113.568 1.00 1.00 ATOM 285 CA ALA 292 -2.035 -0.795 111.862 1.00 1.00 ATOM 286 CA THR 293 -1.541 -3.821 109.675 1.00 1.00 ATOM 287 CA ARG 294 -4.997 -3.499 108.149 1.00 1.00 ATOM 288 CA ARG 295 -4.208 -0.031 106.709 1.00 1.00 ATOM 289 CA LYS 296 -1.795 1.204 103.990 1.00 1.00 ATOM 290 CA GLU 297 1.276 3.386 104.308 1.00 1.00 ATOM 291 CA LYS 298 3.046 4.051 107.576 1.00 1.00 ATOM 294 CA TYR 299 -1.987 3.398 109.304 1.00 1.00 ATOM 295 CA MET 300 -1.318 4.307 112.994 1.00 1.00 ATOM 296 CA PRO 301 -4.442 4.146 115.232 1.00 1.00 ATOM 297 CA ASP 302 -5.689 6.696 117.749 1.00 1.00 ATOM 298 CA LEU 303 -6.151 5.742 121.413 1.00 1.00 ATOM 299 CA GLU 304 -9.945 5.790 120.955 1.00 1.00 ATOM 300 CA ALA 305 -9.718 3.026 118.378 1.00 1.00 ATOM 301 CA ILE 306 -7.291 0.954 120.415 1.00 1.00 ATOM 302 CA LYS 307 -9.522 0.873 123.497 1.00 1.00 ATOM 303 CA LYS 308 -12.594 0.066 121.320 1.00 1.00 ATOM 304 CA GLU 309 -10.741 -2.795 119.680 1.00 1.00 ATOM 305 CA TYR 310 -9.395 -4.193 122.923 1.00 1.00 ATOM 306 CA ASP 311 -12.755 -4.201 124.657 1.00 1.00 ATOM 307 CA HIS 312 -14.459 -5.522 121.560 1.00 1.00 ATOM 308 CA PHE 313 -12.949 -8.948 121.562 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:35:19 2002 Date: Thu, 22 Aug 2002 13:35:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0189 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 13:07:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_223330_31423 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0189TS007_3 Current information on models submitted in prediction T0189TS007 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 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 T0189 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1GQT_C # Loading PARENT structure: 1gqt (chain: C) # Number of residues in PARENT structure: 306 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue L 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue N 8 # IMPORTANT NOTE! Not complete main chain atoms for residue P 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue R 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue S 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue I 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue S 46 # IMPORTANT NOTE! Not complete main chain atoms for residue I 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue S 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue P 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue F 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue N 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue P 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue D 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue N 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue G 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue C 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue N 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue K 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue G 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue S 199 # IMPORTANT NOTE! Not complete main chain atoms for residue F 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue D 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue K 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue D 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue E 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue S 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue V 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue V 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue R 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue W 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue S 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue E 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue H 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue D 261 # IMPORTANT NOTE! Not complete main chain atoms for residue A 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # IMPORTANT NOTE! Not complete main chain atoms for residue A 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue M 267 # IMPORTANT NOTE! Not complete main chain atoms for residue V 268 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 269 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 270 # IMPORTANT NOTE! Not complete main chain atoms for residue F 271 # IMPORTANT NOTE! Not complete main chain atoms for residue I 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue N 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue E 280 # IMPORTANT NOTE! Not complete main chain atoms for residue M 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue A 287 # IMPORTANT NOTE! Not complete main chain atoms for residue S 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue T 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue K 296 # IMPORTANT NOTE! Not complete main chain atoms for residue E 297 # IMPORTANT NOTE! Not complete main chain atoms for residue K 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue P 301 # IMPORTANT NOTE! Not complete main chain atoms for residue D 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue E 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue I 306 # IMPORTANT NOTE! Not complete main chain atoms for residue K 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 310 # IMPORTANT NOTE! Not complete main chain atoms for residue D 311 # IMPORTANT NOTE! Not complete main chain atoms for residue H 312 # IMPORTANT NOTE! Not complete main chain atoms for residue F 313 # IMPORTANT NOTE! Not complete main chain atoms for residue T 314 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0189 # Total number of residues in target: 319 # Total number of residues in model: 299 # Total number of atoms in model: 299 # Number of atoms with 1.0 occupancy: 299 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 299 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0189 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1GQT_C ATOM 7 CA LEU 3 21.887 3.142 211.281 1.00 1.00 ATOM 8 CA THR 4 23.274 0.548 208.917 1.00 1.00 ATOM 9 CA VAL 5 21.596 0.122 205.541 1.00 1.00 ATOM 10 CA THR 6 22.434 -2.907 203.430 1.00 1.00 ATOM 11 CA LEU 7 21.216 -3.113 199.827 1.00 1.00 ATOM 12 CA ASN 8 21.569 -2.522 196.115 1.00 1.00 ATOM 13 CA PRO 9 22.894 0.317 193.946 1.00 1.00 ATOM 14 CA ALA 10 21.713 0.868 190.360 1.00 1.00 ATOM 15 CA LEU 11 22.061 3.424 187.605 1.00 1.00 ATOM 16 CA ASP 12 18.481 4.245 186.657 1.00 1.00 ATOM 17 CA ARG 13 17.603 4.836 183.012 1.00 1.00 ATOM 18 CA GLU 14 14.280 6.640 183.158 1.00 1.00 ATOM 19 CA ILE 15 11.915 7.412 180.258 1.00 1.00 ATOM 20 CA PHE 16 8.861 9.645 180.685 1.00 1.00 ATOM 21 CA ILE 17 6.048 8.783 178.314 1.00 1.00 ATOM 22 CA GLU 18 2.291 9.326 178.295 1.00 1.00 ATOM 23 CA ASP 19 1.122 5.705 178.164 1.00 1.00 ATOM 24 CA PHE 20 3.046 2.539 178.951 1.00 1.00 ATOM 25 CA GLN 21 3.912 0.562 175.813 1.00 1.00 ATOM 26 CA VAL 22 1.666 -2.351 174.872 1.00 1.00 ATOM 27 CA ASN 23 3.410 -5.542 173.740 1.00 1.00 ATOM 28 CA ARG 24 4.683 -5.248 170.177 1.00 1.00 ATOM 29 CA LEU 25 4.224 -1.516 170.631 1.00 1.00 ATOM 30 CA TYR 26 6.955 1.072 170.198 1.00 1.00 ATOM 31 CA ARG 27 6.301 4.446 171.785 1.00 1.00 ATOM 32 CA ASP 30 8.379 7.624 172.035 1.00 1.00 ATOM 33 CA LEU 31 8.797 9.420 175.349 1.00 1.00 ATOM 34 CA SER 32 9.174 13.095 176.078 1.00 1.00 ATOM 35 CA LYS 33 12.033 12.981 178.561 1.00 1.00 ATOM 36 CA THR 34 14.974 10.737 179.342 1.00 1.00 ATOM 37 CA GLN 35 17.258 10.746 182.338 1.00 1.00 ATOM 38 CA MET 36 20.005 8.679 183.857 1.00 1.00 ATOM 39 CA SER 37 20.298 8.902 187.641 1.00 1.00 ATOM 40 CA PRO 38 21.266 7.029 190.751 1.00 1.00 ATOM 41 CA GLY 39 18.858 4.452 192.068 1.00 1.00 ATOM 42 CA GLY 40 18.401 1.055 193.586 1.00 1.00 ATOM 43 CA LYS 41 16.391 0.409 196.737 1.00 1.00 ATOM 44 CA GLY 42 19.363 0.144 199.061 1.00 1.00 ATOM 45 CA ILE 43 20.950 3.488 198.135 1.00 1.00 ATOM 46 CA ASN 44 17.646 5.255 197.772 1.00 1.00 ATOM 47 CA VAL 45 16.897 4.281 201.368 1.00 1.00 ATOM 48 CA SER 46 20.391 5.271 202.475 1.00 1.00 ATOM 49 CA ILE 47 20.063 8.702 200.850 1.00 1.00 ATOM 50 CA ALA 48 16.649 9.231 202.444 1.00 1.00 ATOM 51 CA LEU 49 18.139 8.403 205.833 1.00 1.00 ATOM 52 CA SER 50 21.252 10.488 205.203 1.00 1.00 ATOM 53 CA LYS 51 19.437 13.552 203.963 1.00 1.00 ATOM 54 CA LEU 52 16.842 13.061 206.776 1.00 1.00 ATOM 55 CA GLY 53 19.592 13.366 209.318 1.00 1.00 ATOM 56 CA VAL 54 20.482 9.799 210.357 1.00 1.00 ATOM 57 CA PRO 55 23.987 8.741 211.327 1.00 1.00 ATOM 58 CA SER 56 24.150 6.058 208.672 1.00 1.00 ATOM 59 CA VAL 57 26.618 3.704 207.037 1.00 1.00 ATOM 60 CA ALA 58 25.842 1.851 203.777 1.00 1.00 ATOM 61 CA THR 59 26.860 -1.742 203.027 1.00 1.00 ATOM 62 CA GLY 60 26.794 -2.316 199.270 1.00 1.00 ATOM 63 CA PHE 61 28.840 -3.098 196.156 1.00 1.00 ATOM 64 CA VAL 62 29.370 -1.234 192.891 1.00 1.00 ATOM 65 CA GLY 63 31.122 -2.527 189.794 1.00 1.00 ATOM 66 CA GLY 64 34.638 -1.403 188.848 1.00 1.00 ATOM 67 CA TYR 65 33.182 0.924 186.218 1.00 1.00 ATOM 69 CA MET 66 29.397 4.897 186.963 1.00 1.00 ATOM 70 CA GLY 67 30.331 2.968 190.099 1.00 1.00 ATOM 71 CA LYS 68 33.000 5.582 190.846 1.00 1.00 ATOM 72 CA ILE 69 30.497 8.443 190.438 1.00 1.00 ATOM 73 CA LEU 70 27.773 6.992 192.650 1.00 1.00 ATOM 74 CA VAL 71 30.184 6.317 195.521 1.00 1.00 ATOM 75 CA GLU 72 31.297 9.901 195.258 1.00 1.00 ATOM 76 CA GLU 73 27.696 11.212 195.177 1.00 1.00 ATOM 77 CA LEU 74 26.725 8.974 198.111 1.00 1.00 ATOM 78 CA ARG 75 29.421 10.555 200.220 1.00 1.00 ATOM 79 CA LYS 76 27.863 14.028 199.821 1.00 1.00 ATOM 80 CA ILE 77 24.507 12.667 200.996 1.00 1.00 ATOM 81 CA SER 78 25.732 12.311 204.614 1.00 1.00 ATOM 82 CA LYS 79 26.367 8.582 204.203 1.00 1.00 ATOM 83 CA LEU 80 29.484 6.726 205.414 1.00 1.00 ATOM 84 CA ILE 81 30.487 4.681 202.350 1.00 1.00 ATOM 85 CA THR 82 33.421 2.828 203.871 1.00 1.00 ATOM 86 CA THR 83 31.547 -0.484 203.497 1.00 1.00 ATOM 87 CA ASN 84 30.704 0.069 199.850 1.00 1.00 ATOM 88 CA PHE 85 32.778 -2.510 198.004 1.00 1.00 ATOM 89 CA VAL 86 34.154 -2.337 194.476 1.00 1.00 ATOM 90 CA TYR 87 33.715 -5.691 192.711 1.00 1.00 ATOM 91 CA VAL 88 36.415 -6.275 190.062 1.00 1.00 ATOM 92 CA GLU 89 35.097 -7.578 186.752 1.00 1.00 ATOM 93 CA GLY 90 31.399 -6.834 187.148 1.00 1.00 ATOM 94 CA GLU 91 29.234 -3.867 186.164 1.00 1.00 ATOM 95 CA THR 92 27.150 -1.698 188.437 1.00 1.00 ATOM 96 CA ARG 93 23.531 -2.725 188.621 1.00 1.00 ATOM 97 CA GLU 94 21.077 -1.246 186.136 1.00 1.00 ATOM 98 CA ASN 95 17.396 -0.405 186.120 1.00 1.00 ATOM 99 CA ILE 96 15.238 0.373 183.099 1.00 1.00 ATOM 100 CA GLU 97 12.216 2.512 183.950 1.00 1.00 ATOM 101 CA ILE 98 9.061 3.857 182.291 1.00 1.00 ATOM 102 CA ILE 99 7.124 6.705 183.995 1.00 1.00 ATOM 103 CA ASP 100 3.661 7.518 182.501 1.00 1.00 ATOM 104 CA LYS 102 1.570 10.682 182.738 1.00 1.00 ATOM 105 CA ASN 103 0.036 9.837 186.123 1.00 1.00 ATOM 106 CA LYS 104 3.576 9.411 187.431 1.00 1.00 ATOM 107 CA THR 105 3.125 5.649 187.711 1.00 1.00 ATOM 108 CA ILE 106 6.189 3.560 186.915 1.00 1.00 ATOM 109 CA THR 107 7.397 0.175 185.639 1.00 1.00 ATOM 110 CA ALA 108 10.854 -1.084 186.494 1.00 1.00 ATOM 111 CA ILE 109 13.111 -3.888 185.271 1.00 1.00 ATOM 112 CA ASN 110 16.526 -4.675 186.749 1.00 1.00 ATOM 113 CA PHE 111 19.881 -6.241 186.069 1.00 1.00 ATOM 114 CA PRO 112 21.596 -7.115 189.281 1.00 1.00 ATOM 115 CA GLY 113 25.220 -6.840 188.178 1.00 1.00 ATOM 116 CA PRO 114 27.571 -6.239 191.113 1.00 1.00 ATOM 117 CA ASP 115 24.616 -6.260 193.513 1.00 1.00 ATOM 118 CA VAL 116 24.582 -10.051 193.226 1.00 1.00 ATOM 119 CA THR 117 27.994 -10.256 194.831 1.00 1.00 ATOM 120 CA ASP 118 26.995 -8.654 198.122 1.00 1.00 ATOM 121 CA MET 119 27.680 -11.977 199.857 1.00 1.00 ATOM 122 CA ASP 120 27.566 -13.623 203.277 1.00 1.00 ATOM 123 CA VAL 121 31.318 -13.196 203.292 1.00 1.00 ATOM 124 CA ASN 122 31.025 -9.464 202.845 1.00 1.00 ATOM 125 CA LEU 125 28.288 -9.429 205.449 1.00 1.00 ATOM 126 CA ARG 126 30.542 -11.233 207.941 1.00 1.00 ATOM 127 CA ARG 127 33.282 -8.722 207.362 1.00 1.00 ATOM 128 CA TYR 128 30.908 -6.079 208.722 1.00 1.00 ATOM 129 CA LYS 129 29.928 -8.061 211.819 1.00 1.00 ATOM 130 CA MET 130 31.148 -5.387 214.268 1.00 1.00 ATOM 131 CA THR 131 29.491 -2.514 212.366 1.00 1.00 ATOM 132 CA LEU 132 26.150 -4.304 212.374 1.00 1.00 ATOM 133 CA SER 133 26.614 -5.508 215.921 1.00 1.00 ATOM 134 CA LYS 134 27.264 -1.974 217.115 1.00 1.00 ATOM 135 CA VAL 135 24.323 -0.391 215.233 1.00 1.00 ATOM 136 CA ASP 136 21.057 0.648 216.829 1.00 1.00 ATOM 137 CA CYS 137 19.347 -0.580 213.639 1.00 1.00 ATOM 138 CA VAL 138 19.749 -2.487 210.402 1.00 1.00 ATOM 139 CA VAL 139 17.563 -1.608 207.387 1.00 1.00 ATOM 140 CA ILE 140 17.357 -3.898 204.333 1.00 1.00 ATOM 141 CA SER 141 15.380 -4.633 201.206 1.00 1.00 ATOM 142 CA GLY 142 15.220 -7.637 198.881 1.00 1.00 ATOM 143 CA SER 143 17.275 -6.509 195.890 1.00 1.00 ATOM 144 CA ILE 144 20.266 -8.194 197.483 1.00 1.00 ATOM 145 CA PRO 145 20.936 -11.945 197.774 1.00 1.00 ATOM 146 CA GLU 150 18.529 -13.465 200.303 1.00 1.00 ATOM 147 CA GLY 151 21.409 -15.427 201.938 1.00 1.00 ATOM 148 CA ILE 152 23.102 -12.157 202.633 1.00 1.00 ATOM 149 CA CYS 153 20.006 -10.497 204.128 1.00 1.00 ATOM 150 CA ASN 154 19.523 -13.529 206.373 1.00 1.00 ATOM 151 CA GLU 155 23.172 -13.391 207.414 1.00 1.00 ATOM 152 CA LEU 156 22.882 -9.752 208.446 1.00 1.00 ATOM 153 CA VAL 157 19.604 -10.386 210.253 1.00 1.00 ATOM 154 CA ARG 158 21.193 -13.193 212.388 1.00 1.00 ATOM 155 CA LEU 159 23.994 -10.853 213.410 1.00 1.00 ATOM 156 CA ALA 160 21.576 -8.016 214.216 1.00 1.00 ATOM 157 CA ARG 161 19.307 -10.252 216.259 1.00 1.00 ATOM 158 CA GLU 162 22.184 -11.619 218.316 1.00 1.00 ATOM 159 CA ARG 163 23.432 -8.155 219.141 1.00 1.00 ATOM 160 CA GLY 164 20.124 -6.404 219.928 1.00 1.00 ATOM 161 CA VAL 165 20.241 -4.380 216.725 1.00 1.00 ATOM 162 CA PHE 166 16.783 -3.587 215.309 1.00 1.00 ATOM 163 CA VAL 167 16.044 -5.363 212.018 1.00 1.00 ATOM 164 CA PHE 168 13.836 -3.325 209.656 1.00 1.00 ATOM 165 CA VAL 169 12.927 -5.063 206.419 1.00 1.00 ATOM 166 CA GLU 170 11.258 -3.521 203.378 1.00 1.00 ATOM 167 CA GLN 171 10.258 -6.718 201.591 1.00 1.00 ATOM 168 CA THR 172 10.548 -5.355 198.070 1.00 1.00 ATOM 169 CA PRO 173 10.515 -6.366 195.446 1.00 1.00 ATOM 170 CA ARG 174 7.733 -8.784 196.366 1.00 1.00 ATOM 171 CA LEU 175 8.322 -12.480 196.932 1.00 1.00 ATOM 172 CA LEU 176 7.918 -15.136 199.591 1.00 1.00 ATOM 173 CA GLU 177 10.251 -15.148 202.535 1.00 1.00 ATOM 174 CA ILE 179 11.094 -18.108 204.709 1.00 1.00 ATOM 175 CA TYR 180 9.720 -18.171 208.241 1.00 1.00 ATOM 176 CA GLU 181 13.279 -18.353 209.523 1.00 1.00 ATOM 177 CA GLY 182 13.997 -14.836 208.209 1.00 1.00 ATOM 178 CA PRO 183 10.633 -13.374 209.181 1.00 1.00 ATOM 179 CA GLU 184 11.290 -14.407 212.813 1.00 1.00 ATOM 180 CA PHE 185 14.242 -12.037 213.093 1.00 1.00 ATOM 181 CA PRO 186 12.476 -8.958 211.722 1.00 1.00 ATOM 182 CA ASN 187 11.449 -6.286 214.235 1.00 1.00 ATOM 183 CA VAL 188 9.760 -3.913 211.766 1.00 1.00 ATOM 184 CA VAL 189 8.422 -4.792 208.300 1.00 1.00 ATOM 185 CA LYS 190 6.952 -2.376 205.721 1.00 1.00 ATOM 186 CA PRO 191 5.138 -4.231 202.902 1.00 1.00 ATOM 187 CA ASP 192 2.785 -2.585 200.443 1.00 1.00 ATOM 188 CA LEU 193 -0.540 -4.307 199.692 1.00 1.00 ATOM 189 CA ARG 194 0.862 -6.537 197.008 1.00 1.00 ATOM 190 CA GLY 195 3.715 -7.533 199.267 1.00 1.00 ATOM 191 CA ASN 196 1.526 -8.179 202.254 1.00 1.00 ATOM 192 CA ALA 198 -0.477 -10.419 199.984 1.00 1.00 ATOM 193 CA SER 199 2.426 -12.451 198.741 1.00 1.00 ATOM 194 CA PHE 200 3.698 -12.794 202.296 1.00 1.00 ATOM 195 CA LEU 201 0.452 -13.727 204.109 1.00 1.00 ATOM 196 CA GLY 202 -1.946 -14.961 201.440 1.00 1.00 ATOM 197 CA VAL 203 -4.460 -12.273 202.335 1.00 1.00 ATOM 198 CA ASP 204 -5.483 -9.691 199.732 1.00 1.00 ATOM 199 CA LEU 205 -5.399 -6.259 201.315 1.00 1.00 ATOM 200 CA LYS 206 -8.114 -3.898 200.102 1.00 1.00 ATOM 201 CA THR 207 -9.480 -2.258 203.242 1.00 1.00 ATOM 202 CA PHE 208 -8.507 -1.583 206.818 1.00 1.00 ATOM 203 CA ASP 209 -9.895 -4.884 208.057 1.00 1.00 ATOM 204 CA ASP 210 -8.003 -7.022 205.511 1.00 1.00 ATOM 205 CA TYR 211 -4.803 -5.236 206.495 1.00 1.00 ATOM 206 CA VAL 212 -5.360 -6.029 210.137 1.00 1.00 ATOM 207 CA LYS 213 -5.688 -9.738 209.202 1.00 1.00 ATOM 208 CA LEU 214 -2.494 -9.647 207.138 1.00 1.00 ATOM 209 CA ALA 215 -0.714 -7.867 209.945 1.00 1.00 ATOM 210 CA GLU 216 -1.795 -10.579 212.421 1.00 1.00 ATOM 211 CA LYS 217 -0.168 -13.225 210.234 1.00 1.00 ATOM 212 CA LEU 218 3.078 -11.235 210.314 1.00 1.00 ATOM 213 CA ALA 219 2.905 -10.735 214.083 1.00 1.00 ATOM 214 CA GLU 220 2.289 -14.511 214.534 1.00 1.00 ATOM 215 CA LYS 221 5.422 -15.166 212.479 1.00 1.00 ATOM 216 CA SER 222 7.134 -13.065 215.115 1.00 1.00 ATOM 218 CA GLN 223 6.304 -7.156 216.449 1.00 1.00 ATOM 219 CA VAL 224 5.730 -4.016 214.282 1.00 1.00 ATOM 220 CA SER 225 3.986 -4.173 210.920 1.00 1.00 ATOM 221 CA VAL 226 3.279 -1.190 208.684 1.00 1.00 ATOM 222 CA VAL 227 1.298 -1.869 205.510 1.00 1.00 ATOM 223 CA SER 228 1.241 0.883 202.925 1.00 1.00 ATOM 224 CA TYR 229 -2.247 1.276 201.506 1.00 1.00 ATOM 225 CA GLU 230 -1.480 3.611 198.623 1.00 1.00 ATOM 226 CA VAL 231 -3.353 6.898 198.884 1.00 1.00 ATOM 227 CA LYS 232 -4.998 5.803 202.099 1.00 1.00 ATOM 228 CA ASN 233 -1.806 6.034 204.102 1.00 1.00 ATOM 229 CA ASP 234 -0.428 3.132 206.068 1.00 1.00 ATOM 230 CA ILE 235 -1.846 0.590 208.530 1.00 1.00 ATOM 231 CA VAL 236 0.352 0.707 211.637 1.00 1.00 ATOM 232 CA ALA 237 0.196 -2.369 213.820 1.00 1.00 ATOM 233 CA THR 238 2.097 -3.234 217.004 1.00 1.00 ATOM 234 CA ARG 239 1.378 -6.771 218.235 1.00 1.00 ATOM 235 CA GLU 240 -2.206 -6.565 217.052 1.00 1.00 ATOM 236 CA GLY 241 -2.967 -3.017 218.105 1.00 1.00 ATOM 237 CA VAL 242 -3.486 -1.413 214.705 1.00 1.00 ATOM 238 CA TRP 243 -4.545 1.979 213.351 1.00 1.00 ATOM 239 CA LEU 244 -4.626 3.775 210.024 1.00 1.00 ATOM 240 CA ARG 246 -2.218 6.691 209.676 1.00 1.00 ATOM 241 CA SER 247 -3.106 8.794 206.588 1.00 1.00 ATOM 242 CA LYS 248 -0.491 10.388 204.335 1.00 1.00 ATOM 243 CA GLU 249 -0.451 13.852 202.837 1.00 1.00 ATOM 244 CA GLU 250 -2.019 13.760 199.373 1.00 1.00 ATOM 245 CA ILE 251 -0.384 15.875 196.703 1.00 1.00 ATOM 246 CA ASP 252 -0.302 15.881 192.916 1.00 1.00 ATOM 247 CA THR 253 2.390 13.321 192.027 1.00 1.00 ATOM 248 CA SER 254 4.802 13.789 189.117 1.00 1.00 ATOM 249 CA HIS 255 6.840 10.631 189.698 1.00 1.00 ATOM 250 CA LEU 256 6.460 7.977 192.392 1.00 1.00 ATOM 251 CA LEU 257 9.816 6.278 191.947 1.00 1.00 ATOM 252 CA GLY 258 11.375 5.823 195.384 1.00 1.00 ATOM 253 CA ALA 259 8.399 7.077 197.354 1.00 1.00 ATOM 254 CA GLY 260 8.548 3.796 199.303 1.00 1.00 ATOM 255 CA ASP 261 12.304 4.071 199.545 1.00 1.00 ATOM 256 CA ALA 262 12.077 7.580 200.973 1.00 1.00 ATOM 257 CA TYR 263 9.374 6.540 203.377 1.00 1.00 ATOM 258 CA VAL 264 11.536 3.733 204.813 1.00 1.00 ATOM 259 CA ALA 265 14.723 5.760 205.206 1.00 1.00 ATOM 260 CA GLY 266 12.985 8.696 206.899 1.00 1.00 ATOM 261 CA MET 267 10.859 6.450 209.100 1.00 1.00 ATOM 262 CA VAL 268 13.955 4.782 210.601 1.00 1.00 ATOM 263 CA TYR 269 15.682 8.159 211.099 1.00 1.00 ATOM 264 CA TYR 270 12.687 9.448 213.029 1.00 1.00 ATOM 265 CA PHE 271 12.384 6.288 215.109 1.00 1.00 ATOM 266 CA ILE 272 16.052 6.401 216.017 1.00 1.00 ATOM 267 CA LYS 273 15.376 9.957 217.143 1.00 1.00 ATOM 268 CA GLY 275 12.957 8.531 219.700 1.00 1.00 ATOM 269 CA ALA 276 9.771 9.843 218.072 1.00 1.00 ATOM 270 CA ASN 277 6.901 7.511 218.861 1.00 1.00 ATOM 271 CA PHE 278 5.583 5.454 215.957 1.00 1.00 ATOM 272 CA LEU 279 2.705 7.652 214.734 1.00 1.00 ATOM 273 CA GLU 280 4.907 10.751 214.732 1.00 1.00 ATOM 274 CA MET 281 7.662 8.813 212.940 1.00 1.00 ATOM 275 CA ALA 282 5.193 7.567 210.316 1.00 1.00 ATOM 276 CA LYS 283 4.036 11.148 209.854 1.00 1.00 ATOM 277 CA PHE 284 7.572 12.447 209.320 1.00 1.00 ATOM 278 CA GLY 285 8.048 9.619 206.847 1.00 1.00 ATOM 279 CA PHE 286 4.829 10.538 205.084 1.00 1.00 ATOM 280 CA ALA 287 5.952 14.144 204.715 1.00 1.00 ATOM 281 CA SER 288 9.296 13.078 203.261 1.00 1.00 ATOM 282 CA ALA 289 7.634 10.780 200.717 1.00 1.00 ATOM 283 CA LEU 290 5.099 13.462 199.685 1.00 1.00 ATOM 284 CA ALA 291 7.906 15.819 198.747 1.00 1.00 ATOM 285 CA ALA 292 9.612 12.973 196.929 1.00 1.00 ATOM 286 CA THR 293 6.613 12.336 194.692 1.00 1.00 ATOM 287 CA ARG 294 6.714 15.961 193.504 1.00 1.00 ATOM 288 CA ARG 295 10.252 15.708 192.083 1.00 1.00 ATOM 289 CA LYS 296 11.712 13.759 189.119 1.00 1.00 ATOM 290 CA GLU 297 13.875 10.650 189.366 1.00 1.00 ATOM 291 CA LYS 298 14.872 8.585 192.376 1.00 1.00 ATOM 294 CA TYR 299 13.865 13.479 194.483 1.00 1.00 ATOM 295 CA MET 300 14.830 12.645 198.046 1.00 1.00 ATOM 296 CA PRO 301 14.387 15.683 200.319 1.00 1.00 ATOM 297 CA ASP 302 16.622 17.076 203.070 1.00 1.00 ATOM 298 CA LEU 303 15.725 17.394 206.731 1.00 1.00 ATOM 299 CA GLU 304 15.069 21.148 206.523 1.00 1.00 ATOM 300 CA ALA 305 12.563 20.643 203.727 1.00 1.00 ATOM 301 CA ILE 306 10.838 17.741 205.495 1.00 1.00 ATOM 302 CA LYS 307 10.470 19.867 208.621 1.00 1.00 ATOM 303 CA LYS 308 9.095 22.911 206.842 1.00 1.00 ATOM 304 CA GLU 309 6.493 20.723 205.156 1.00 1.00 ATOM 305 CA TYR 310 5.592 18.978 208.407 1.00 1.00 ATOM 306 CA ASP 311 5.405 22.192 210.439 1.00 1.00 ATOM 307 CA HIS 312 2.546 23.245 208.187 1.00 1.00 ATOM 308 CA PHE 313 0.684 19.982 208.656 1.00 1.00 ATOM 309 CA THR 314 0.876 19.581 212.419 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:38:30 2002 Date: Thu, 22 Aug 2002 13:38:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0189 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 13:10:16 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_253571_31431 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0189TS007_4 Current information on models submitted in prediction T0189TS007 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_4 PIN_253571_31431 6269-7633-6117 08/22/02 13:10:16 casp5@bialko.llnl.gov T0189TS007_5 PIN_244369_31429 6269-7633-6117 08/22/02 13:09:24 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 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 T0189 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_4 PIN_253571_31431 6269-7633-6117 08/22/02 13:10:16 casp5@bialko.llnl.gov T0189TS007_5 PIN_244369_31429 6269-7633-6117 08/22/02 13:09:24 casp5@bialko.llnl.gov T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1GQT_D # Loading PARENT structure: 1gqt (chain: D) # Number of residues in PARENT structure: 305 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue N 8 # IMPORTANT NOTE! Not complete main chain atoms for residue P 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue R 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue S 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue I 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue S 46 # IMPORTANT NOTE! Not complete main chain atoms for residue I 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue S 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue P 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue F 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue N 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue P 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue D 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue N 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue G 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue C 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue N 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue K 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue G 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue S 199 # IMPORTANT NOTE! Not complete main chain atoms for residue F 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue D 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue K 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue D 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue E 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue S 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue V 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue V 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue R 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue W 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue S 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue E 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue H 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue D 261 # IMPORTANT NOTE! Not complete main chain atoms for residue A 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # IMPORTANT NOTE! Not complete main chain atoms for residue A 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue M 267 # IMPORTANT NOTE! Not complete main chain atoms for residue V 268 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 269 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 270 # IMPORTANT NOTE! Not complete main chain atoms for residue F 271 # IMPORTANT NOTE! Not complete main chain atoms for residue I 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue N 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue E 280 # IMPORTANT NOTE! Not complete main chain atoms for residue M 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue A 287 # IMPORTANT NOTE! Not complete main chain atoms for residue S 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue T 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue K 296 # IMPORTANT NOTE! Not complete main chain atoms for residue E 297 # IMPORTANT NOTE! Not complete main chain atoms for residue K 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue P 301 # IMPORTANT NOTE! Not complete main chain atoms for residue D 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue E 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue I 306 # IMPORTANT NOTE! Not complete main chain atoms for residue K 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 310 # IMPORTANT NOTE! Not complete main chain atoms for residue D 311 # IMPORTANT NOTE! Not complete main chain atoms for residue H 312 # IMPORTANT NOTE! Not complete main chain atoms for residue F 313 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0189 # Total number of residues in target: 319 # Total number of residues in model: 298 # Total number of atoms in model: 298 # Number of atoms with 1.0 occupancy: 298 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 298 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0189 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1GQT_D ATOM 7 CA LEU 3 21.233 3.117 148.091 1.00 1.00 ATOM 8 CA THR 4 20.695 6.013 150.483 1.00 1.00 ATOM 9 CA VAL 5 19.136 5.144 153.845 1.00 1.00 ATOM 10 CA THR 6 17.919 7.964 156.035 1.00 1.00 ATOM 11 CA LEU 7 16.874 7.209 159.565 1.00 1.00 ATOM 12 CA ASN 8 17.658 6.901 163.224 1.00 1.00 ATOM 13 CA PRO 9 20.497 5.593 165.319 1.00 1.00 ATOM 14 CA ALA 10 19.869 4.274 168.850 1.00 1.00 ATOM 15 CA LEU 11 21.744 2.811 171.739 1.00 1.00 ATOM 16 CA ASP 12 19.674 -0.247 172.707 1.00 1.00 ATOM 17 CA ARG 13 19.423 -1.325 176.330 1.00 1.00 ATOM 18 CA GLU 14 17.862 -4.792 176.328 1.00 1.00 ATOM 19 CA ILE 15 16.726 -6.557 179.464 1.00 1.00 ATOM 20 CA PHE 16 15.495 -10.115 179.108 1.00 1.00 ATOM 21 CA ILE 17 12.860 -10.980 181.720 1.00 1.00 ATOM 22 CA GLU 18 10.346 -13.707 182.517 1.00 1.00 ATOM 23 CA ASP 19 7.368 -11.368 182.296 1.00 1.00 ATOM 24 CA PHE 20 6.604 -7.694 181.712 1.00 1.00 ATOM 25 CA GLN 21 6.913 -5.483 184.756 1.00 1.00 ATOM 26 CA VAL 22 3.579 -4.373 186.121 1.00 1.00 ATOM 27 CA ASN 23 3.032 -0.886 187.513 1.00 1.00 ATOM 28 CA ARG 24 4.416 -0.423 191.022 1.00 1.00 ATOM 29 CA LEU 25 6.000 -3.794 190.336 1.00 1.00 ATOM 30 CA TYR 26 9.790 -4.212 190.093 1.00 1.00 ATOM 31 CA ARG 27 10.981 -7.308 188.208 1.00 1.00 ATOM 32 CA ASP 30 14.515 -8.769 187.931 1.00 1.00 ATOM 33 CA LEU 31 15.938 -9.528 184.512 1.00 1.00 ATOM 34 CA SER 32 18.055 -12.523 183.592 1.00 1.00 ATOM 35 CA LYS 33 20.269 -11.061 180.882 1.00 1.00 ATOM 36 CA THR 34 21.313 -7.509 179.944 1.00 1.00 ATOM 37 CA GLN 35 22.889 -6.219 176.736 1.00 1.00 ATOM 38 CA MET 36 23.667 -2.742 175.395 1.00 1.00 ATOM 39 CA SER 37 23.939 -2.745 171.601 1.00 1.00 ATOM 40 CA PRO 38 23.554 -0.511 168.575 1.00 1.00 ATOM 41 CA GLY 39 20.023 -0.191 167.276 1.00 1.00 ATOM 42 CA GLY 40 17.695 2.287 165.670 1.00 1.00 ATOM 43 CA LYS 41 15.516 1.289 162.696 1.00 1.00 ATOM 44 CA GLY 42 17.416 3.425 160.201 1.00 1.00 ATOM 45 CA ILE 43 20.791 2.119 161.296 1.00 1.00 ATOM 46 CA ASN 44 19.536 -1.467 161.581 1.00 1.00 ATOM 47 CA VAL 45 18.254 -1.196 158.033 1.00 1.00 ATOM 48 CA SER 46 21.514 0.352 156.812 1.00 1.00 ATOM 49 CA ILE 47 23.542 -2.429 158.445 1.00 1.00 ATOM 50 CA ALA 48 21.299 -5.068 156.924 1.00 1.00 ATOM 51 CA LEU 49 21.751 -3.448 153.484 1.00 1.00 ATOM 52 CA SER 50 25.477 -2.913 153.896 1.00 1.00 ATOM 53 CA LYS 51 26.245 -6.334 155.285 1.00 1.00 ATOM 54 CA LEU 52 24.095 -7.959 152.619 1.00 1.00 ATOM 55 CA GLY 53 26.093 -6.164 149.954 1.00 1.00 ATOM 56 CA VAL 54 24.352 -2.964 148.887 1.00 1.00 ATOM 57 CA PRO 55 26.215 0.151 147.799 1.00 1.00 ATOM 58 CA SER 56 24.737 2.253 150.585 1.00 1.00 ATOM 59 CA VAL 57 25.145 5.604 152.279 1.00 1.00 ATOM 60 CA ALA 58 23.410 6.653 155.500 1.00 1.00 ATOM 61 CA THR 59 21.901 10.001 156.371 1.00 1.00 ATOM 62 CA GLY 60 21.471 10.329 160.169 1.00 1.00 ATOM 63 CA PHE 61 22.508 12.162 163.383 1.00 1.00 ATOM 64 CA VAL 62 24.232 11.060 166.555 1.00 1.00 ATOM 65 CA GLY 63 24.942 13.288 169.545 1.00 1.00 ATOM 66 CA GLY 64 28.437 14.445 170.439 1.00 1.00 ATOM 67 CA TYR 65 28.717 11.788 173.136 1.00 1.00 ATOM 69 CA MET 66 28.297 6.281 172.364 1.00 1.00 ATOM 70 CA GLY 67 27.936 8.485 169.276 1.00 1.00 ATOM 71 CA LYS 68 31.585 8.057 168.370 1.00 1.00 ATOM 72 CA ILE 69 31.431 4.343 169.022 1.00 1.00 ATOM 73 CA LEU 70 28.487 3.825 166.681 1.00 1.00 ATOM 74 CA VAL 71 29.915 5.883 163.830 1.00 1.00 ATOM 75 CA GLU 72 33.074 3.849 164.171 1.00 1.00 ATOM 76 CA GLU 73 31.062 0.654 164.017 1.00 1.00 ATOM 77 CA LEU 74 28.760 1.709 161.150 1.00 1.00 ATOM 78 CA ARG 75 31.865 2.278 159.052 1.00 1.00 ATOM 79 CA LYS 76 32.942 -1.350 159.368 1.00 1.00 ATOM 80 CA ILE 77 29.541 -2.497 158.196 1.00 1.00 ATOM 81 CA SER 78 30.216 -1.527 154.530 1.00 1.00 ATOM 82 CA LYS 79 28.314 1.730 154.967 1.00 1.00 ATOM 83 CA LEU 80 29.501 5.099 153.743 1.00 1.00 ATOM 84 CA ILE 81 28.932 7.246 156.850 1.00 1.00 ATOM 85 CA THR 82 29.967 10.586 155.316 1.00 1.00 ATOM 86 CA THR 83 26.395 11.995 155.708 1.00 1.00 ATOM 87 CA ASN 84 26.095 11.024 159.367 1.00 1.00 ATOM 88 CA PHE 85 26.039 14.278 161.304 1.00 1.00 ATOM 89 CA VAL 86 27.190 14.978 164.873 1.00 1.00 ATOM 90 CA TYR 87 24.896 17.249 166.876 1.00 1.00 ATOM 91 CA VAL 88 26.603 19.502 169.419 1.00 1.00 ATOM 92 CA GLU 89 25.051 19.497 172.858 1.00 1.00 ATOM 93 CA GLY 90 22.662 16.678 172.066 1.00 1.00 ATOM 94 CA GLU 91 22.883 13.067 173.169 1.00 1.00 ATOM 95 CA THR 92 22.480 10.068 170.913 1.00 1.00 ATOM 96 CA ARG 93 19.206 8.232 170.621 1.00 1.00 ATOM 97 CA GLU 94 18.378 5.592 173.217 1.00 1.00 ATOM 98 CA ASN 95 16.043 2.624 173.380 1.00 1.00 ATOM 99 CA ILE 96 14.897 0.864 176.556 1.00 1.00 ATOM 100 CA GLU 97 13.695 -2.593 175.579 1.00 1.00 ATOM 101 CA ILE 98 11.995 -5.343 177.617 1.00 1.00 ATOM 102 CA ILE 99 11.809 -8.862 176.168 1.00 1.00 ATOM 103 CA ASP 100 9.456 -11.379 177.814 1.00 1.00 ATOM 104 CA LYS 102 9.794 -15.125 178.329 1.00 1.00 ATOM 105 CA ASN 103 7.453 -15.546 175.357 1.00 1.00 ATOM 106 CA LYS 104 9.712 -13.381 173.167 1.00 1.00 ATOM 107 CA THR 105 7.475 -10.323 172.826 1.00 1.00 ATOM 108 CA ILE 106 9.145 -6.926 173.240 1.00 1.00 ATOM 109 CA THR 107 8.125 -3.426 174.235 1.00 1.00 ATOM 110 CA ALA 108 10.202 -0.422 173.185 1.00 1.00 ATOM 111 CA ILE 109 10.429 3.031 174.673 1.00 1.00 ATOM 112 CA ASN 110 12.430 5.560 172.682 1.00 1.00 ATOM 113 CA PHE 111 14.256 8.785 173.385 1.00 1.00 ATOM 114 CA PRO 112 14.698 10.454 169.999 1.00 1.00 ATOM 115 CA GLY 113 17.716 12.523 171.074 1.00 1.00 ATOM 116 CA PRO 114 19.863 13.658 168.157 1.00 1.00 ATOM 117 CA ASP 115 17.450 11.822 165.877 1.00 1.00 ATOM 118 CA VAL 116 15.038 14.699 166.316 1.00 1.00 ATOM 119 CA THR 117 17.629 17.002 164.874 1.00 1.00 ATOM 120 CA ASP 118 17.488 15.227 161.451 1.00 1.00 ATOM 121 CA MET 119 15.804 18.256 159.901 1.00 1.00 ATOM 122 CA ASP 120 14.596 19.409 156.504 1.00 1.00 ATOM 123 CA VAL 121 17.647 21.653 156.321 1.00 1.00 ATOM 124 CA ASN 122 19.915 18.601 156.672 1.00 1.00 ATOM 125 CA LEU 125 17.990 16.711 154.036 1.00 1.00 ATOM 126 CA ARG 126 18.429 19.697 151.696 1.00 1.00 ATOM 127 CA ARG 127 22.203 19.512 152.134 1.00 1.00 ATOM 128 CA TYR 128 22.081 15.978 150.805 1.00 1.00 ATOM 129 CA LYS 129 20.073 16.985 147.674 1.00 1.00 ATOM 130 CA MET 130 22.617 15.775 145.137 1.00 1.00 ATOM 131 CA THR 131 23.148 12.475 146.911 1.00 1.00 ATOM 132 CA LEU 132 19.467 11.663 146.917 1.00 1.00 ATOM 133 CA SER 133 19.068 12.831 143.341 1.00 1.00 ATOM 134 CA LYS 134 21.856 10.590 142.092 1.00 1.00 ATOM 135 CA VAL 135 20.735 7.530 144.076 1.00 1.00 ATOM 136 CA ASP 136 18.805 4.592 142.713 1.00 1.00 ATOM 137 CA CYS 137 16.736 4.225 145.865 1.00 1.00 ATOM 138 CA VAL 138 15.854 5.977 149.119 1.00 1.00 ATOM 139 CA VAL 139 14.892 3.846 152.187 1.00 1.00 ATOM 140 CA ILE 140 13.170 5.429 155.180 1.00 1.00 ATOM 141 CA SER 141 11.236 4.618 158.356 1.00 1.00 ATOM 142 CA GLY 142 9.236 6.674 160.777 1.00 1.00 ATOM 143 CA SER 143 11.669 7.220 163.648 1.00 1.00 ATOM 144 CA ILE 144 12.743 10.508 162.015 1.00 1.00 ATOM 145 CA PRO 145 10.761 13.765 161.850 1.00 1.00 ATOM 146 CA GLU 150 8.009 13.124 159.334 1.00 1.00 ATOM 147 CA GLY 151 8.871 16.509 157.848 1.00 1.00 ATOM 148 CA ILE 152 12.314 15.316 156.831 1.00 1.00 ATOM 149 CA CYS 153 10.879 12.050 155.577 1.00 1.00 ATOM 150 CA ASN 154 8.577 14.190 153.389 1.00 1.00 ATOM 151 CA GLU 155 11.235 16.586 152.144 1.00 1.00 ATOM 152 CA LEU 156 13.519 13.715 151.105 1.00 1.00 ATOM 153 CA VAL 157 10.799 11.733 149.398 1.00 1.00 ATOM 154 CA ARG 158 9.967 14.870 147.426 1.00 1.00 ATOM 155 CA LEU 159 13.562 15.190 146.232 1.00 1.00 ATOM 156 CA ALA 160 13.701 11.524 145.324 1.00 1.00 ATOM 157 CA ARG 161 10.401 11.730 143.467 1.00 1.00 ATOM 158 CA GLU 162 11.640 14.673 141.473 1.00 1.00 ATOM 159 CA ARG 163 14.689 12.678 140.326 1.00 1.00 ATOM 160 CA GLY 164 13.339 9.207 139.629 1.00 1.00 ATOM 161 CA VAL 165 14.939 7.757 142.779 1.00 1.00 ATOM 162 CA PHE 166 12.765 4.833 144.025 1.00 1.00 ATOM 163 CA VAL 167 11.171 5.648 147.411 1.00 1.00 ATOM 164 CA PHE 168 10.934 2.638 149.727 1.00 1.00 ATOM 165 CA VAL 169 9.110 3.186 152.994 1.00 1.00 ATOM 166 CA GLU 170 8.866 0.964 156.019 1.00 1.00 ATOM 167 CA GLN 171 6.145 2.745 158.049 1.00 1.00 ATOM 168 CA THR 172 7.290 1.636 161.495 1.00 1.00 ATOM 169 CA PRO 173 6.631 2.296 164.227 1.00 1.00 ATOM 170 CA ARG 174 2.925 2.328 163.359 1.00 1.00 ATOM 171 CA LEU 175 1.255 5.716 162.759 1.00 1.00 ATOM 172 CA LEU 176 -1.018 7.430 160.258 1.00 1.00 ATOM 173 CA GLU 177 0.498 9.184 157.244 1.00 1.00 ATOM 174 CA ILE 179 -0.738 12.009 155.028 1.00 1.00 ATOM 175 CA TYR 180 -1.773 10.934 151.514 1.00 1.00 ATOM 176 CA GLU 181 0.698 13.548 150.283 1.00 1.00 ATOM 177 CA GLY 182 3.510 11.359 151.537 1.00 1.00 ATOM 178 CA PRO 183 1.891 8.127 150.598 1.00 1.00 ATOM 179 CA GLU 184 1.645 9.263 146.997 1.00 1.00 ATOM 180 CA PHE 185 5.416 9.664 146.705 1.00 1.00 ATOM 181 CA PRO 186 6.000 6.043 147.601 1.00 1.00 ATOM 182 CA ASN 187 6.906 3.226 145.227 1.00 1.00 ATOM 183 CA VAL 188 7.491 0.368 147.740 1.00 1.00 ATOM 184 CA VAL 189 5.955 0.108 151.214 1.00 1.00 ATOM 185 CA LYS 190 6.443 -2.709 153.791 1.00 1.00 ATOM 186 CA PRO 191 3.799 -2.676 156.550 1.00 1.00 ATOM 187 CA ASP 192 3.240 -5.429 158.992 1.00 1.00 ATOM 188 CA LEU 193 -0.367 -6.215 159.962 1.00 1.00 ATOM 189 CA ARG 194 -0.700 -3.463 162.563 1.00 1.00 ATOM 190 CA GLY 195 0.668 -0.774 160.278 1.00 1.00 ATOM 191 CA ASN 196 -1.457 -2.112 157.424 1.00 1.00 ATOM 192 CA ALA 198 -4.534 -1.487 159.528 1.00 1.00 ATOM 193 CA SER 199 -3.549 1.922 160.856 1.00 1.00 ATOM 194 CA PHE 200 -2.986 2.906 157.219 1.00 1.00 ATOM 195 CA LEU 201 -6.004 1.409 155.527 1.00 1.00 ATOM 196 CA GLY 202 -8.405 0.835 158.384 1.00 1.00 ATOM 197 CA VAL 203 -8.452 -2.767 157.140 1.00 1.00 ATOM 198 CA ASP 204 -7.726 -5.516 159.658 1.00 1.00 ATOM 199 CA LEU 205 -5.426 -8.082 158.120 1.00 1.00 ATOM 200 CA LYS 206 -6.234 -11.553 159.401 1.00 1.00 ATOM 201 CA THR 207 -5.779 -13.481 156.165 1.00 1.00 ATOM 202 CA PHE 208 -4.901 -13.560 152.473 1.00 1.00 ATOM 203 CA ASP 209 -8.138 -11.910 151.503 1.00 1.00 ATOM 204 CA ASP 210 -7.733 -9.154 154.060 1.00 1.00 ATOM 205 CA TYR 211 -4.214 -8.497 152.853 1.00 1.00 ATOM 206 CA VAL 212 -5.195 -7.985 149.215 1.00 1.00 ATOM 207 CA LYS 213 -7.942 -5.721 150.501 1.00 1.00 ATOM 208 CA LEU 214 -5.294 -3.903 152.478 1.00 1.00 ATOM 209 CA ALA 215 -2.940 -3.770 149.532 1.00 1.00 ATOM 210 CA GLU 216 -5.511 -2.420 147.067 1.00 1.00 ATOM 211 CA LYS 217 -6.277 0.534 149.301 1.00 1.00 ATOM 212 CA LEU 218 -2.622 1.577 149.376 1.00 1.00 ATOM 213 CA ALA 219 -2.391 0.899 145.664 1.00 1.00 ATOM 214 CA GLU 220 -5.071 3.593 145.463 1.00 1.00 ATOM 215 CA LYS 221 -3.026 6.147 147.315 1.00 1.00 ATOM 216 CA SER 222 -0.121 5.992 144.844 1.00 1.00 ATOM 218 CA GLN 223 2.618 0.347 143.070 1.00 1.00 ATOM 219 CA VAL 224 4.399 -2.202 145.215 1.00 1.00 ATOM 220 CA SER 225 3.001 -3.345 148.551 1.00 1.00 ATOM 221 CA VAL 226 4.385 -6.059 150.753 1.00 1.00 ATOM 222 CA VAL 227 2.458 -6.879 153.875 1.00 1.00 ATOM 223 CA SER 228 4.405 -8.950 156.334 1.00 1.00 ATOM 224 CA TYR 229 2.442 -11.774 157.963 1.00 1.00 ATOM 225 CA GLU 230 5.050 -13.112 160.363 1.00 1.00 ATOM 226 CA VAL 231 4.452 -16.878 160.210 1.00 1.00 ATOM 227 CA LYS 232 2.668 -16.785 156.850 1.00 1.00 ATOM 228 CA ASN 233 5.549 -14.990 155.087 1.00 1.00 ATOM 229 CA ASP 234 4.365 -11.790 153.388 1.00 1.00 ATOM 230 CA ILE 235 1.672 -10.734 150.937 1.00 1.00 ATOM 231 CA VAL 236 3.413 -9.503 147.783 1.00 1.00 ATOM 232 CA ALA 237 1.280 -7.133 145.760 1.00 1.00 ATOM 233 CA THR 238 2.185 -4.912 142.831 1.00 1.00 ATOM 234 CA ARG 239 -0.621 -3.032 141.140 1.00 1.00 ATOM 235 CA GLU 240 -3.225 -5.510 142.460 1.00 1.00 ATOM 236 CA GLY 241 -1.605 -8.801 141.474 1.00 1.00 ATOM 237 CA VAL 242 -1.122 -10.551 144.802 1.00 1.00 ATOM 238 CA TRP 243 0.417 -13.780 146.056 1.00 1.00 ATOM 239 CA LEU 244 1.801 -15.006 149.383 1.00 1.00 ATOM 240 CA ARG 246 5.567 -15.560 149.598 1.00 1.00 ATOM 241 CA SER 247 6.243 -18.055 152.384 1.00 1.00 ATOM 242 CA LYS 248 9.090 -17.415 154.816 1.00 1.00 ATOM 243 CA GLU 249 11.403 -20.020 156.280 1.00 1.00 ATOM 244 CA GLU 250 10.653 -22.575 158.961 1.00 1.00 ATOM 245 CA ILE 251 13.026 -21.752 161.792 1.00 1.00 ATOM 246 CA ASP 252 12.571 -21.444 165.552 1.00 1.00 ATOM 247 CA THR 253 13.425 -17.928 166.696 1.00 1.00 ATOM 248 CA SER 254 15.066 -16.697 169.878 1.00 1.00 ATOM 249 CA HIS 255 14.973 -12.900 169.508 1.00 1.00 ATOM 250 CA LEU 256 12.752 -11.133 166.980 1.00 1.00 ATOM 251 CA LEU 257 13.909 -7.539 167.306 1.00 1.00 ATOM 252 CA GLY 258 15.197 -5.975 164.091 1.00 1.00 ATOM 253 CA ALA 259 13.683 -8.828 162.099 1.00 1.00 ATOM 254 CA GLY 260 11.716 -6.395 159.995 1.00 1.00 ATOM 255 CA ASP 261 14.663 -4.049 159.777 1.00 1.00 ATOM 256 CA ALA 262 16.643 -6.986 158.428 1.00 1.00 ATOM 257 CA TYR 263 13.938 -7.906 155.934 1.00 1.00 ATOM 258 CA VAL 264 13.842 -4.344 154.671 1.00 1.00 ATOM 259 CA ALA 265 17.579 -3.901 154.331 1.00 1.00 ATOM 260 CA GLY 266 18.174 -7.132 152.518 1.00 1.00 ATOM 261 CA MET 267 15.091 -6.670 150.335 1.00 1.00 ATOM 262 CA VAL 268 16.334 -3.375 148.857 1.00 1.00 ATOM 263 CA TYR 269 19.796 -4.822 148.336 1.00 1.00 ATOM 264 CA TYR 270 18.406 -7.690 146.387 1.00 1.00 ATOM 265 CA PHE 271 16.065 -5.419 144.414 1.00 1.00 ATOM 266 CA ILE 272 18.954 -3.136 143.474 1.00 1.00 ATOM 267 CA LYS 273 20.759 -6.159 142.018 1.00 1.00 ATOM 268 CA GLY 275 17.748 -6.550 139.735 1.00 1.00 ATOM 269 CA ALA 276 16.421 -9.717 141.312 1.00 1.00 ATOM 270 CA ASN 277 12.723 -10.144 140.526 1.00 1.00 ATOM 271 CA PHE 278 10.487 -9.331 143.505 1.00 1.00 ATOM 272 CA LEU 279 9.814 -12.960 144.478 1.00 1.00 ATOM 273 CA GLU 280 13.448 -13.945 144.513 1.00 1.00 ATOM 274 CA MET 281 14.181 -10.705 146.355 1.00 1.00 ATOM 275 CA ALA 282 11.751 -11.565 149.081 1.00 1.00 ATOM 276 CA LYS 283 13.154 -15.079 149.346 1.00 1.00 ATOM 277 CA PHE 284 16.577 -13.543 149.818 1.00 1.00 ATOM 278 CA GLY 285 15.211 -11.155 152.394 1.00 1.00 ATOM 279 CA PHE 286 13.308 -13.877 154.282 1.00 1.00 ATOM 280 CA ALA 287 16.578 -15.828 154.596 1.00 1.00 ATOM 281 CA SER 288 18.428 -12.888 156.130 1.00 1.00 ATOM 282 CA ALA 289 15.660 -12.263 158.631 1.00 1.00 ATOM 283 CA LEU 290 15.618 -16.008 159.402 1.00 1.00 ATOM 284 CA ALA 291 19.241 -15.940 160.337 1.00 1.00 ATOM 285 CA ALA 292 18.505 -12.822 162.360 1.00 1.00 ATOM 286 CA THR 293 15.843 -14.376 164.535 1.00 1.00 ATOM 287 CA ARG 294 18.371 -16.941 165.809 1.00 1.00 ATOM 288 CA ARG 295 20.717 -14.236 167.108 1.00 1.00 ATOM 289 CA LYS 296 20.665 -11.841 170.071 1.00 1.00 ATOM 290 CA GLU 297 20.564 -8.050 169.699 1.00 1.00 ATOM 291 CA LYS 298 19.610 -5.736 166.812 1.00 1.00 ATOM 294 CA TYR 299 22.075 -10.171 164.761 1.00 1.00 ATOM 295 CA MET 300 22.134 -8.871 161.135 1.00 1.00 ATOM 296 CA PRO 301 23.707 -11.558 158.895 1.00 1.00 ATOM 297 CA ASP 302 26.404 -11.120 156.223 1.00 1.00 ATOM 298 CA LEU 303 26.059 -11.840 152.511 1.00 1.00 ATOM 299 CA GLU 304 28.205 -14.974 152.623 1.00 1.00 ATOM 300 CA ALA 305 25.888 -16.335 155.326 1.00 1.00 ATOM 301 CA ILE 306 22.583 -15.524 153.625 1.00 1.00 ATOM 302 CA LYS 307 23.737 -17.244 150.452 1.00 1.00 ATOM 303 CA LYS 308 25.072 -20.155 152.481 1.00 1.00 ATOM 304 CA GLU 309 21.623 -20.362 154.080 1.00 1.00 ATOM 305 CA TYR 310 19.786 -20.363 150.749 1.00 1.00 ATOM 306 CA ASP 311 22.103 -23.069 149.412 1.00 1.00 ATOM 307 CA HIS 312 21.508 -25.302 152.441 1.00 1.00 ATOM 308 CA PHE 313 17.745 -25.064 151.872 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:37:18 2002 Date: Thu, 22 Aug 2002 13:37:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0189 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 22 13:09:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_244369_31429 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0189TS007_5 Current information on models submitted in prediction T0189TS007 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_5 PIN_244369_31429 6269-7633-6117 08/22/02 13:09:24 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 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 T0189 MODEL_INDEX PIN CODE DATE E-mail T0189TS007_2 PIN_217362_31422 6269-7633-6117 08/22/02 13:06:54 casp5@bialko.llnl.gov T0189TS007_3 PIN_223330_31423 6269-7633-6117 08/22/02 13:07:13 casp5@bialko.llnl.gov T0189TS007_5 PIN_244369_31429 6269-7633-6117 08/22/02 13:09:24 casp5@bialko.llnl.gov T0189SS007_1 PIN_583863_25736 6269-7633-6117 08/16/02 05:45:15 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 T0189 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1RK2_A # Loading PARENT structure: 1rk2 (chain: A) # Number of residues in PARENT structure: 305 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue N 8 # IMPORTANT NOTE! Not complete main chain atoms for residue P 9 # IMPORTANT NOTE! Not complete main chain atoms for residue A 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue R 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue R 27 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue S 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 35 # IMPORTANT NOTE! Not complete main chain atoms for residue M 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue G 42 # IMPORTANT NOTE! Not complete main chain atoms for residue I 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue S 46 # IMPORTANT NOTE! Not complete main chain atoms for residue I 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue S 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue P 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue K 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue F 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue E 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue N 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue N 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue P 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue P 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue D 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue N 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue R 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue K 134 # IMPORTANT NOTE! Not complete main chain atoms for residue V 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue V 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue G 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 150 # IMPORTANT NOTE! Not complete main chain atoms for residue G 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue C 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue R 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue F 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue V 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue N 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue K 190 # IMPORTANT NOTE! Not complete main chain atoms for residue P 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue G 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue S 199 # IMPORTANT NOTE! Not complete main chain atoms for residue F 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue D 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue K 206 # IMPORTANT NOTE! Not complete main chain atoms for residue T 207 # IMPORTANT NOTE! Not complete main chain atoms for residue F 208 # IMPORTANT NOTE! Not complete main chain atoms for residue D 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue E 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue S 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue V 224 # IMPORTANT NOTE! Not complete main chain atoms for residue S 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue V 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue R 239 # IMPORTANT NOTE! Not complete main chain atoms for residue E 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue V 242 # IMPORTANT NOTE! Not complete main chain atoms for residue W 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue S 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue E 249 # IMPORTANT NOTE! Not complete main chain atoms for residue E 250 # IMPORTANT NOTE! Not complete main chain atoms for residue I 251 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue H 255 # IMPORTANT NOTE! Not complete main chain atoms for residue L 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue G 260 # IMPORTANT NOTE! Not complete main chain atoms for residue D 261 # IMPORTANT NOTE! Not complete main chain atoms for residue A 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # IMPORTANT NOTE! Not complete main chain atoms for residue A 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue M 267 # IMPORTANT NOTE! Not complete main chain atoms for residue V 268 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 269 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 270 # IMPORTANT NOTE! Not complete main chain atoms for residue F 271 # IMPORTANT NOTE! Not complete main chain atoms for residue I 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue N 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue L 279 # IMPORTANT NOTE! Not complete main chain atoms for residue E 280 # IMPORTANT NOTE! Not complete main chain atoms for residue M 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue F 286 # IMPORTANT NOTE! Not complete main chain atoms for residue A 287 # IMPORTANT NOTE! Not complete main chain atoms for residue S 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue A 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 292 # IMPORTANT NOTE! Not complete main chain atoms for residue T 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue K 296 # IMPORTANT NOTE! Not complete main chain atoms for residue E 297 # IMPORTANT NOTE! Not complete main chain atoms for residue K 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue P 301 # IMPORTANT NOTE! Not complete main chain atoms for residue D 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue E 304 # IMPORTANT NOTE! Not complete main chain atoms for residue A 305 # IMPORTANT NOTE! Not complete main chain atoms for residue I 306 # IMPORTANT NOTE! Not complete main chain atoms for residue K 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 310 # IMPORTANT NOTE! Not complete main chain atoms for residue D 311 # IMPORTANT NOTE! Not complete main chain atoms for residue H 312 # IMPORTANT NOTE! Not complete main chain atoms for residue F 313 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0189 # Total number of residues in target: 319 # Total number of residues in model: 298 # Total number of atoms in model: 298 # Number of atoms with 1.0 occupancy: 298 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 298 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0189 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1RK2_A ATOM 7 CA LEU 3 10.296 10.855 62.796 1.00 1.00 ATOM 8 CA THR 4 7.459 10.014 65.150 1.00 1.00 ATOM 9 CA VAL 5 8.265 8.557 68.558 1.00 1.00 ATOM 10 CA THR 6 5.405 6.983 70.472 1.00 1.00 ATOM 11 CA LEU 7 6.110 6.038 74.056 1.00 1.00 ATOM 12 CA ASN 8 6.258 6.731 77.779 1.00 1.00 ATOM 13 CA PRO 9 7.145 9.710 79.955 1.00 1.00 ATOM 14 CA ALA 10 8.497 9.088 83.465 1.00 1.00 ATOM 15 CA LEU 11 9.813 11.137 86.368 1.00 1.00 ATOM 16 CA ASP 12 12.915 9.211 87.517 1.00 1.00 ATOM 17 CA ARG 13 13.894 8.892 91.195 1.00 1.00 ATOM 18 CA GLU 14 17.421 7.498 91.257 1.00 1.00 ATOM 19 CA ILE 15 19.273 6.221 94.308 1.00 1.00 ATOM 20 CA PHE 16 22.889 5.121 94.010 1.00 1.00 ATOM 21 CA ILE 17 23.744 2.542 96.620 1.00 1.00 ATOM 22 CA GLU 18 26.324 -0.142 97.360 1.00 1.00 ATOM 23 CA ASP 19 24.184 -3.255 97.167 1.00 1.00 ATOM 24 CA PHE 20 20.569 -4.020 96.371 1.00 1.00 ATOM 25 CA GLN 21 18.593 -4.346 99.650 1.00 1.00 ATOM 26 CA VAL 22 17.456 -7.972 100.102 1.00 1.00 ATOM 27 CA ASN 23 13.865 -8.444 101.386 1.00 1.00 ATOM 28 CA ARG 24 12.745 -6.923 104.672 1.00 1.00 ATOM 29 CA LEU 25 16.000 -4.937 104.517 1.00 1.00 ATOM 30 CA TYR 26 16.928 -1.234 104.228 1.00 1.00 ATOM 31 CA ARG 27 19.916 0.400 102.558 1.00 1.00 ATOM 32 CA ASP 30 21.255 3.948 102.573 1.00 1.00 ATOM 33 CA LEU 31 22.543 5.441 99.326 1.00 1.00 ATOM 34 CA SER 32 25.223 8.035 98.589 1.00 1.00 ATOM 35 CA LYS 33 23.585 10.049 95.797 1.00 1.00 ATOM 36 CA THR 34 19.924 10.680 94.942 1.00 1.00 ATOM 37 CA GLN 35 18.633 12.350 91.775 1.00 1.00 ATOM 38 CA MET 36 15.161 13.169 90.429 1.00 1.00 ATOM 39 CA SER 37 15.310 13.495 86.635 1.00 1.00 ATOM 40 CA PRO 38 13.042 13.095 83.606 1.00 1.00 ATOM 41 CA GLY 39 12.939 9.569 82.210 1.00 1.00 ATOM 42 CA GLY 40 10.718 7.087 80.416 1.00 1.00 ATOM 43 CA LYS 41 12.002 5.188 77.377 1.00 1.00 ATOM 44 CA GLY 42 9.707 7.063 75.020 1.00 1.00 ATOM 45 CA ILE 43 10.814 10.482 76.235 1.00 1.00 ATOM 46 CA ASN 44 14.455 9.461 76.515 1.00 1.00 ATOM 47 CA VAL 45 14.429 8.254 72.919 1.00 1.00 ATOM 48 CA SER 46 12.537 11.362 71.746 1.00 1.00 ATOM 49 CA ILE 47 15.157 13.586 73.403 1.00 1.00 ATOM 50 CA ALA 48 18.043 11.622 71.913 1.00 1.00 ATOM 51 CA LEU 49 16.449 12.045 68.464 1.00 1.00 ATOM 52 CA SER 50 15.690 15.727 68.974 1.00 1.00 ATOM 53 CA LYS 51 19.078 16.640 70.395 1.00 1.00 ATOM 54 CA LEU 52 20.955 14.680 67.748 1.00 1.00 ATOM 55 CA GLY 53 19.192 16.660 65.006 1.00 1.00 ATOM 56 CA VAL 54 16.057 14.755 63.979 1.00 1.00 ATOM 57 CA PRO 55 12.746 16.219 62.816 1.00 1.00 ATOM 58 CA SER 56 10.688 14.464 65.471 1.00 1.00 ATOM 59 CA VAL 57 7.179 14.599 66.914 1.00 1.00 ATOM 60 CA ALA 58 6.258 12.773 70.131 1.00 1.00 ATOM 61 CA THR 59 3.021 10.903 70.798 1.00 1.00 ATOM 62 CA GLY 60 2.690 10.446 74.565 1.00 1.00 ATOM 63 CA PHE 61 0.629 11.172 77.671 1.00 1.00 ATOM 64 CA VAL 62 1.444 12.942 80.930 1.00 1.00 ATOM 65 CA GLY 63 -0.868 13.487 83.876 1.00 1.00 ATOM 66 CA GLY 64 -2.558 16.786 84.740 1.00 1.00 ATOM 67 CA TYR 65 -0.015 17.258 87.485 1.00 1.00 ATOM 69 CA MET 66 5.565 17.387 86.995 1.00 1.00 ATOM 70 CA GLY 67 3.651 16.720 83.763 1.00 1.00 ATOM 71 CA LYS 68 3.531 20.409 82.827 1.00 1.00 ATOM 72 CA ILE 69 7.187 20.588 83.781 1.00 1.00 ATOM 73 CA LEU 70 8.287 17.731 81.531 1.00 1.00 ATOM 74 CA VAL 71 6.276 19.016 78.569 1.00 1.00 ATOM 75 CA GLU 72 7.979 22.425 78.809 1.00 1.00 ATOM 76 CA GLU 73 11.381 20.737 78.912 1.00 1.00 ATOM 77 CA LEU 74 10.696 18.421 75.990 1.00 1.00 ATOM 78 CA ARG 75 9.787 21.422 73.823 1.00 1.00 ATOM 79 CA LYS 76 13.299 22.790 74.377 1.00 1.00 ATOM 80 CA ILE 77 14.760 19.472 73.190 1.00 1.00 ATOM 81 CA SER 78 13.827 20.063 69.537 1.00 1.00 ATOM 82 CA LYS 79 10.703 17.951 69.859 1.00 1.00 ATOM 83 CA LEU 80 7.278 18.784 68.445 1.00 1.00 ATOM 84 CA ILE 81 5.123 18.031 71.479 1.00 1.00 ATOM 85 CA THR 82 1.768 18.764 69.844 1.00 1.00 ATOM 86 CA THR 83 0.990 14.985 70.028 1.00 1.00 ATOM 87 CA ASN 84 1.666 14.877 73.798 1.00 1.00 ATOM 88 CA PHE 85 -1.677 14.582 75.616 1.00 1.00 ATOM 89 CA VAL 86 -2.521 15.635 79.166 1.00 1.00 ATOM 90 CA TYR 87 -4.671 13.049 80.918 1.00 1.00 ATOM 91 CA VAL 88 -7.140 14.634 83.364 1.00 1.00 ATOM 92 CA GLU 89 -7.347 12.917 86.736 1.00 1.00 ATOM 93 CA GLY 90 -4.185 10.930 86.140 1.00 1.00 ATOM 94 CA GLU 91 -0.635 11.226 87.416 1.00 1.00 ATOM 95 CA THR 92 2.512 11.289 85.308 1.00 1.00 ATOM 96 CA ARG 93 4.451 8.030 85.184 1.00 1.00 ATOM 97 CA GLU 94 7.149 7.513 87.811 1.00 1.00 ATOM 98 CA ASN 95 10.238 5.287 87.951 1.00 1.00 ATOM 99 CA ILE 96 11.987 4.216 91.170 1.00 1.00 ATOM 100 CA GLU 97 15.587 3.238 90.402 1.00 1.00 ATOM 101 CA ILE 98 18.311 1.552 92.461 1.00 1.00 ATOM 102 CA ILE 99 21.904 1.469 91.207 1.00 1.00 ATOM 103 CA ASP 100 24.482 -0.698 93.002 1.00 1.00 ATOM 104 CA LYS 102 28.245 -0.331 93.109 1.00 1.00 ATOM 105 CA ASN 103 28.464 -2.599 90.046 1.00 1.00 ATOM 106 CA LYS 104 26.430 -0.163 87.933 1.00 1.00 ATOM 107 CA THR 105 23.619 -2.692 87.474 1.00 1.00 ATOM 108 CA ILE 106 20.113 -1.413 88.237 1.00 1.00 ATOM 109 CA THR 107 16.604 -2.409 89.236 1.00 1.00 ATOM 110 CA ALA 108 13.593 -0.425 87.928 1.00 1.00 ATOM 111 CA ILE 109 10.094 -0.265 89.396 1.00 1.00 ATOM 112 CA ASN 110 7.504 1.542 87.288 1.00 1.00 ATOM 113 CA PHE 111 4.286 3.394 87.988 1.00 1.00 ATOM 114 CA PRO 112 2.680 3.682 84.550 1.00 1.00 ATOM 115 CA GLY 113 0.281 6.424 85.516 1.00 1.00 ATOM 116 CA PRO 114 -0.846 8.444 82.508 1.00 1.00 ATOM 117 CA ASP 115 1.233 6.221 80.210 1.00 1.00 ATOM 118 CA VAL 116 -1.402 3.501 80.484 1.00 1.00 ATOM 119 CA THR 117 -3.826 5.976 78.897 1.00 1.00 ATOM 120 CA ASP 118 -1.992 6.119 75.557 1.00 1.00 ATOM 121 CA MET 119 -4.744 4.103 73.863 1.00 1.00 ATOM 122 CA ASP 120 -5.528 2.801 70.353 1.00 1.00 ATOM 123 CA VAL 121 -7.998 5.693 70.184 1.00 1.00 ATOM 124 CA ASN 122 -5.237 8.245 70.772 1.00 1.00 ATOM 125 CA LEU 125 -3.217 6.384 68.181 1.00 1.00 ATOM 126 CA ARG 126 -5.999 6.527 65.601 1.00 1.00 ATOM 127 CA ARG 127 -6.155 10.276 66.207 1.00 1.00 ATOM 128 CA TYR 128 -2.568 10.372 64.964 1.00 1.00 ATOM 129 CA LYS 129 -3.200 8.221 61.885 1.00 1.00 ATOM 130 CA MET 130 -2.286 10.947 59.413 1.00 1.00 ATOM 131 CA THR 131 0.823 11.963 61.380 1.00 1.00 ATOM 132 CA LEU 132 2.072 8.355 61.407 1.00 1.00 ATOM 133 CA SER 133 1.158 7.744 57.752 1.00 1.00 ATOM 134 CA LYS 134 3.169 10.760 56.627 1.00 1.00 ATOM 135 CA VAL 135 6.214 10.072 58.793 1.00 1.00 ATOM 136 CA ASP 136 9.332 8.412 57.390 1.00 1.00 ATOM 137 CA CYS 137 9.710 6.331 60.542 1.00 1.00 ATOM 138 CA VAL 138 7.943 5.360 63.764 1.00 1.00 ATOM 139 CA VAL 139 10.007 4.508 66.868 1.00 1.00 ATOM 140 CA ILE 140 8.338 2.733 69.800 1.00 1.00 ATOM 141 CA SER 141 9.231 0.833 72.996 1.00 1.00 ATOM 142 CA GLY 142 7.236 -1.389 75.349 1.00 1.00 ATOM 143 CA SER 143 6.296 1.034 78.150 1.00 1.00 ATOM 144 CA ILE 144 3.027 1.858 76.393 1.00 1.00 ATOM 145 CA PRO 145 -0.007 -0.460 76.025 1.00 1.00 ATOM 146 CA GLU 150 0.750 -3.268 73.581 1.00 1.00 ATOM 147 CA GLY 151 -2.599 -2.772 71.844 1.00 1.00 ATOM 148 CA ILE 152 -1.535 0.800 71.101 1.00 1.00 ATOM 149 CA CYS 153 1.925 -0.172 69.851 1.00 1.00 ATOM 150 CA ASN 154 0.196 -2.770 67.671 1.00 1.00 ATOM 151 CA GLU 155 -2.281 -0.245 66.302 1.00 1.00 ATOM 152 CA LEU 156 0.464 2.254 65.474 1.00 1.00 ATOM 153 CA VAL 157 2.557 -0.456 63.835 1.00 1.00 ATOM 154 CA ARG 158 -0.330 -1.384 61.544 1.00 1.00 ATOM 155 CA LEU 159 -0.891 2.213 60.441 1.00 1.00 ATOM 156 CA ALA 160 2.828 2.649 59.757 1.00 1.00 ATOM 157 CA ARG 161 2.891 -0.633 57.829 1.00 1.00 ATOM 158 CA GLU 162 -0.135 0.274 55.663 1.00 1.00 ATOM 159 CA ARG 163 1.680 3.497 54.793 1.00 1.00 ATOM 160 CA GLY 164 5.240 2.407 54.182 1.00 1.00 ATOM 161 CA VAL 165 6.345 4.148 57.379 1.00 1.00 ATOM 162 CA PHE 166 9.434 2.434 58.782 1.00 1.00 ATOM 163 CA VAL 167 8.710 0.660 62.061 1.00 1.00 ATOM 164 CA PHE 168 11.570 0.736 64.571 1.00 1.00 ATOM 165 CA VAL 169 10.851 -1.182 67.775 1.00 1.00 ATOM 166 CA GLU 170 13.002 -1.150 70.915 1.00 1.00 ATOM 167 CA GLN 171 11.578 -4.247 72.692 1.00 1.00 ATOM 168 CA THR 172 12.089 -2.897 76.215 1.00 1.00 ATOM 169 CA PRO 173 11.309 -3.599 78.976 1.00 1.00 ATOM 170 CA ARG 174 11.900 -7.268 78.158 1.00 1.00 ATOM 171 CA LEU 175 8.896 -9.457 77.339 1.00 1.00 ATOM 172 CA LEU 176 7.527 -11.875 74.783 1.00 1.00 ATOM 173 CA GLU 177 5.734 -10.396 71.790 1.00 1.00 ATOM 174 CA ILE 179 3.048 -11.826 69.457 1.00 1.00 ATOM 175 CA TYR 180 4.221 -12.788 65.946 1.00 1.00 ATOM 176 CA GLU 181 1.547 -10.396 64.677 1.00 1.00 ATOM 177 CA GLY 182 3.556 -7.424 65.941 1.00 1.00 ATOM 178 CA PRO 183 7.012 -8.733 65.040 1.00 1.00 ATOM 179 CA GLU 184 5.863 -9.258 61.448 1.00 1.00 ATOM 180 CA PHE 185 5.240 -5.517 61.184 1.00 1.00 ATOM 181 CA PRO 186 8.720 -4.455 62.358 1.00 1.00 ATOM 182 CA ASN 187 11.488 -3.263 60.043 1.00 1.00 ATOM 183 CA VAL 188 14.140 -2.576 62.691 1.00 1.00 ATOM 184 CA VAL 189 14.208 -4.213 66.119 1.00 1.00 ATOM 185 CA LYS 190 16.782 -3.247 68.782 1.00 1.00 ATOM 186 CA PRO 191 16.813 -5.737 71.665 1.00 1.00 ATOM 187 CA ASP 192 19.628 -5.829 74.173 1.00 1.00 ATOM 188 CA LEU 193 20.884 -9.304 75.164 1.00 1.00 ATOM 189 CA ARG 194 18.215 -10.028 77.784 1.00 1.00 ATOM 190 CA GLY 195 15.526 -8.891 75.373 1.00 1.00 ATOM 191 CA ASN 196 16.905 -10.950 72.482 1.00 1.00 ATOM 192 CA ALA 198 16.880 -14.055 74.679 1.00 1.00 ATOM 193 CA SER 199 13.358 -13.311 75.935 1.00 1.00 ATOM 194 CA PHE 200 12.077 -12.964 72.352 1.00 1.00 ATOM 195 CA LEU 201 13.885 -15.904 70.763 1.00 1.00 ATOM 196 CA GLY 202 14.533 -18.228 73.674 1.00 1.00 ATOM 197 CA VAL 203 18.223 -18.004 72.811 1.00 1.00 ATOM 198 CA ASP 204 20.753 -16.741 75.368 1.00 1.00 ATOM 199 CA LEU 205 23.285 -14.317 73.900 1.00 1.00 ATOM 200 CA LYS 206 26.804 -14.777 75.290 1.00 1.00 ATOM 201 CA THR 207 28.910 -14.476 72.143 1.00 1.00 ATOM 202 CA PHE 208 28.633 -13.235 68.588 1.00 1.00 ATOM 203 CA ASP 209 27.564 -16.719 67.551 1.00 1.00 ATOM 204 CA ASP 210 24.623 -16.625 69.969 1.00 1.00 ATOM 205 CA TYR 211 23.713 -13.210 68.527 1.00 1.00 ATOM 206 CA VAL 212 23.555 -14.466 64.950 1.00 1.00 ATOM 207 CA LYS 213 21.284 -17.347 65.956 1.00 1.00 ATOM 208 CA LEU 214 19.014 -15.027 67.933 1.00 1.00 ATOM 209 CA ALA 215 18.888 -12.637 64.968 1.00 1.00 ATOM 210 CA GLU 216 17.971 -15.445 62.577 1.00 1.00 ATOM 211 CA LYS 217 14.887 -16.235 64.666 1.00 1.00 ATOM 212 CA LEU 218 13.798 -12.609 64.401 1.00 1.00 ATOM 213 CA ALA 219 14.551 -12.481 60.682 1.00 1.00 ATOM 214 CA GLU 220 12.265 -15.505 60.279 1.00 1.00 ATOM 215 CA LYS 221 9.575 -13.667 62.255 1.00 1.00 ATOM 216 CA SER 222 9.731 -11.116 59.448 1.00 1.00 ATOM 218 CA GLN 223 14.744 -7.511 58.167 1.00 1.00 ATOM 219 CA VAL 224 17.098 -5.479 60.331 1.00 1.00 ATOM 220 CA SER 225 18.068 -6.850 63.727 1.00 1.00 ATOM 221 CA VAL 226 20.427 -4.935 66.007 1.00 1.00 ATOM 222 CA VAL 227 21.342 -6.688 69.246 1.00 1.00 ATOM 223 CA SER 228 23.103 -4.286 71.600 1.00 1.00 ATOM 224 CA TYR 229 25.896 -5.966 73.559 1.00 1.00 ATOM 225 CA GLU 230 26.557 -3.307 76.193 1.00 1.00 ATOM 226 CA VAL 231 30.221 -2.285 76.074 1.00 1.00 ATOM 227 CA LYS 232 30.771 -4.819 73.289 1.00 1.00 ATOM 228 CA ASN 233 28.814 -2.669 70.843 1.00 1.00 ATOM 229 CA ASP 234 26.136 -4.320 68.732 1.00 1.00 ATOM 230 CA ILE 235 25.529 -7.306 66.498 1.00 1.00 ATOM 231 CA VAL 236 24.100 -5.761 63.336 1.00 1.00 ATOM 232 CA ALA 237 22.258 -8.132 61.009 1.00 1.00 ATOM 233 CA THR 238 20.255 -7.543 57.805 1.00 1.00 ATOM 234 CA ARG 239 18.306 -10.639 56.736 1.00 1.00 ATOM 235 CA GLU 240 20.979 -13.075 57.906 1.00 1.00 ATOM 236 CA GLY 241 24.133 -11.151 57.005 1.00 1.00 ATOM 237 CA VAL 242 25.559 -9.554 60.127 1.00 1.00 ATOM 238 CA TRP 243 28.604 -8.556 62.148 1.00 1.00 ATOM 239 CA LEU 244 29.489 -6.909 65.465 1.00 1.00 ATOM 240 CA ARG 246 30.056 -3.161 65.338 1.00 1.00 ATOM 241 CA SER 247 32.192 -2.284 68.381 1.00 1.00 ATOM 242 CA LYS 248 31.227 0.729 70.466 1.00 1.00 ATOM 243 CA GLU 249 33.593 3.279 72.007 1.00 1.00 ATOM 244 CA GLU 250 35.577 2.879 75.234 1.00 1.00 ATOM 245 CA ILE 251 34.764 5.225 78.093 1.00 1.00 ATOM 246 CA ASP 252 34.574 5.295 81.882 1.00 1.00 ATOM 247 CA THR 253 30.917 4.655 82.691 1.00 1.00 ATOM 248 CA SER 254 29.217 6.459 85.554 1.00 1.00 ATOM 249 CA HIS 255 25.579 5.835 84.684 1.00 1.00 ATOM 250 CA LEU 256 24.301 3.590 81.865 1.00 1.00 ATOM 251 CA LEU 257 20.615 4.374 82.391 1.00 1.00 ATOM 252 CA GLY 258 19.222 5.402 78.993 1.00 1.00 ATOM 253 CA ALA 259 22.298 4.079 77.153 1.00 1.00 ATOM 254 CA GLY 260 20.044 2.011 74.920 1.00 1.00 ATOM 255 CA ASP 261 17.476 4.791 74.611 1.00 1.00 ATOM 256 CA ALA 262 20.178 7.186 73.432 1.00 1.00 ATOM 257 CA TYR 263 21.402 4.549 70.956 1.00 1.00 ATOM 258 CA VAL 264 17.912 4.232 69.447 1.00 1.00 ATOM 259 CA ALA 265 17.178 7.927 69.165 1.00 1.00 ATOM 260 CA GLY 266 20.551 8.677 67.619 1.00 1.00 ATOM 261 CA MET 267 20.361 5.652 65.320 1.00 1.00 ATOM 262 CA VAL 268 17.111 6.687 63.667 1.00 1.00 ATOM 263 CA TYR 269 18.348 10.248 63.251 1.00 1.00 ATOM 264 CA TYR 270 21.388 8.917 61.401 1.00 1.00 ATOM 265 CA PHE 271 19.346 6.562 59.219 1.00 1.00 ATOM 266 CA ILE 272 16.892 9.316 58.308 1.00 1.00 ATOM 267 CA LYS 273 19.837 11.452 57.164 1.00 1.00 ATOM 268 CA GLY 275 20.530 8.585 54.765 1.00 1.00 ATOM 269 CA ALA 276 23.768 7.480 56.392 1.00 1.00 ATOM 270 CA ASN 277 24.424 3.790 55.651 1.00 1.00 ATOM 271 CA PHE 278 23.692 1.391 58.533 1.00 1.00 ATOM 272 CA LEU 279 27.285 0.887 59.746 1.00 1.00 ATOM 273 CA GLU 280 27.920 4.617 59.826 1.00 1.00 ATOM 274 CA MET 281 24.571 5.206 61.546 1.00 1.00 ATOM 275 CA ALA 282 25.454 2.655 64.223 1.00 1.00 ATOM 276 CA LYS 283 28.758 4.455 64.685 1.00 1.00 ATOM 277 CA PHE 284 26.909 7.742 65.162 1.00 1.00 ATOM 278 CA GLY 285 24.624 5.985 67.633 1.00 1.00 ATOM 279 CA PHE 286 27.524 4.417 69.580 1.00 1.00 ATOM 280 CA ALA 287 29.117 7.857 69.956 1.00 1.00 ATOM 281 CA SER 288 25.955 9.412 71.371 1.00 1.00 ATOM 282 CA ALA 289 25.452 6.455 73.693 1.00 1.00 ATOM 283 CA LEU 290 29.082 6.482 74.860 1.00 1.00 ATOM 284 CA ALA 291 28.744 10.134 75.849 1.00 1.00 ATOM 285 CA ALA 292 25.465 9.311 77.587 1.00 1.00 ATOM 286 CA THR 293 27.066 6.625 79.775 1.00 1.00 ATOM 287 CA ARG 294 29.611 9.146 81.089 1.00 1.00 ATOM 288 CA ARG 295 26.831 11.328 82.510 1.00 1.00 ATOM 289 CA LYS 296 24.155 10.893 85.176 1.00 1.00 ATOM 290 CA GLU 297 20.397 10.554 84.823 1.00 1.00 ATOM 291 CA LYS 298 18.387 9.609 81.740 1.00 1.00 ATOM 294 CA TYR 299 22.869 12.579 80.029 1.00 1.00 ATOM 295 CA MET 300 21.564 12.710 76.436 1.00 1.00 ATOM 296 CA PRO 301 24.154 14.499 74.203 1.00 1.00 ATOM 297 CA ASP 302 23.521 17.122 71.535 1.00 1.00 ATOM 298 CA LEU 303 24.478 16.860 67.853 1.00 1.00 ATOM 299 CA GLU 304 27.403 19.295 68.224 1.00 1.00 ATOM 300 CA ALA 305 28.770 17.114 71.026 1.00 1.00 ATOM 301 CA ILE 306 28.229 13.908 69.058 1.00 1.00 ATOM 302 CA LYS 307 30.050 15.126 65.944 1.00 1.00 ATOM 303 CA LYS 308 32.819 16.560 68.138 1.00 1.00 ATOM 304 CA GLU 309 33.230 13.189 69.790 1.00 1.00 ATOM 305 CA TYR 310 33.324 11.581 66.339 1.00 1.00 ATOM 306 CA ASP 311 35.906 14.075 65.030 1.00 1.00 ATOM 307 CA HIS 312 38.170 13.573 68.044 1.00 1.00 ATOM 308 CA PHE 313 38.166 9.874 67.150 1.00 1.00 TER END ################################ # # # END # # # ################################