From mailer@bialko.llnl.gov Thu Aug 15 07:22:19 2002 Date: Thu, 15 Aug 2002 07:22:13 -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 Thu Aug 15 06:54:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_675024_24608 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0185SS007_1 Current information on models submitted in prediction T0185SS007 MODEL_INDEX PIN CODE DATE E-mail T0185SS007_1 PIN_675024_24608 6269-7633-6117 08/15/02 06:54:20 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 T0185 MODEL_INDEX PIN CODE DATE E-mail T0185SS007_1 PIN_675024_24608 6269-7633-6117 08/15/02 06:54:20 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 T0185 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: 457 # Number of residues with nonzero confidence: 457 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0185 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-29776.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-9460//target-align-9460.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 209.8 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-29776.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc54.16461/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Aug 14 21:39:19 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-9460//target-align-9460.a2m METHOD METHOD guide seq name: seed-seqs-29776.a2m(1), 457 bases, 99BCF074 checksum. METHOD ###end 0 MODEL 1 M C 0.582 K E 0.49 I E 0.656 H E 0.66 F E 0.654 V E 0.592 G C 0.466 I C 0.55 G C 0.579 G C 0.57 I C 0.572 G H 0.564 M H 0.621 S H 0.657 A H 0.687 V H 0.714 A H 0.736 L H 0.742 H H 0.74 E H 0.73 F H 0.701 S H 0.618 N C 0.561 G C 0.62 N C 0.496 D E 0.545 V E 0.618 Y E 0.617 G E 0.556 S C 0.403 N C 0.555 I C 0.558 E C 0.522 E C 0.487 T C 0.536 E C 0.477 R H 0.486 T H 0.587 A H 0.624 Y H 0.651 L H 0.665 R H 0.661 K H 0.648 L H 0.521 G C 0.651 I C 0.62 P C 0.462 I E 0.604 F E 0.611 V E 0.552 P E 0.416 H C 0.549 S C 0.601 A H 0.53 D H 0.545 N H 0.531 W C 0.48 Y C 0.58 D C 0.611 P C 0.599 D C 0.498 L E 0.615 V E 0.672 I E 0.662 K E 0.56 T C 0.572 P C 0.637 A C 0.623 V C 0.622 R C 0.674 D C 0.633 D C 0.641 N C 0.59 P H 0.611 E H 0.655 I H 0.711 V H 0.722 R H 0.728 A H 0.724 R H 0.712 M H 0.696 E H 0.59 R C 0.635 V C 0.624 P C 0.559 I H 0.357 E H 0.56 N H 0.626 R H 0.67 L H 0.703 H H 0.708 Y H 0.692 F H 0.653 R H 0.536 D H 0.453 T C 0.441 L C 0.488 K C 0.488 R C 0.505 E C 0.569 K C 0.626 K C 0.577 E C 0.452 E E 0.689 F E 0.735 A E 0.723 V E 0.701 T E 0.578 G C 0.592 T C 0.704 D C 0.728 G C 0.731 K C 0.567 T H 0.428 T H 0.524 T H 0.611 T H 0.669 A H 0.691 M H 0.704 V H 0.722 A H 0.734 H H 0.737 V H 0.734 L H 0.727 K H 0.704 H H 0.67 L H 0.544 R C 0.648 K C 0.664 S C 0.57 P C 0.404 T E 0.501 V E 0.541 F E 0.498 L C 0.472 G C 0.577 G C 0.533 I C 0.455 M C 0.437 D C 0.438 S C 0.419 L H 0.417 E H 0.434 H H 0.507 G H 0.496 N H 0.485 Y H 0.432 E C 0.495 K C 0.589 G C 0.628 N C 0.578 G C 0.414 P E 0.577 V E 0.633 V E 0.65 Y E 0.62 E E 0.579 L E 0.498 D C 0.45 E C 0.551 S C 0.563 E C 0.538 E C 0.504 F C 0.453 F C 0.446 S C 0.444 E C 0.43 F C 0.49 S C 0.558 P C 0.496 N E 0.39 Y E 0.572 L E 0.608 I E 0.64 I E 0.627 T E 0.529 N E 0.385 A C 0.472 R C 0.606 G H 0.574 D H 0.613 H H 0.624 L H 0.597 E H 0.572 N H 0.547 Y C 0.46 G C 0.588 N C 0.597 S C 0.552 L H 0.736 T H 0.759 R H 0.76 Y H 0.762 R H 0.756 S H 0.751 A H 0.737 F H 0.724 E H 0.684 K H 0.632 I H 0.531 S H 0.417 R C 0.497 N C 0.62 T C 0.645 D C 0.614 L E 0.485 V E 0.653 V E 0.684 T E 0.638 F E 0.448 A C 0.627 E C 0.692 D C 0.619 E H 0.625 L H 0.653 T H 0.678 S H 0.686 H H 0.684 L H 0.677 G H 0.67 D H 0.646 V H 0.613 T H 0.48 F C 0.51 G C 0.608 V C 0.572 K C 0.469 K E 0.516 G E 0.573 T E 0.58 Y E 0.541 T C 0.44 L C 0.535 E C 0.617 M C 0.594 R C 0.546 S C 0.48 A C 0.413 S E 0.398 R E 0.45 A E 0.428 E E 0.375 Q C 0.439 K C 0.444 A E 0.423 M E 0.532 V E 0.526 E E 0.488 K C 0.401 N C 0.526 G C 0.576 K C 0.486 R E 0.383 Y E 0.423 L E 0.415 E E 0.433 L E 0.465 K E 0.466 L E 0.393 K C 0.507 V C 0.49 P C 0.525 G H 0.479 F H 0.564 H H 0.614 N H 0.633 V H 0.691 L H 0.72 N H 0.726 A H 0.769 L H 0.778 A H 0.789 V H 0.793 I H 0.788 A H 0.782 L H 0.771 F H 0.764 D H 0.743 S H 0.719 L H 0.629 G C 0.638 Y C 0.687 D C 0.695 L H 0.704 A H 0.757 P H 0.761 V H 0.758 L H 0.762 E H 0.759 A H 0.735 L H 0.731 E H 0.704 E H 0.673 F H 0.551 R H 0.447 G C 0.494 V C 0.56 H C 0.567 R C 0.554 R C 0.417 F E 0.399 S E 0.449 I E 0.472 A E 0.427 F C 0.411 H C 0.549 D C 0.655 P C 0.633 E C 0.592 T C 0.64 N C 0.626 I E 0.436 Y E 0.586 V E 0.636 I E 0.606 D E 0.492 D C 0.454 Y C 0.567 A C 0.599 H C 0.608 T C 0.733 P H 0.495 D H 0.638 E H 0.702 I H 0.754 R H 0.774 N H 0.778 L H 0.775 L H 0.783 Q H 0.768 T H 0.75 A H 0.707 K H 0.655 E H 0.596 V H 0.493 F C 0.568 E C 0.626 N C 0.648 E C 0.553 K E 0.472 I E 0.65 V E 0.69 V E 0.687 I E 0.646 F E 0.464 Q C 0.574 P C 0.617 H C 0.61 R C 0.613 Y C 0.592 S C 0.598 R C 0.539 L C 0.514 E H 0.526 R H 0.551 E H 0.611 D H 0.665 G H 0.683 N H 0.719 F H 0.702 A H 0.706 K H 0.705 A H 0.696 L H 0.655 Q H 0.59 L H 0.482 A C 0.522 D C 0.484 E E 0.539 V E 0.635 V E 0.659 V E 0.633 T E 0.523 E C 0.471 V C 0.62 Y C 0.668 D C 0.674 A C 0.661 F C 0.644 E C 0.614 E C 0.603 K C 0.525 K H 0.466 N H 0.501 G H 0.503 I H 0.52 S H 0.553 G H 0.679 K H 0.709 M H 0.707 I H 0.709 W H 0.709 D H 0.698 S H 0.666 L H 0.611 K H 0.533 S H 0.447 L C 0.559 G C 0.62 K C 0.528 E E 0.463 A E 0.441 Y E 0.407 F C 0.406 V C 0.535 E H 0.701 K H 0.734 L H 0.778 P H 0.795 E H 0.807 L H 0.799 E H 0.786 K H 0.782 V H 0.764 I H 0.724 S H 0.667 V H 0.534 S C 0.569 E C 0.638 N C 0.682 T C 0.62 V E 0.614 F E 0.706 L E 0.717 F E 0.679 V E 0.505 G C 0.598 A C 0.65 G C 0.616 D C 0.561 I C 0.431 I H 0.51 Y H 0.564 S H 0.608 S H 0.619 R H 0.637 R H 0.632 F H 0.646 V H 0.645 E H 0.634 R H 0.573 Y H 0.452 Q H 0.569 S H 0.635 S H 0.749 K H 0.811 S H 0.816 S H 0.82 P H 0.825 S H 0.823 R H 0.793 V H 0.72 L H 0.55 G C 0.652 S C 0.785 N C 0.853 K C 0.91 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 10:49:18 2002 Date: Wed, 21 Aug 2002 10:49:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0185 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 Wed Aug 21 10:21:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_370200_29762 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0185TS007_1 Current information on models submitted in prediction T0185TS007 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 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 T0185 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 casp5@bialko.llnl.gov T0185SS007_1 PIN_675024_24608 6269-7633-6117 08/15/02 06:54:20 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 T0185 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1E8C_B # Loading PARENT structure: 1e8c (chain: B) # Number of residues in PARENT structure: 484 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue G 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue I 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue S 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue T 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue A 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue I 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue V 50 # IMPORTANT NOTE! Not complete main chain atoms for residue P 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue N 56 # IMPORTANT NOTE! Not complete main chain atoms for residue W 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue R 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue T 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue K 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue G 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 147 # IMPORTANT NOTE! Not complete main chain atoms for residue E 148 # IMPORTANT NOTE! Not complete main chain atoms for residue K 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue N 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue V 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue P 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue N 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue S 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 191 # IMPORTANT NOTE! Not complete main chain atoms for residue R 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue S 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue S 201 # IMPORTANT NOTE! Not complete main chain atoms for residue R 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue T 204 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue T 216 # IMPORTANT NOTE! Not complete main chain atoms for residue S 217 # IMPORTANT NOTE! Not complete main chain atoms for residue H 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue G 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue F 224 # IMPORTANT NOTE! Not complete main chain atoms for residue G 225 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue E 234 # IMPORTANT NOTE! Not complete main chain atoms for residue M 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue R 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue E 242 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 243 # IMPORTANT NOTE! Not complete main chain atoms for residue K 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue M 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue N 250 # IMPORTANT NOTE! Not complete main chain atoms for residue G 251 # IMPORTANT NOTE! Not complete main chain atoms for residue K 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue E 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue L 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue G 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue H 265 # IMPORTANT NOTE! Not complete main chain atoms for residue N 266 # IMPORTANT NOTE! Not complete main chain atoms for residue V 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue N 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue I 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue F 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue S 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue G 281 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 282 # IMPORTANT NOTE! Not complete main chain atoms for residue D 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue A 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue V 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue E 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue G 296 # IMPORTANT NOTE! Not complete main chain atoms for residue V 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue R 300 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue I 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue H 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue N 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 313 # IMPORTANT NOTE! Not complete main chain atoms for residue V 314 # IMPORTANT NOTE! Not complete main chain atoms for residue I 315 # IMPORTANT NOTE! Not complete main chain atoms for residue D 316 # IMPORTANT NOTE! Not complete main chain atoms for residue D 317 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 318 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # IMPORTANT NOTE! Not complete main chain atoms for residue H 320 # IMPORTANT NOTE! Not complete main chain atoms for residue T 321 # IMPORTANT NOTE! Not complete main chain atoms for residue P 322 # IMPORTANT NOTE! Not complete main chain atoms for residue D 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue I 325 # IMPORTANT NOTE! Not complete main chain atoms for residue R 326 # IMPORTANT NOTE! Not complete main chain atoms for residue N 327 # IMPORTANT NOTE! Not complete main chain atoms for residue L 328 # IMPORTANT NOTE! Not complete main chain atoms for residue L 329 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 330 # IMPORTANT NOTE! Not complete main chain atoms for residue T 331 # IMPORTANT NOTE! Not complete main chain atoms for residue A 332 # IMPORTANT NOTE! Not complete main chain atoms for residue K 333 # IMPORTANT NOTE! Not complete main chain atoms for residue E 334 # IMPORTANT NOTE! Not complete main chain atoms for residue V 335 # IMPORTANT NOTE! Not complete main chain atoms for residue F 336 # IMPORTANT NOTE! Not complete main chain atoms for residue E 337 # IMPORTANT NOTE! Not complete main chain atoms for residue N 338 # IMPORTANT NOTE! Not complete main chain atoms for residue E 339 # IMPORTANT NOTE! Not complete main chain atoms for residue K 340 # IMPORTANT NOTE! Not complete main chain atoms for residue I 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue V 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue F 345 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 346 # IMPORTANT NOTE! Not complete main chain atoms for residue P 347 # IMPORTANT NOTE! Not complete main chain atoms for residue H 348 # IMPORTANT NOTE! Not complete main chain atoms for residue R 349 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 350 # IMPORTANT NOTE! Not complete main chain atoms for residue S 351 # IMPORTANT NOTE! Not complete main chain atoms for residue R 352 # IMPORTANT NOTE! Not complete main chain atoms for residue L 353 # IMPORTANT NOTE! Not complete main chain atoms for residue E 354 # IMPORTANT NOTE! Not complete main chain atoms for residue R 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue D 357 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue A 361 # IMPORTANT NOTE! Not complete main chain atoms for residue K 362 # IMPORTANT NOTE! Not complete main chain atoms for residue A 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 365 # IMPORTANT NOTE! Not complete main chain atoms for residue L 366 # IMPORTANT NOTE! Not complete main chain atoms for residue A 367 # IMPORTANT NOTE! Not complete main chain atoms for residue D 368 # IMPORTANT NOTE! Not complete main chain atoms for residue E 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue V 371 # IMPORTANT NOTE! Not complete main chain atoms for residue V 372 # IMPORTANT NOTE! Not complete main chain atoms for residue T 373 # IMPORTANT NOTE! Not complete main chain atoms for residue E 374 # IMPORTANT NOTE! Not complete main chain atoms for residue V 375 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 376 # IMPORTANT NOTE! Not complete main chain atoms for residue D 377 # IMPORTANT NOTE! Not complete main chain atoms for residue A 378 # IMPORTANT NOTE! Not complete main chain atoms for residue F 379 # IMPORTANT NOTE! Not complete main chain atoms for residue E 380 # IMPORTANT NOTE! Not complete main chain atoms for residue E 381 # IMPORTANT NOTE! Not complete main chain atoms for residue K 382 # IMPORTANT NOTE! Not complete main chain atoms for residue K 383 # IMPORTANT NOTE! Not complete main chain atoms for residue N 384 # IMPORTANT NOTE! Not complete main chain atoms for residue G 385 # IMPORTANT NOTE! Not complete main chain atoms for residue I 386 # IMPORTANT NOTE! Not complete main chain atoms for residue S 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue I 391 # IMPORTANT NOTE! Not complete main chain atoms for residue W 392 # IMPORTANT NOTE! Not complete main chain atoms for residue D 393 # IMPORTANT NOTE! Not complete main chain atoms for residue S 394 # IMPORTANT NOTE! Not complete main chain atoms for residue K 396 # IMPORTANT NOTE! Not complete main chain atoms for residue S 397 # IMPORTANT NOTE! Not complete main chain atoms for residue L 398 # IMPORTANT NOTE! Not complete main chain atoms for residue G 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue E 406 # IMPORTANT NOTE! Not complete main chain atoms for residue K 407 # IMPORTANT NOTE! Not complete main chain atoms for residue P 409 # IMPORTANT NOTE! Not complete main chain atoms for residue E 410 # IMPORTANT NOTE! Not complete main chain atoms for residue L 411 # IMPORTANT NOTE! Not complete main chain atoms for residue E 412 # IMPORTANT NOTE! Not complete main chain atoms for residue K 413 # IMPORTANT NOTE! Not complete main chain atoms for residue V 414 # IMPORTANT NOTE! Not complete main chain atoms for residue I 415 # IMPORTANT NOTE! Not complete main chain atoms for residue S 416 # IMPORTANT NOTE! Not complete main chain atoms for residue V 417 # IMPORTANT NOTE! Not complete main chain atoms for residue S 418 # IMPORTANT NOTE! Not complete main chain atoms for residue E 419 # IMPORTANT NOTE! Not complete main chain atoms for residue N 420 # IMPORTANT NOTE! Not complete main chain atoms for residue T 421 # IMPORTANT NOTE! Not complete main chain atoms for residue V 422 # IMPORTANT NOTE! Not complete main chain atoms for residue F 423 # IMPORTANT NOTE! Not complete main chain atoms for residue L 424 # IMPORTANT NOTE! Not complete main chain atoms for residue F 425 # IMPORTANT NOTE! Not complete main chain atoms for residue V 426 # IMPORTANT NOTE! Not complete main chain atoms for residue G 427 # IMPORTANT NOTE! Not complete main chain atoms for residue A 428 # IMPORTANT NOTE! Not complete main chain atoms for residue G 429 # IMPORTANT NOTE! Not complete main chain atoms for residue D 430 # IMPORTANT NOTE! Not complete main chain atoms for residue I 431 # IMPORTANT NOTE! Not complete main chain atoms for residue I 432 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 433 # IMPORTANT NOTE! Not complete main chain atoms for residue S 434 # IMPORTANT NOTE! Not complete main chain atoms for residue S 435 # IMPORTANT NOTE! Not complete main chain atoms for residue R 436 # IMPORTANT NOTE! Not complete main chain atoms for residue R 437 # IMPORTANT NOTE! Not complete main chain atoms for residue F 438 # IMPORTANT NOTE! Not complete main chain atoms for residue V 439 # IMPORTANT NOTE! Not complete main chain atoms for residue E 440 # IMPORTANT NOTE! Not complete main chain atoms for residue R 441 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 442 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 443 # IMPORTANT NOTE! Not complete main chain atoms for residue S 444 # IMPORTANT NOTE! Not complete main chain atoms for residue S 445 # IMPORTANT NOTE! Not complete main chain atoms for residue K 446 # IMPORTANT NOTE! Not complete main chain atoms for residue S 447 # IMPORTANT NOTE! Not complete main chain atoms for residue S 448 # IMPORTANT NOTE! Not complete main chain atoms for residue P 449 # IMPORTANT NOTE! Not complete main chain atoms for residue S 450 # IMPORTANT NOTE! Not complete main chain atoms for residue R 451 # IMPORTANT NOTE! Not complete main chain atoms for residue V 452 # IMPORTANT NOTE! Not complete main chain atoms for residue L 453 # IMPORTANT NOTE! Not complete main chain atoms for residue G 454 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0185 # Total number of residues in target: 457 # Total number of residues in model: 401 # Total number of atoms in model: 401 # Number of atoms with 1.0 occupancy: 401 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 401 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0185 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1E8C_B ATOM 36 CA MET 1 64.726 41.656 85.147 1.00 1.00 ATOM 37 CA LYS 2 62.488 38.663 84.368 1.00 1.00 ATOM 38 CA ILE 3 59.338 38.195 86.473 1.00 1.00 ATOM 39 CA HIS 4 58.119 34.602 86.681 1.00 1.00 ATOM 40 CA PHE 5 54.505 34.101 87.769 1.00 1.00 ATOM 41 CA VAL 6 51.977 31.276 87.641 1.00 1.00 ATOM 42 CA GLY 7 49.350 32.020 85.009 1.00 1.00 ATOM 43 CA ILE 8 46.060 30.468 83.929 1.00 1.00 ATOM 44 CA GLY 9 47.810 28.155 81.461 1.00 1.00 ATOM 45 CA GLY 10 51.497 27.907 82.344 1.00 1.00 ATOM 46 CA ILE 11 54.079 28.475 85.066 1.00 1.00 ATOM 47 CA GLY 12 56.528 31.237 84.215 1.00 1.00 ATOM 48 CA MET 13 59.119 29.756 86.590 1.00 1.00 ATOM 49 CA SER 14 59.590 26.940 84.087 1.00 1.00 ATOM 50 CA ALA 15 61.194 29.478 81.739 1.00 1.00 ATOM 51 CA VAL 16 63.795 30.656 84.242 1.00 1.00 ATOM 52 CA ALA 17 66.596 28.561 82.693 1.00 1.00 ATOM 53 CA LEU 18 65.883 30.165 79.313 1.00 1.00 ATOM 54 CA HIS 19 65.872 33.646 80.838 1.00 1.00 ATOM 55 CA GLU 20 69.228 32.911 82.443 1.00 1.00 ATOM 56 CA PHE 21 70.573 31.472 79.175 1.00 1.00 ATOM 57 CA SER 22 69.554 34.771 77.563 1.00 1.00 ATOM 58 CA ASN 23 71.590 36.736 80.082 1.00 1.00 ATOM 59 CA GLY 24 68.942 38.388 82.278 1.00 1.00 ATOM 60 CA ASN 25 70.485 40.185 85.263 1.00 1.00 ATOM 61 CA ASP 26 67.976 39.066 87.890 1.00 1.00 ATOM 62 CA VAL 27 64.738 37.190 88.480 1.00 1.00 ATOM 63 CA TYR 28 61.752 37.734 90.764 1.00 1.00 ATOM 64 CA GLY 29 59.572 34.618 91.056 1.00 1.00 ATOM 65 CA SER 30 56.332 33.448 92.682 1.00 1.00 ATOM 66 CA ASN 31 57.067 31.737 96.016 1.00 1.00 ATOM 67 CA ILE 32 54.131 29.298 96.159 1.00 1.00 ATOM 68 CA GLU 33 55.152 25.650 96.690 1.00 1.00 ATOM 69 CA GLU 34 58.822 26.518 96.202 1.00 1.00 ATOM 70 CA THR 35 60.148 29.076 98.692 1.00 1.00 ATOM 71 CA GLU 36 59.430 31.356 101.631 1.00 1.00 ATOM 72 CA ARG 37 58.550 35.000 100.971 1.00 1.00 ATOM 73 CA THR 38 61.637 37.112 100.355 1.00 1.00 ATOM 74 CA ALA 39 63.869 34.069 99.916 1.00 1.00 ATOM 75 CA TYR 40 67.025 34.714 97.931 1.00 1.00 ATOM 76 CA LEU 41 68.819 32.139 95.784 1.00 1.00 ATOM 77 CA ARG 42 71.338 32.459 92.972 1.00 1.00 ATOM 79 CA LEU 44 74.621 30.773 87.659 1.00 1.00 ATOM 80 CA GLY 45 75.404 34.149 89.175 1.00 1.00 ATOM 81 CA ILE 46 71.829 35.315 88.616 1.00 1.00 ATOM 82 CA PRO 47 69.886 36.319 91.742 1.00 1.00 ATOM 83 CA ILE 48 66.453 34.705 91.999 1.00 1.00 ATOM 84 CA PHE 49 64.195 36.410 94.561 1.00 1.00 ATOM 85 CA VAL 50 60.960 34.702 95.621 1.00 1.00 ATOM 86 CA PRO 51 57.854 36.679 96.624 1.00 1.00 ATOM 87 CA HIS 52 54.454 35.430 97.791 1.00 1.00 ATOM 88 CA SER 53 51.229 36.761 96.218 1.00 1.00 ATOM 89 CA ALA 54 53.370 38.068 93.340 1.00 1.00 ATOM 90 CA ASP 55 50.485 38.635 90.879 1.00 1.00 ATOM 91 CA ASN 56 48.870 40.981 93.409 1.00 1.00 ATOM 92 CA TRP 57 51.967 43.497 94.150 1.00 1.00 ATOM 93 CA GLU 87 53.239 43.274 90.387 1.00 1.00 ATOM 94 CA ASN 88 51.668 46.613 89.537 1.00 1.00 ATOM 95 CA ARG 89 53.207 48.093 92.694 1.00 1.00 ATOM 96 CA LEU 90 56.594 46.523 91.940 1.00 1.00 ATOM 97 CA HIS 91 56.587 47.792 88.344 1.00 1.00 ATOM 98 CA TYR 92 55.399 51.202 89.500 1.00 1.00 ATOM 99 CA PHE 93 58.496 51.421 91.694 1.00 1.00 ATOM 100 CA ARG 94 60.754 50.175 88.880 1.00 1.00 ATOM 101 CA ASP 95 59.425 52.830 86.480 1.00 1.00 ATOM 102 CA THR 96 59.224 55.671 89.033 1.00 1.00 ATOM 103 CA LEU 97 55.431 55.923 89.454 1.00 1.00 ATOM 104 CA LYS 98 54.502 57.114 85.929 1.00 1.00 ATOM 105 CA ARG 99 50.804 57.604 86.729 1.00 1.00 ATOM 106 CA GLU 100 51.803 60.399 89.117 1.00 1.00 ATOM 107 CA LYS 101 53.421 62.357 86.289 1.00 1.00 ATOM 108 CA LYS 102 50.469 62.596 83.932 1.00 1.00 ATOM 109 CA GLU 103 46.688 62.720 84.187 1.00 1.00 ATOM 110 CA GLU 104 45.338 59.213 83.865 1.00 1.00 ATOM 111 CA PHE 105 41.705 58.473 83.117 1.00 1.00 ATOM 112 CA ALA 106 40.412 54.922 83.363 1.00 1.00 ATOM 113 CA VAL 107 37.302 53.803 81.489 1.00 1.00 ATOM 114 CA THR 108 35.441 50.570 82.217 1.00 1.00 ATOM 115 CA GLY 109 32.146 49.148 81.023 1.00 1.00 ATOM 116 CA THR 110 30.802 46.497 78.676 1.00 1.00 ATOM 117 CA ASP 111 30.541 48.697 75.574 1.00 1.00 ATOM 118 CA GLY 112 32.111 51.980 74.470 1.00 1.00 ATOM 119 CA LYS 113 35.420 51.988 76.350 1.00 1.00 ATOM 120 CA THR 114 37.364 52.488 73.111 1.00 1.00 ATOM 121 CA THR 115 35.292 55.332 71.714 1.00 1.00 ATOM 122 CA THR 116 35.183 57.051 75.098 1.00 1.00 ATOM 123 CA THR 117 38.950 56.790 75.676 1.00 1.00 ATOM 124 CA ALA 118 39.722 57.965 72.133 1.00 1.00 ATOM 125 CA MET 119 37.364 60.944 72.496 1.00 1.00 ATOM 126 CA VAL 120 38.954 61.886 75.821 1.00 1.00 ATOM 127 CA ALA 121 42.419 61.831 74.251 1.00 1.00 ATOM 128 CA HIS 122 41.348 63.706 71.104 1.00 1.00 ATOM 129 CA VAL 123 39.492 66.380 73.057 1.00 1.00 ATOM 130 CA LEU 124 42.293 66.915 75.568 1.00 1.00 ATOM 131 CA LYS 125 44.776 67.322 72.704 1.00 1.00 ATOM 132 CA HIS 126 42.445 69.896 71.132 1.00 1.00 ATOM 133 CA LEU 127 42.656 71.675 74.484 1.00 1.00 ATOM 134 CA ARG 128 46.413 72.045 74.344 1.00 1.00 ATOM 135 CA LYS 129 47.761 68.827 75.823 1.00 1.00 ATOM 136 CA SER 130 50.003 66.045 74.544 1.00 1.00 ATOM 137 CA PRO 131 47.688 63.033 74.973 1.00 1.00 ATOM 138 CA THR 132 47.953 59.275 74.728 1.00 1.00 ATOM 139 CA VAL 133 45.566 56.317 74.658 1.00 1.00 ATOM 141 CA LEU 135 43.155 50.148 74.605 1.00 1.00 ATOM 142 CA GLY 136 41.747 47.743 72.064 1.00 1.00 ATOM 143 CA GLY 137 42.845 49.647 68.970 1.00 1.00 ATOM 144 CA ILE 138 46.356 50.293 70.270 1.00 1.00 ATOM 145 CA MET 139 48.621 52.119 72.711 1.00 1.00 ATOM 146 CA ASP 140 50.642 55.303 72.222 1.00 1.00 ATOM 147 CA SER 141 50.458 59.051 71.619 1.00 1.00 ATOM 148 CA LEU 142 47.381 60.066 69.637 1.00 1.00 ATOM 149 CA GLU 143 47.911 59.350 65.950 1.00 1.00 ATOM 169 CA HIS 144 56.734 55.493 81.673 1.00 1.00 ATOM 170 CA GLY 145 57.466 55.588 77.959 1.00 1.00 ATOM 171 CA ASN 146 54.617 58.030 77.367 1.00 1.00 ATOM 172 CA TYR 147 55.847 60.307 80.137 1.00 1.00 ATOM 173 CA GLU 148 59.321 60.253 78.553 1.00 1.00 ATOM 174 CA LYS 149 57.698 61.319 75.277 1.00 1.00 ATOM 175 CA GLY 150 56.072 64.350 76.887 1.00 1.00 ATOM 176 CA ASN 151 52.512 63.047 77.269 1.00 1.00 ATOM 177 CA GLY 152 50.609 64.850 80.023 1.00 1.00 ATOM 178 CA PRO 153 47.271 63.064 79.612 1.00 1.00 ATOM 179 CA VAL 154 46.304 59.437 78.971 1.00 1.00 ATOM 180 CA VAL 155 42.925 57.696 78.709 1.00 1.00 ATOM 182 CA GLU 157 40.559 51.124 78.824 1.00 1.00 ATOM 183 CA LEU 158 40.247 49.125 82.046 1.00 1.00 ATOM 184 CA ASP 159 38.663 45.717 81.473 1.00 1.00 ATOM 185 CA GLU 160 36.894 43.613 84.081 1.00 1.00 ATOM 186 CA SER 161 39.539 40.934 83.409 1.00 1.00 ATOM 187 CA GLU 162 42.283 43.450 84.131 1.00 1.00 ATOM 188 CA GLU 163 40.654 44.554 87.371 1.00 1.00 ATOM 189 CA PHE 164 40.231 41.028 88.734 1.00 1.00 ATOM 193 CA PHE 165 46.149 48.253 87.232 1.00 1.00 ATOM 194 CA SER 166 46.273 47.728 91.003 1.00 1.00 ATOM 195 CA GLU 167 48.776 50.474 91.842 1.00 1.00 ATOM 196 CA PHE 168 47.863 53.098 89.229 1.00 1.00 ATOM 197 CA SER 169 46.664 56.532 90.295 1.00 1.00 ATOM 198 CA PRO 170 43.658 57.582 88.248 1.00 1.00 ATOM 199 CA ASN 171 42.576 61.205 87.981 1.00 1.00 ATOM 200 CA TYR 172 39.095 59.966 87.047 1.00 1.00 ATOM 201 CA LEU 173 37.305 56.638 86.490 1.00 1.00 ATOM 202 CA ILE 174 34.458 56.387 83.989 1.00 1.00 ATOM 203 CA ILE 175 31.694 53.771 83.845 1.00 1.00 ATOM 204 CA THR 176 29.916 53.415 80.503 1.00 1.00 ATOM 205 CA ASN 177 27.454 50.563 81.044 1.00 1.00 ATOM 206 CA ALA 178 27.051 46.898 81.951 1.00 1.00 ATOM 207 CA ARG 179 25.263 44.251 79.885 1.00 1.00 ATOM 208 CA GLY 180 25.620 40.535 79.158 1.00 1.00 ATOM 209 CA ASP 181 29.165 39.548 78.232 1.00 1.00 ATOM 210 CA HIS 182 32.225 37.712 79.514 1.00 1.00 ATOM 211 CA LEU 183 30.182 35.220 81.544 1.00 1.00 ATOM 212 CA GLU 184 32.513 32.479 80.305 1.00 1.00 ATOM 213 CA ASN 185 35.083 34.136 82.551 1.00 1.00 ATOM 214 CA TYR 186 32.978 35.673 85.330 1.00 1.00 ATOM 215 CA GLY 187 30.223 33.051 85.519 1.00 1.00 ATOM 216 CA SER 189 27.290 35.368 86.238 1.00 1.00 ATOM 218 CA THR 191 26.740 39.371 89.859 1.00 1.00 ATOM 219 CA ARG 192 30.445 38.489 89.617 1.00 1.00 ATOM 220 CA TYR 193 30.861 40.591 86.474 1.00 1.00 ATOM 221 CA ARG 194 29.444 43.675 88.201 1.00 1.00 ATOM 222 CA SER 195 31.591 43.020 91.276 1.00 1.00 ATOM 223 CA ALA 196 34.688 42.901 89.069 1.00 1.00 ATOM 225 CA GLU 198 33.150 47.638 91.080 1.00 1.00 ATOM 226 CA LYS 199 36.764 46.933 92.108 1.00 1.00 ATOM 227 CA ILE 200 37.857 50.049 90.204 1.00 1.00 ATOM 228 CA SER 201 35.913 52.271 92.607 1.00 1.00 ATOM 229 CA ARG 202 36.394 50.226 95.776 1.00 1.00 ATOM 232 CA ASN 203 42.855 55.038 93.564 1.00 1.00 ATOM 233 CA THR 204 40.044 55.900 91.174 1.00 1.00 ATOM 234 CA ASP 205 39.986 59.656 91.569 1.00 1.00 ATOM 235 CA LEU 206 36.763 61.321 90.429 1.00 1.00 ATOM 236 CA VAL 207 33.907 59.033 89.422 1.00 1.00 ATOM 237 CA VAL 208 31.897 59.692 86.239 1.00 1.00 ATOM 238 CA THR 209 28.929 57.319 85.905 1.00 1.00 ATOM 239 CA PHE 210 26.357 56.701 83.177 1.00 1.00 ATOM 240 CA ALA 211 22.986 57.084 84.939 1.00 1.00 ATOM 241 CA GLU 212 20.989 55.586 82.049 1.00 1.00 ATOM 242 CA ASP 213 22.337 52.211 83.175 1.00 1.00 ATOM 243 CA GLU 214 20.556 50.305 85.971 1.00 1.00 ATOM 244 CA LEU 215 23.882 49.341 87.547 1.00 1.00 ATOM 245 CA THR 216 25.001 52.933 87.133 1.00 1.00 ATOM 246 CA SER 217 22.175 54.374 89.214 1.00 1.00 ATOM 247 CA HIS 218 22.830 51.927 92.045 1.00 1.00 ATOM 248 CA LEU 219 26.538 52.810 92.134 1.00 1.00 ATOM 249 CA GLY 220 25.674 56.519 92.092 1.00 1.00 ATOM 250 CA ASP 221 23.661 55.897 95.244 1.00 1.00 ATOM 251 CA VAL 222 27.005 54.834 96.786 1.00 1.00 ATOM 252 CA THR 223 29.141 57.645 95.363 1.00 1.00 ATOM 253 CA PHE 224 28.012 61.048 96.772 1.00 1.00 ATOM 254 CA GLY 225 30.582 63.123 94.869 1.00 1.00 ATOM 255 CA LYS 228 30.339 61.279 91.540 1.00 1.00 ATOM 256 CA GLY 229 29.226 62.950 88.308 1.00 1.00 ATOM 257 CA THR 230 26.001 61.500 86.894 1.00 1.00 ATOM 258 CA TYR 231 25.537 61.507 83.122 1.00 1.00 ATOM 259 CA THR 232 22.272 60.880 81.317 1.00 1.00 ATOM 261 CA GLU 234 17.441 59.453 78.720 1.00 1.00 ATOM 262 CA MET 235 16.548 61.837 81.561 1.00 1.00 ATOM 263 CA ARG 236 17.833 60.013 84.659 1.00 1.00 ATOM 264 CA SER 237 19.573 62.980 86.270 1.00 1.00 ATOM 272 CA ALA 238 25.550 66.113 86.569 1.00 1.00 ATOM 273 CA SER 239 25.177 66.479 82.814 1.00 1.00 ATOM 274 CA ARG 240 22.227 65.475 80.668 1.00 1.00 ATOM 275 CA ALA 241 21.201 65.658 77.034 1.00 1.00 ATOM 276 CA GLU 242 17.991 67.653 76.641 1.00 1.00 ATOM 277 CA GLN 243 17.488 67.232 72.902 1.00 1.00 ATOM 278 CA LYS 244 19.182 65.109 70.246 1.00 1.00 ATOM 279 CA ALA 245 18.652 65.240 66.479 1.00 1.00 ATOM 287 CA MET 246 23.157 67.576 70.958 1.00 1.00 ATOM 288 CA VAL 247 21.591 70.094 73.319 1.00 1.00 ATOM 289 CA GLU 248 22.509 69.633 76.983 1.00 1.00 ATOM 290 CA LYS 249 22.501 71.179 80.452 1.00 1.00 ATOM 291 CA ASN 250 24.864 70.600 83.378 1.00 1.00 ATOM 292 CA GLY 251 26.336 71.742 86.689 1.00 1.00 ATOM 293 CA LYS 252 28.800 73.714 84.553 1.00 1.00 ATOM 294 CA ARG 253 26.215 75.281 82.269 1.00 1.00 ATOM 295 CA TYR 254 24.179 74.684 79.116 1.00 1.00 ATOM 296 CA LEU 255 25.364 74.305 75.540 1.00 1.00 ATOM 297 CA GLU 256 24.983 72.618 72.166 1.00 1.00 ATOM 298 CA LEU 257 27.338 70.196 70.443 1.00 1.00 ATOM 299 CA LYS 258 27.498 69.262 66.782 1.00 1.00 ATOM 300 CA LEU 259 28.797 65.680 66.728 1.00 1.00 ATOM 301 CA LYS 260 30.113 63.729 63.742 1.00 1.00 ATOM 302 CA VAL 261 29.614 60.354 65.433 1.00 1.00 ATOM 304 CA GLY 263 23.933 56.780 66.788 1.00 1.00 ATOM 305 CA PHE 264 22.548 57.243 70.293 1.00 1.00 ATOM 306 CA HIS 265 25.300 54.991 71.668 1.00 1.00 ATOM 307 CA ASN 266 27.932 57.484 70.526 1.00 1.00 ATOM 308 CA VAL 267 25.929 60.329 72.046 1.00 1.00 ATOM 309 CA LEU 268 26.361 58.570 75.384 1.00 1.00 ATOM 310 CA ASN 269 30.115 58.050 74.879 1.00 1.00 ATOM 311 CA ALA 270 30.592 61.688 73.899 1.00 1.00 ATOM 312 CA LEU 271 28.697 62.959 76.950 1.00 1.00 ATOM 313 CA ALA 272 30.707 60.732 79.290 1.00 1.00 ATOM 314 CA VAL 273 33.887 62.204 77.813 1.00 1.00 ATOM 315 CA ILE 274 32.525 65.751 78.173 1.00 1.00 ATOM 316 CA ALA 275 31.490 65.294 81.808 1.00 1.00 ATOM 317 CA LEU 276 34.894 63.784 82.594 1.00 1.00 ATOM 318 CA PHE 277 36.807 66.735 81.124 1.00 1.00 ATOM 319 CA ASP 278 34.541 69.231 82.904 1.00 1.00 ATOM 320 CA SER 279 35.114 67.425 86.211 1.00 1.00 ATOM 321 CA LEU 280 38.850 67.584 85.524 1.00 1.00 ATOM 322 CA GLY 281 38.798 71.375 85.272 1.00 1.00 ATOM 323 CA TYR 282 38.626 72.004 81.513 1.00 1.00 ATOM 324 CA ASP 283 36.407 75.039 80.712 1.00 1.00 ATOM 325 CA LEU 284 33.078 74.425 78.985 1.00 1.00 ATOM 326 CA ALA 285 33.505 77.177 76.392 1.00 1.00 ATOM 327 CA PRO 286 36.793 75.681 75.165 1.00 1.00 ATOM 328 CA VAL 287 35.299 72.189 74.916 1.00 1.00 ATOM 329 CA LEU 288 32.312 73.422 72.903 1.00 1.00 ATOM 330 CA GLU 289 34.560 75.230 70.416 1.00 1.00 ATOM 331 CA ALA 290 36.487 72.033 69.687 1.00 1.00 ATOM 332 CA LEU 291 33.747 69.382 69.858 1.00 1.00 ATOM 333 CA GLU 292 33.204 69.704 66.106 1.00 1.00 ATOM 334 CA GLU 293 36.685 68.352 65.330 1.00 1.00 ATOM 335 CA PHE 294 36.161 65.096 67.232 1.00 1.00 ATOM 336 CA ARG 295 36.511 62.023 64.998 1.00 1.00 ATOM 337 CA GLY 296 34.933 58.537 65.159 1.00 1.00 ATOM 338 CA VAL 297 37.123 55.498 65.884 1.00 1.00 ATOM 339 CA HIS 298 38.211 52.767 63.470 1.00 1.00 ATOM 340 CA ARG 299 35.810 49.833 63.155 1.00 1.00 ATOM 341 CA ARG 300 33.071 51.576 65.063 1.00 1.00 ATOM 343 CA SER 302 32.148 52.972 60.040 1.00 1.00 ATOM 344 CA ILE 303 29.940 53.931 57.082 1.00 1.00 ATOM 345 CA ALA 304 30.938 53.014 53.508 1.00 1.00 ATOM 346 CA PHE 305 28.859 54.660 50.760 1.00 1.00 ATOM 347 CA HIS 306 29.302 54.179 47.000 1.00 1.00 ATOM 348 CA GLU 309 27.080 54.643 43.919 1.00 1.00 ATOM 349 CA THR 310 25.272 51.552 42.666 1.00 1.00 ATOM 350 CA ASN 311 25.905 49.698 45.919 1.00 1.00 ATOM 351 CA ILE 312 24.166 49.467 49.316 1.00 1.00 ATOM 352 CA TYR 313 25.476 51.471 52.255 1.00 1.00 ATOM 353 CA VAL 314 27.669 49.244 54.419 1.00 1.00 ATOM 354 CA ILE 315 28.333 49.805 58.117 1.00 1.00 ATOM 355 CA ASP 316 31.146 48.039 59.918 1.00 1.00 ATOM 356 CA ASP 317 30.777 47.905 63.706 1.00 1.00 ATOM 357 CA TYR 318 32.466 46.090 66.589 1.00 1.00 ATOM 358 CA ALA 319 29.118 45.143 68.199 1.00 1.00 ATOM 359 CA HIS 320 29.565 41.622 69.574 1.00 1.00 ATOM 360 CA THR 321 27.129 41.578 72.521 1.00 1.00 ATOM 361 CA PRO 322 23.302 41.389 72.547 1.00 1.00 ATOM 362 CA ASP 323 22.926 44.979 73.741 1.00 1.00 ATOM 363 CA GLU 324 25.495 46.440 71.345 1.00 1.00 ATOM 364 CA ILE 325 24.010 44.634 68.341 1.00 1.00 ATOM 365 CA ARG 326 20.509 45.916 69.055 1.00 1.00 ATOM 366 CA ASN 327 21.746 49.497 69.346 1.00 1.00 ATOM 367 CA LEU 328 23.770 49.193 66.131 1.00 1.00 ATOM 368 CA LEU 329 20.782 47.891 64.171 1.00 1.00 ATOM 369 CA GLN 330 18.409 50.547 65.538 1.00 1.00 ATOM 370 CA THR 331 20.940 53.163 64.459 1.00 1.00 ATOM 371 CA ALA 332 21.508 51.551 61.058 1.00 1.00 ATOM 372 CA LYS 333 17.788 51.475 60.280 1.00 1.00 ATOM 373 CA GLU 334 17.217 55.200 60.871 1.00 1.00 ATOM 374 CA VAL 335 19.624 55.664 57.962 1.00 1.00 ATOM 375 CA PHE 336 17.967 52.855 55.975 1.00 1.00 ATOM 376 CA GLU 337 15.297 53.569 53.346 1.00 1.00 ATOM 377 CA ASN 338 15.269 50.018 52.012 1.00 1.00 ATOM 378 CA GLU 339 16.025 46.670 53.641 1.00 1.00 ATOM 379 CA LYS 340 18.403 46.251 56.580 1.00 1.00 ATOM 380 CA ILE 341 20.805 43.303 56.391 1.00 1.00 ATOM 381 CA VAL 342 22.774 41.977 59.360 1.00 1.00 ATOM 382 CA VAL 343 25.905 39.893 58.816 1.00 1.00 ATOM 383 CA ILE 344 27.249 38.484 62.071 1.00 1.00 ATOM 384 CA PHE 345 28.518 35.515 64.032 1.00 1.00 ATOM 385 CA GLN 346 29.733 34.755 67.550 1.00 1.00 ATOM 386 CA PRO 347 33.189 34.054 68.897 1.00 1.00 ATOM 387 CA HIS 348 34.076 30.482 69.728 1.00 1.00 ATOM 388 CA ARG 349 35.242 29.474 73.198 1.00 1.00 ATOM 389 CA TYR 350 33.282 32.265 74.860 1.00 1.00 ATOM 390 CA SER 351 29.940 33.338 76.354 1.00 1.00 ATOM 391 CA ARG 352 27.707 30.658 74.800 1.00 1.00 ATOM 392 CA LEU 353 24.530 31.985 76.389 1.00 1.00 ATOM 393 CA GLU 354 24.642 35.223 74.414 1.00 1.00 ATOM 394 CA ARG 355 24.372 33.314 71.132 1.00 1.00 ATOM 395 CA GLU 356 20.573 32.770 71.275 1.00 1.00 ATOM 396 CA ASP 357 20.069 36.341 72.459 1.00 1.00 ATOM 398 CA PHE 360 20.090 35.406 67.042 1.00 1.00 ATOM 399 CA ALA 361 16.774 36.642 68.416 1.00 1.00 ATOM 400 CA LYS 362 17.938 40.265 68.152 1.00 1.00 ATOM 401 CA ALA 363 19.141 40.025 64.550 1.00 1.00 ATOM 402 CA LEU 364 15.797 38.454 63.668 1.00 1.00 ATOM 403 CA GLN 365 13.724 41.199 65.319 1.00 1.00 ATOM 404 CA LEU 366 15.634 44.327 64.280 1.00 1.00 ATOM 405 CA ALA 367 16.923 43.272 60.855 1.00 1.00 ATOM 406 CA ASP 368 15.055 42.441 57.648 1.00 1.00 ATOM 407 CA GLU 369 17.619 39.848 56.535 1.00 1.00 ATOM 408 CA VAL 370 19.807 37.910 58.962 1.00 1.00 ATOM 409 CA VAL 371 23.085 36.522 57.631 1.00 1.00 ATOM 410 CA VAL 372 24.673 34.171 60.155 1.00 1.00 ATOM 411 CA THR 373 28.330 33.321 59.592 1.00 1.00 ATOM 412 CA GLU 374 31.632 32.825 61.432 1.00 1.00 ATOM 413 CA VAL 375 33.407 35.353 63.678 1.00 1.00 ATOM 414 CA TYR 376 36.455 34.022 65.543 1.00 1.00 ATOM 415 CA ASP 377 35.619 30.264 65.757 1.00 1.00 ATOM 416 CA ALA 378 38.841 29.539 67.626 1.00 1.00 ATOM 417 CA PHE 379 38.763 25.867 68.688 1.00 1.00 ATOM 418 CA GLU 380 34.967 25.394 68.627 1.00 1.00 ATOM 419 CA GLU 381 33.184 23.724 65.714 1.00 1.00 ATOM 420 CA LYS 382 31.982 26.584 63.453 1.00 1.00 ATOM 421 CA LYS 383 28.469 25.286 62.783 1.00 1.00 ATOM 422 CA ASN 384 27.957 24.361 66.439 1.00 1.00 ATOM 423 CA GLY 385 28.279 28.070 67.143 1.00 1.00 ATOM 424 CA ILE 386 25.903 28.875 64.293 1.00 1.00 ATOM 425 CA SER 387 23.289 26.411 65.571 1.00 1.00 ATOM 426 CA GLY 388 23.287 28.045 69.006 1.00 1.00 ATOM 427 CA ILE 391 22.538 31.367 67.326 1.00 1.00 ATOM 428 CA TRP 392 19.656 30.020 65.222 1.00 1.00 ATOM 429 CA ASP 393 18.250 28.237 68.289 1.00 1.00 ATOM 430 CA SER 394 17.293 31.693 69.532 1.00 1.00 ATOM 432 CA LYS 396 11.490 32.067 65.932 1.00 1.00 ATOM 433 CA SER 397 11.942 31.012 62.309 1.00 1.00 ATOM 434 CA LEU 398 15.518 29.735 62.147 1.00 1.00 ATOM 435 CA GLY 399 14.687 28.775 58.572 1.00 1.00 ATOM 437 CA VAL 405 17.897 33.161 58.171 1.00 1.00 ATOM 438 CA GLU 406 20.727 33.034 55.630 1.00 1.00 ATOM 439 CA LYS 407 23.416 30.679 56.940 1.00 1.00 ATOM 441 CA PRO 409 30.147 29.443 56.777 1.00 1.00 ATOM 442 CA GLU 410 33.035 31.549 55.511 1.00 1.00 ATOM 443 CA LEU 411 32.878 35.139 56.710 1.00 1.00 ATOM 444 CA GLU 412 34.561 36.664 53.650 1.00 1.00 ATOM 445 CA LYS 413 32.125 34.789 51.424 1.00 1.00 ATOM 446 CA VAL 414 29.132 35.755 53.588 1.00 1.00 ATOM 447 CA ILE 415 30.013 39.456 53.657 1.00 1.00 ATOM 448 CA SER 416 30.569 39.371 49.886 1.00 1.00 ATOM 449 CA VAL 417 27.278 37.608 49.094 1.00 1.00 ATOM 455 CA SER 418 20.110 46.609 46.653 1.00 1.00 ATOM 456 CA GLU 419 21.366 50.202 46.439 1.00 1.00 ATOM 457 CA ASN 420 18.802 51.538 48.932 1.00 1.00 ATOM 458 CA THR 421 19.576 48.794 51.451 1.00 1.00 ATOM 459 CA VAL 422 21.976 48.968 54.394 1.00 1.00 ATOM 460 CA PHE 423 24.241 46.094 55.392 1.00 1.00 ATOM 461 CA LEU 424 25.566 45.935 58.949 1.00 1.00 ATOM 462 CA PHE 425 28.709 43.816 59.310 1.00 1.00 ATOM 463 CA VAL 426 29.118 43.302 63.038 1.00 1.00 ATOM 464 CA GLY 427 31.415 41.568 65.465 1.00 1.00 ATOM 465 CA ALA 428 34.933 42.365 64.299 1.00 1.00 ATOM 466 CA GLY 429 35.199 46.131 64.005 1.00 1.00 ATOM 467 CA ASP 430 38.885 47.060 63.688 1.00 1.00 ATOM 468 CA ILE 431 40.193 43.464 63.769 1.00 1.00 ATOM 469 CA ILE 432 42.450 42.583 60.833 1.00 1.00 ATOM 470 CA TYR 433 42.815 38.926 61.760 1.00 1.00 ATOM 471 CA SER 434 40.545 35.907 62.222 1.00 1.00 ATOM 472 CA SER 435 41.243 33.171 64.768 1.00 1.00 ATOM 473 CA ARG 436 40.579 29.679 63.405 1.00 1.00 ATOM 474 CA ARG 437 41.911 26.813 65.489 1.00 1.00 ATOM 475 CA PHE 438 45.056 28.278 67.033 1.00 1.00 ATOM 476 CA VAL 439 46.037 30.185 63.878 1.00 1.00 ATOM 477 CA GLU 440 45.723 33.957 63.418 1.00 1.00 ATOM 478 CA ARG 441 44.651 34.261 59.794 1.00 1.00 ATOM 479 CA TYR 442 44.809 37.508 57.844 1.00 1.00 ATOM 480 CA GLN 443 41.284 38.865 57.331 1.00 1.00 ATOM 481 CA SER 444 39.537 42.214 57.688 1.00 1.00 ATOM 482 CA SER 445 35.874 43.218 57.290 1.00 1.00 ATOM 483 CA LYS 446 36.982 46.796 56.636 1.00 1.00 ATOM 484 CA SER 447 39.313 45.829 53.796 1.00 1.00 ATOM 485 CA SER 448 36.818 43.340 52.383 1.00 1.00 ATOM 486 CA PRO 449 34.082 45.972 52.378 1.00 1.00 ATOM 487 CA SER 450 36.304 48.777 51.073 1.00 1.00 ATOM 488 CA ARG 451 37.452 46.626 48.146 1.00 1.00 ATOM 489 CA VAL 452 33.880 45.634 47.285 1.00 1.00 ATOM 490 CA LEU 453 32.588 49.229 47.227 1.00 1.00 ATOM 491 CA GLY 454 35.792 50.819 45.940 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 10:58:32 2002 Date: Wed, 21 Aug 2002 10:58:27 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0185 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 Wed Aug 21 10:29:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_451428_29786 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0185TS007_3 Current information on models submitted in prediction T0185TS007 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_3 PIN_451428_29786 6269-7633-6117 08/21/02 10:29:34 casp5@bialko.llnl.gov T0185TS007_5 PIN_441824_29783 6269-7633-6117 08/21/02 10:28:40 casp5@bialko.llnl.gov T0185TS007_4 PIN_412615_29774 6269-7633-6117 08/21/02 10:25:47 casp5@bialko.llnl.gov T0185TS007_2 PIN_389175_29767 6269-7633-6117 08/21/02 10:23:13 casp5@bialko.llnl.gov T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 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 T0185 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 casp5@bialko.llnl.gov T0185TS007_2 PIN_389175_29767 6269-7633-6117 08/21/02 10:23:13 casp5@bialko.llnl.gov T0185TS007_3 PIN_451428_29786 6269-7633-6117 08/21/02 10:29:34 casp5@bialko.llnl.gov T0185TS007_4 PIN_412615_29774 6269-7633-6117 08/21/02 10:25:47 casp5@bialko.llnl.gov T0185TS007_5 PIN_441824_29783 6269-7633-6117 08/21/02 10:28:40 casp5@bialko.llnl.gov T0185SS007_1 PIN_675024_24608 6269-7633-6117 08/15/02 06:54:20 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 T0185 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1EEH_A # Loading PARENT structure: 1eeh (chain: A) # Number of residues in PARENT structure: 431 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue G 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue I 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue S 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue T 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue A 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue I 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue V 50 # IMPORTANT NOTE! Not complete main chain atoms for residue P 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue N 56 # IMPORTANT NOTE! Not complete main chain atoms for residue W 57 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue L 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue P 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue N 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue M 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue I 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue F 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue G 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 147 # IMPORTANT NOTE! Not complete main chain atoms for residue E 148 # IMPORTANT NOTE! Not complete main chain atoms for residue K 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue N 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue V 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue P 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue N 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue N 188 # IMPORTANT NOTE! Not complete main chain atoms for residue S 189 # IMPORTANT NOTE! Not complete main chain atoms for residue L 190 # IMPORTANT NOTE! Not complete main chain atoms for residue T 191 # IMPORTANT NOTE! Not complete main chain atoms for residue R 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue S 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue S 201 # IMPORTANT NOTE! Not complete main chain atoms for residue R 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue T 204 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue T 216 # IMPORTANT NOTE! Not complete main chain atoms for residue S 217 # IMPORTANT NOTE! Not complete main chain atoms for residue H 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue G 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue G 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue E 234 # IMPORTANT NOTE! Not complete main chain atoms for residue M 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue M 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue N 250 # IMPORTANT NOTE! Not complete main chain atoms for residue G 251 # IMPORTANT NOTE! Not complete main chain atoms for residue K 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue E 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue L 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue P 262 # IMPORTANT NOTE! Not complete main chain atoms for residue G 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue H 265 # IMPORTANT NOTE! Not complete main chain atoms for residue N 266 # IMPORTANT NOTE! Not complete main chain atoms for residue V 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue N 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue I 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue F 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue S 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue G 281 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 282 # IMPORTANT NOTE! Not complete main chain atoms for residue D 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue A 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue V 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue E 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue G 296 # IMPORTANT NOTE! Not complete main chain atoms for residue V 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue R 300 # IMPORTANT NOTE! Not complete main chain atoms for residue F 301 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue I 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue H 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue N 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 313 # IMPORTANT NOTE! Not complete main chain atoms for residue V 314 # IMPORTANT NOTE! Not complete main chain atoms for residue I 315 # IMPORTANT NOTE! Not complete main chain atoms for residue D 316 # IMPORTANT NOTE! Not complete main chain atoms for residue D 317 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 318 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # IMPORTANT NOTE! Not complete main chain atoms for residue H 320 # IMPORTANT NOTE! Not complete main chain atoms for residue T 321 # IMPORTANT NOTE! Not complete main chain atoms for residue P 322 # IMPORTANT NOTE! Not complete main chain atoms for residue D 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue I 325 # IMPORTANT NOTE! Not complete main chain atoms for residue R 326 # IMPORTANT NOTE! Not complete main chain atoms for residue N 327 # IMPORTANT NOTE! Not complete main chain atoms for residue L 328 # IMPORTANT NOTE! Not complete main chain atoms for residue L 329 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 330 # IMPORTANT NOTE! Not complete main chain atoms for residue T 331 # IMPORTANT NOTE! Not complete main chain atoms for residue A 332 # IMPORTANT NOTE! Not complete main chain atoms for residue K 333 # IMPORTANT NOTE! Not complete main chain atoms for residue F 336 # IMPORTANT NOTE! Not complete main chain atoms for residue E 337 # IMPORTANT NOTE! Not complete main chain atoms for residue N 338 # IMPORTANT NOTE! Not complete main chain atoms for residue K 340 # IMPORTANT NOTE! Not complete main chain atoms for residue I 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue V 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue F 345 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 346 # IMPORTANT NOTE! Not complete main chain atoms for residue P 347 # IMPORTANT NOTE! Not complete main chain atoms for residue H 348 # IMPORTANT NOTE! Not complete main chain atoms for residue R 349 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 350 # IMPORTANT NOTE! Not complete main chain atoms for residue S 351 # IMPORTANT NOTE! Not complete main chain atoms for residue R 352 # IMPORTANT NOTE! Not complete main chain atoms for residue L 353 # IMPORTANT NOTE! Not complete main chain atoms for residue E 354 # IMPORTANT NOTE! Not complete main chain atoms for residue R 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue D 357 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue A 361 # IMPORTANT NOTE! Not complete main chain atoms for residue K 362 # IMPORTANT NOTE! Not complete main chain atoms for residue A 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 365 # IMPORTANT NOTE! Not complete main chain atoms for residue L 366 # IMPORTANT NOTE! Not complete main chain atoms for residue A 367 # IMPORTANT NOTE! Not complete main chain atoms for residue D 368 # IMPORTANT NOTE! Not complete main chain atoms for residue E 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue V 371 # IMPORTANT NOTE! Not complete main chain atoms for residue V 372 # IMPORTANT NOTE! Not complete main chain atoms for residue T 373 # IMPORTANT NOTE! Not complete main chain atoms for residue E 374 # IMPORTANT NOTE! Not complete main chain atoms for residue I 386 # IMPORTANT NOTE! Not complete main chain atoms for residue S 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue I 391 # IMPORTANT NOTE! Not complete main chain atoms for residue W 392 # IMPORTANT NOTE! Not complete main chain atoms for residue D 393 # IMPORTANT NOTE! Not complete main chain atoms for residue S 394 # IMPORTANT NOTE! Not complete main chain atoms for residue L 395 # IMPORTANT NOTE! Not complete main chain atoms for residue K 396 # IMPORTANT NOTE! Not complete main chain atoms for residue S 397 # IMPORTANT NOTE! Not complete main chain atoms for residue L 398 # IMPORTANT NOTE! Not complete main chain atoms for residue G 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue E 406 # IMPORTANT NOTE! Not complete main chain atoms for residue K 407 # IMPORTANT NOTE! Not complete main chain atoms for residue L 408 # IMPORTANT NOTE! Not complete main chain atoms for residue P 409 # IMPORTANT NOTE! Not complete main chain atoms for residue E 410 # IMPORTANT NOTE! Not complete main chain atoms for residue L 411 # IMPORTANT NOTE! Not complete main chain atoms for residue E 412 # IMPORTANT NOTE! Not complete main chain atoms for residue K 413 # IMPORTANT NOTE! Not complete main chain atoms for residue V 414 # IMPORTANT NOTE! Not complete main chain atoms for residue I 415 # IMPORTANT NOTE! Not complete main chain atoms for residue S 416 # IMPORTANT NOTE! Not complete main chain atoms for residue V 417 # IMPORTANT NOTE! Not complete main chain atoms for residue S 418 # IMPORTANT NOTE! Not complete main chain atoms for residue E 419 # IMPORTANT NOTE! Not complete main chain atoms for residue N 420 # IMPORTANT NOTE! Not complete main chain atoms for residue T 421 # IMPORTANT NOTE! Not complete main chain atoms for residue V 422 # IMPORTANT NOTE! Not complete main chain atoms for residue F 423 # IMPORTANT NOTE! Not complete main chain atoms for residue L 424 # IMPORTANT NOTE! Not complete main chain atoms for residue F 425 # IMPORTANT NOTE! Not complete main chain atoms for residue V 426 # IMPORTANT NOTE! Not complete main chain atoms for residue G 427 # IMPORTANT NOTE! Not complete main chain atoms for residue A 428 # IMPORTANT NOTE! Not complete main chain atoms for residue G 429 # IMPORTANT NOTE! Not complete main chain atoms for residue D 430 # IMPORTANT NOTE! Not complete main chain atoms for residue I 431 # IMPORTANT NOTE! Not complete main chain atoms for residue I 432 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 433 # IMPORTANT NOTE! Not complete main chain atoms for residue S 434 # IMPORTANT NOTE! Not complete main chain atoms for residue S 435 # IMPORTANT NOTE! Not complete main chain atoms for residue R 436 # IMPORTANT NOTE! Not complete main chain atoms for residue R 437 # IMPORTANT NOTE! Not complete main chain atoms for residue F 438 # IMPORTANT NOTE! Not complete main chain atoms for residue V 439 # IMPORTANT NOTE! Not complete main chain atoms for residue E 440 # IMPORTANT NOTE! Not complete main chain atoms for residue R 441 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 442 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 443 # IMPORTANT NOTE! Not complete main chain atoms for residue S 444 # IMPORTANT NOTE! Not complete main chain atoms for residue S 445 # IMPORTANT NOTE! Not complete main chain atoms for residue K 446 # IMPORTANT NOTE! Not complete main chain atoms for residue S 447 # IMPORTANT NOTE! Not complete main chain atoms for residue S 448 # IMPORTANT NOTE! Not complete main chain atoms for residue P 449 # IMPORTANT NOTE! Not complete main chain atoms for residue S 450 # IMPORTANT NOTE! Not complete main chain atoms for residue R 451 # IMPORTANT NOTE! Not complete main chain atoms for residue V 452 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0185 # Total number of residues in target: 457 # Total number of residues in model: 413 # Total number of atoms in model: 413 # Number of atoms with 1.0 occupancy: 413 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 413 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0185 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1EEH_A ATOM 6 CA MET 1 20.292 23.150 15.674 1.00 1.00 ATOM 7 CA LYS 2 21.627 20.135 13.818 1.00 1.00 ATOM 8 CA ILE 3 22.064 17.724 16.768 1.00 1.00 ATOM 9 CA HIS 4 23.846 14.359 16.427 1.00 1.00 ATOM 10 CA PHE 5 23.857 11.762 19.200 1.00 1.00 ATOM 11 CA VAL 6 26.517 9.025 19.352 1.00 1.00 ATOM 12 CA GLY 7 25.425 5.934 21.243 1.00 1.00 ATOM 13 CA ILE 8 22.030 4.232 21.303 1.00 1.00 ATOM 14 CA GLY 9 22.179 2.716 24.767 1.00 1.00 ATOM 15 CA GLY 10 20.374 3.970 27.868 1.00 1.00 ATOM 16 CA ILE 11 22.088 7.355 27.699 1.00 1.00 ATOM 17 CA GLY 12 21.578 7.782 24.000 1.00 1.00 ATOM 18 CA MET 13 17.887 7.052 24.241 1.00 1.00 ATOM 19 CA SER 14 17.458 9.500 27.120 1.00 1.00 ATOM 20 CA ALA 15 19.138 12.152 24.992 1.00 1.00 ATOM 21 CA VAL 16 16.939 11.373 21.999 1.00 1.00 ATOM 22 CA ALA 17 13.836 11.793 24.168 1.00 1.00 ATOM 23 CA HIS 19 15.242 14.937 25.788 1.00 1.00 ATOM 24 CA GLU 20 15.622 16.545 22.358 1.00 1.00 ATOM 25 CA PHE 21 12.304 15.296 20.926 1.00 1.00 ATOM 26 CA SER 22 10.526 16.691 23.994 1.00 1.00 ATOM 27 CA ASN 23 11.917 20.092 22.971 1.00 1.00 ATOM 28 CA GLY 24 10.862 19.922 19.344 1.00 1.00 ATOM 29 CA ASN 25 14.299 18.951 18.051 1.00 1.00 ATOM 30 CA ASP 26 14.759 15.818 15.969 1.00 1.00 ATOM 31 CA VAL 27 18.380 14.614 16.314 1.00 1.00 ATOM 32 CA TYR 28 20.240 12.180 14.097 1.00 1.00 ATOM 33 CA GLY 29 21.778 9.240 15.910 1.00 1.00 ATOM 34 CA SER 30 24.585 6.743 15.354 1.00 1.00 ATOM 35 CA ASN 31 26.384 3.912 17.134 1.00 1.00 ATOM 36 CA ILE 32 29.361 1.762 16.067 1.00 1.00 ATOM 37 CA GLU 33 27.434 -1.297 17.251 1.00 1.00 ATOM 38 CA GLU 34 25.245 -2.890 14.531 1.00 1.00 ATOM 39 CA THR 35 22.279 -3.488 16.863 1.00 1.00 ATOM 40 CA GLU 36 22.533 -1.264 19.989 1.00 1.00 ATOM 41 CA ARG 37 19.864 -1.855 22.651 1.00 1.00 ATOM 42 CA THR 38 17.960 1.292 21.780 1.00 1.00 ATOM 43 CA ALA 39 17.810 0.730 18.036 1.00 1.00 ATOM 44 CA TYR 40 14.228 -0.585 18.119 1.00 1.00 ATOM 45 CA LEU 41 13.187 2.113 20.580 1.00 1.00 ATOM 46 CA ARG 42 13.500 4.995 18.102 1.00 1.00 ATOM 47 CA LYS 43 10.568 6.730 16.416 1.00 1.00 ATOM 48 CA LEU 44 10.694 6.210 12.649 1.00 1.00 ATOM 49 CA GLY 45 11.235 9.952 12.128 1.00 1.00 ATOM 50 CA ILE 46 14.732 9.734 13.665 1.00 1.00 ATOM 51 CA PRO 47 17.498 9.158 11.109 1.00 1.00 ATOM 52 CA ILE 48 19.935 6.547 12.349 1.00 1.00 ATOM 53 CA PHE 49 23.248 5.025 11.253 1.00 1.00 ATOM 54 CA VAL 50 24.678 1.966 12.979 1.00 1.00 ATOM 55 CA PRO 51 27.692 -0.310 12.536 1.00 1.00 ATOM 57 CA HIS 52 30.076 6.352 12.784 1.00 1.00 ATOM 58 CA SER 53 28.835 8.589 10.004 1.00 1.00 ATOM 59 CA ALA 54 31.490 11.310 9.656 1.00 1.00 ATOM 60 CA ASP 55 29.535 13.535 7.252 1.00 1.00 ATOM 61 CA ASN 56 26.751 13.715 9.871 1.00 1.00 ATOM 62 CA TRP 57 29.192 14.584 12.622 1.00 1.00 ATOM 63 CA TYR 58 31.041 17.239 10.571 1.00 1.00 ATOM 64 CA ASP 59 27.723 18.835 9.633 1.00 1.00 ATOM 65 CA PRO 60 26.476 19.013 13.251 1.00 1.00 ATOM 66 CA ASP 61 25.967 22.097 15.407 1.00 1.00 ATOM 67 CA LEU 62 26.116 19.964 18.522 1.00 1.00 ATOM 68 CA VAL 63 27.419 16.422 19.087 1.00 1.00 ATOM 69 CA ILE 64 26.161 14.569 22.168 1.00 1.00 ATOM 70 CA LYS 65 28.567 11.753 22.941 1.00 1.00 ATOM 71 CA THR 66 27.589 8.815 25.107 1.00 1.00 ATOM 72 CA PRO 67 30.139 7.902 27.820 1.00 1.00 ATOM 73 CA ALA 68 30.948 4.710 25.938 1.00 1.00 ATOM 74 CA VAL 69 32.814 6.413 23.114 1.00 1.00 ATOM 75 CA ARG 70 36.110 8.220 23.687 1.00 1.00 ATOM 76 CA ASP 71 36.639 11.925 22.899 1.00 1.00 ATOM 77 CA ASP 72 39.978 10.770 21.527 1.00 1.00 ATOM 78 CA ASN 73 38.163 8.814 18.822 1.00 1.00 ATOM 79 CA PRO 74 39.515 10.206 15.484 1.00 1.00 ATOM 80 CA GLU 75 35.992 11.059 14.321 1.00 1.00 ATOM 81 CA ILE 76 35.357 13.074 17.475 1.00 1.00 ATOM 82 CA VAL 77 38.838 14.594 17.473 1.00 1.00 ATOM 83 CA ARG 78 38.209 15.788 13.927 1.00 1.00 ATOM 84 CA ALA 79 34.861 17.375 14.863 1.00 1.00 ATOM 85 CA ARG 80 36.468 19.127 17.841 1.00 1.00 ATOM 86 CA MET 81 39.308 20.587 15.741 1.00 1.00 ATOM 87 CA GLU 82 36.673 21.966 13.375 1.00 1.00 ATOM 88 CA ARG 83 35.113 23.686 16.405 1.00 1.00 ATOM 89 CA VAL 84 31.953 21.580 16.752 1.00 1.00 ATOM 90 CA PRO 85 30.646 21.590 20.314 1.00 1.00 ATOM 91 CA ILE 86 30.664 18.171 21.994 1.00 1.00 ATOM 92 CA GLU 87 28.809 17.391 25.216 1.00 1.00 ATOM 93 CA ASN 88 27.440 14.372 27.069 1.00 1.00 ATOM 94 CA ARG 89 24.132 13.724 28.828 1.00 1.00 ATOM 95 CA LEU 90 25.401 15.022 32.201 1.00 1.00 ATOM 96 CA HIS 91 26.273 18.350 30.582 1.00 1.00 ATOM 97 CA TYR 92 22.769 18.620 29.128 1.00 1.00 ATOM 98 CA PHE 93 21.402 17.778 32.545 1.00 1.00 ATOM 99 CA THR 96 23.428 20.417 34.403 1.00 1.00 ATOM 100 CA LEU 97 22.253 23.126 32.032 1.00 1.00 ATOM 101 CA ARG 99 18.653 22.295 32.935 1.00 1.00 ATOM 102 CA GLU 100 18.828 21.325 36.650 1.00 1.00 ATOM 103 CA LYS 101 16.851 23.575 39.013 1.00 1.00 ATOM 104 CA LYS 102 18.032 21.918 42.255 1.00 1.00 ATOM 105 CA GLU 103 21.479 21.479 43.881 1.00 1.00 ATOM 106 CA GLU 104 23.651 18.546 42.792 1.00 1.00 ATOM 107 CA PHE 105 25.812 16.272 44.959 1.00 1.00 ATOM 108 CA ALA 106 28.306 14.550 42.647 1.00 1.00 ATOM 109 CA VAL 107 30.171 11.332 43.368 1.00 1.00 ATOM 110 CA THR 108 32.952 9.546 41.529 1.00 1.00 ATOM 111 CA GLY 109 35.870 7.216 42.212 1.00 1.00 ATOM 112 CA THR 110 36.408 3.462 41.796 1.00 1.00 ATOM 113 CA ASP 111 34.221 0.762 43.390 1.00 1.00 ATOM 114 CA GLY 112 31.828 1.525 46.237 1.00 1.00 ATOM 115 CA LYS 113 30.692 4.629 44.332 1.00 1.00 ATOM 116 CA THR 114 27.137 3.321 44.183 1.00 1.00 ATOM 117 CA THR 115 27.041 2.601 47.885 1.00 1.00 ATOM 118 CA THR 116 28.037 6.158 48.881 1.00 1.00 ATOM 119 CA THR 117 25.646 7.589 46.288 1.00 1.00 ATOM 120 CA ALA 118 22.837 5.428 47.611 1.00 1.00 ATOM 121 CA MET 119 23.520 6.406 51.231 1.00 1.00 ATOM 122 CA VAL 120 23.523 10.136 50.470 1.00 1.00 ATOM 123 CA ALA 121 20.192 9.496 48.790 1.00 1.00 ATOM 124 CA HIS 122 18.830 7.897 51.966 1.00 1.00 ATOM 125 CA VAL 123 20.119 10.729 54.125 1.00 1.00 ATOM 126 CA LEU 124 18.132 13.089 51.875 1.00 1.00 ATOM 127 CA LYS 125 15.053 10.897 52.112 1.00 1.00 ATOM 128 CA HIS 126 15.375 10.970 55.893 1.00 1.00 ATOM 129 CA LEU 127 15.245 14.776 55.917 1.00 1.00 ATOM 130 CA ARG 128 12.153 14.720 53.736 1.00 1.00 ATOM 131 CA LYS 129 13.876 16.022 50.613 1.00 1.00 ATOM 132 CA SER 130 12.384 15.013 47.230 1.00 1.00 ATOM 133 CA PRO 131 15.649 13.548 45.998 1.00 1.00 ATOM 134 CA THR 132 16.560 12.209 42.604 1.00 1.00 ATOM 135 CA VAL 133 19.312 9.608 42.537 1.00 1.00 ATOM 136 CA PHE 134 20.848 8.741 39.208 1.00 1.00 ATOM 137 CA LEU 135 23.680 8.922 36.740 1.00 1.00 ATOM 138 CA GLY 136 26.187 6.125 36.211 1.00 1.00 ATOM 139 CA GLY 137 24.412 4.296 39.029 1.00 1.00 ATOM 140 CA ILE 138 21.642 3.277 36.628 1.00 1.00 ATOM 141 CA MET 139 18.956 5.824 35.865 1.00 1.00 ATOM 142 CA ASP 140 20.258 8.264 33.235 1.00 1.00 ATOM 143 CA SER 141 20.390 11.741 34.790 1.00 1.00 ATOM 144 CA LEU 142 18.111 13.289 32.157 1.00 1.00 ATOM 145 CA GLY 145 15.297 10.943 33.146 1.00 1.00 ATOM 146 CA ASN 146 15.341 12.636 36.588 1.00 1.00 ATOM 147 CA TYR 147 14.592 16.169 35.391 1.00 1.00 ATOM 148 CA GLU 148 11.524 17.306 37.249 1.00 1.00 ATOM 149 CA LYS 149 10.719 20.735 38.666 1.00 1.00 ATOM 150 CA GLY 150 9.496 18.767 41.694 1.00 1.00 ATOM 151 CA ASN 151 12.980 17.441 42.488 1.00 1.00 ATOM 152 CA GLY 152 14.661 19.295 45.390 1.00 1.00 ATOM 153 CA PRO 153 18.073 17.655 45.246 1.00 1.00 ATOM 154 CA VAL 154 19.977 15.456 42.816 1.00 1.00 ATOM 155 CA VAL 155 22.547 12.877 43.873 1.00 1.00 ATOM 156 CA TYR 156 24.618 11.710 40.888 1.00 1.00 ATOM 157 CA GLU 157 27.185 8.950 40.610 1.00 1.00 ATOM 158 CA LEU 158 29.465 10.007 37.746 1.00 1.00 ATOM 159 CA ASP 159 32.082 8.123 35.790 1.00 1.00 ATOM 160 CA GLU 160 35.319 9.617 34.514 1.00 1.00 ATOM 161 CA SER 161 33.764 9.155 31.039 1.00 1.00 ATOM 162 CA GLU 162 30.758 11.375 31.852 1.00 1.00 ATOM 163 CA GLU 163 33.070 13.851 33.525 1.00 1.00 ATOM 164 CA PHE 164 35.235 14.329 30.447 1.00 1.00 ATOM 166 CA PHE 165 30.784 17.849 31.339 1.00 1.00 ATOM 167 CA SER 166 31.648 21.517 31.817 1.00 1.00 ATOM 168 CA GLU 167 28.714 23.149 33.591 1.00 1.00 ATOM 169 CA PHE 168 28.629 21.086 36.775 1.00 1.00 ATOM 170 CA SER 169 28.610 23.236 39.917 1.00 1.00 ATOM 171 CA PRO 170 28.073 20.642 42.653 1.00 1.00 ATOM 172 CA ASN 171 26.983 21.724 46.124 1.00 1.00 ATOM 173 CA TYR 172 29.320 18.898 47.205 1.00 1.00 ATOM 174 CA LEU 173 31.612 16.662 45.159 1.00 1.00 ATOM 175 CA ILE 174 34.033 13.836 45.822 1.00 1.00 ATOM 176 CA ILE 175 36.531 11.519 44.152 1.00 1.00 ATOM 177 CA THR 176 36.394 8.686 46.684 1.00 1.00 ATOM 178 CA ASN 177 39.685 7.341 45.341 1.00 1.00 ATOM 179 CA ALA 178 41.815 7.091 42.247 1.00 1.00 ATOM 180 CA ARG 179 42.485 3.493 41.252 1.00 1.00 ATOM 181 CA GLY 180 43.236 2.774 37.600 1.00 1.00 ATOM 182 CA ASP 181 40.458 1.091 35.602 1.00 1.00 ATOM 183 CA HIS 182 39.250 1.335 31.987 1.00 1.00 ATOM 184 CA LEU 183 42.872 2.223 31.149 1.00 1.00 ATOM 185 CA GLU 184 42.220 1.474 27.501 1.00 1.00 ATOM 186 CA ASN 185 40.315 4.801 27.590 1.00 1.00 ATOM 187 CA TYR 186 43.305 6.562 29.202 1.00 1.00 ATOM 188 CA GLY 187 46.375 5.414 27.172 1.00 1.00 ATOM 189 CA ASN 188 48.555 8.315 28.334 1.00 1.00 ATOM 190 CA SER 189 48.693 7.283 31.975 1.00 1.00 ATOM 191 CA LEU 190 47.471 7.847 35.516 1.00 1.00 ATOM 192 CA THR 191 47.768 11.636 35.133 1.00 1.00 ATOM 193 CA ARG 192 45.330 11.566 32.203 1.00 1.00 ATOM 194 CA TYR 193 43.098 9.287 34.208 1.00 1.00 ATOM 195 CA ARG 194 43.343 11.473 37.286 1.00 1.00 ATOM 196 CA SER 195 42.586 14.577 35.234 1.00 1.00 ATOM 197 CA ALA 196 39.204 13.138 34.186 1.00 1.00 ATOM 198 CA PHE 197 38.023 12.542 37.754 1.00 1.00 ATOM 199 CA GLU 198 39.351 15.909 38.950 1.00 1.00 ATOM 200 CA LYS 199 36.877 17.659 36.660 1.00 1.00 ATOM 201 CA ILE 200 34.223 16.841 39.285 1.00 1.00 ATOM 202 CA SER 201 35.677 19.531 41.599 1.00 1.00 ATOM 203 CA ARG 202 35.450 22.293 38.984 1.00 1.00 ATOM 204 CA ASN 203 33.164 24.920 40.545 1.00 1.00 ATOM 205 CA THR 204 32.119 22.614 43.372 1.00 1.00 ATOM 206 CA ASP 205 31.168 24.514 46.559 1.00 1.00 ATOM 207 CA LEU 206 32.764 21.878 48.772 1.00 1.00 ATOM 208 CA VAL 207 35.188 19.150 47.764 1.00 1.00 ATOM 209 CA VAL 208 35.075 15.986 49.869 1.00 1.00 ATOM 210 CA THR 209 38.531 14.377 49.586 1.00 1.00 ATOM 211 CA PHE 210 40.076 11.069 50.699 1.00 1.00 ATOM 212 CA ALA 211 42.732 11.845 53.325 1.00 1.00 ATOM 213 CA GLU 212 44.270 8.427 52.629 1.00 1.00 ATOM 214 CA ASP 213 44.514 8.963 48.826 1.00 1.00 ATOM 215 CA GLU 214 46.533 12.055 47.862 1.00 1.00 ATOM 216 CA LEU 215 45.425 11.793 44.233 1.00 1.00 ATOM 217 CA THR 216 41.846 12.697 45.212 1.00 1.00 ATOM 218 CA SER 217 43.084 16.176 46.185 1.00 1.00 ATOM 219 CA HIS 218 42.496 18.725 43.478 1.00 1.00 ATOM 220 CA LEU 219 45.700 19.737 41.690 1.00 1.00 ATOM 221 CA GLY 220 47.344 22.701 43.417 1.00 1.00 ATOM 222 CA ASP 221 46.927 21.172 46.859 1.00 1.00 ATOM 223 CA VAL 222 43.830 21.324 49.055 1.00 1.00 ATOM 224 CA GLY 225 41.951 24.622 49.369 1.00 1.00 ATOM 225 CA VAL 226 39.312 26.097 51.665 1.00 1.00 ATOM 226 CA LYS 227 36.616 24.061 49.905 1.00 1.00 ATOM 227 CA LYS 228 38.145 20.724 50.821 1.00 1.00 ATOM 228 CA GLY 229 36.888 18.597 53.691 1.00 1.00 ATOM 229 CA THR 230 38.362 15.140 54.146 1.00 1.00 ATOM 230 CA TYR 231 37.472 11.662 55.323 1.00 1.00 ATOM 231 CA THR 232 39.837 8.877 56.297 1.00 1.00 ATOM 232 CA LEU 233 40.423 5.953 58.636 1.00 1.00 ATOM 233 CA GLU 234 42.558 7.600 61.353 1.00 1.00 ATOM 234 CA MET 235 43.161 10.999 59.754 1.00 1.00 ATOM 236 CA ARG 236 37.907 15.865 59.087 1.00 1.00 ATOM 237 CA SER 237 35.774 12.720 59.184 1.00 1.00 ATOM 238 CA ALA 238 37.615 9.674 60.566 1.00 1.00 ATOM 239 CA SER 239 37.566 6.741 62.983 1.00 1.00 ATOM 248 CA MET 246 33.014 8.230 63.860 1.00 1.00 ATOM 249 CA VAL 247 35.011 11.448 64.390 1.00 1.00 ATOM 250 CA GLU 248 33.878 14.645 62.683 1.00 1.00 ATOM 251 CA LYS 249 35.777 17.899 62.917 1.00 1.00 ATOM 252 CA ASN 250 37.392 16.630 66.116 1.00 1.00 ATOM 253 CA GLY 251 34.151 15.640 67.827 1.00 1.00 ATOM 254 CA LYS 252 32.780 12.118 68.236 1.00 1.00 ATOM 255 CA ARG 253 29.316 11.882 66.687 1.00 1.00 ATOM 256 CA TYR 254 28.357 8.214 66.578 1.00 1.00 ATOM 257 CA LEU 255 29.420 4.873 68.028 1.00 1.00 ATOM 258 CA GLU 256 29.669 2.457 65.099 1.00 1.00 ATOM 259 CA LEU 257 27.585 0.006 67.164 1.00 1.00 ATOM 260 CA LYS 258 24.450 1.937 66.211 1.00 1.00 ATOM 261 CA LEU 259 24.812 1.271 62.467 1.00 1.00 ATOM 262 CA LYS 260 24.054 -2.117 60.901 1.00 1.00 ATOM 263 CA VAL 261 27.160 -2.389 58.738 1.00 1.00 ATOM 264 CA PRO 262 30.679 -2.970 60.062 1.00 1.00 ATOM 265 CA GLY 263 34.230 -3.113 58.754 1.00 1.00 ATOM 266 CA PHE 264 36.580 -0.301 57.763 1.00 1.00 ATOM 267 CA HIS 265 35.197 0.007 54.217 1.00 1.00 ATOM 268 CA ASN 266 31.592 0.365 55.416 1.00 1.00 ATOM 269 CA VAL 267 32.787 3.001 57.902 1.00 1.00 ATOM 270 CA LEU 268 34.695 5.210 55.465 1.00 1.00 ATOM 271 CA ASN 269 31.653 4.912 53.189 1.00 1.00 ATOM 272 CA ALA 270 29.498 6.275 55.998 1.00 1.00 ATOM 273 CA LEU 271 32.039 9.042 56.674 1.00 1.00 ATOM 274 CA ALA 272 32.363 10.140 53.045 1.00 1.00 ATOM 275 CA VAL 273 28.554 10.043 52.823 1.00 1.00 ATOM 276 CA ILE 274 28.138 12.178 55.937 1.00 1.00 ATOM 277 CA ALA 275 30.718 14.716 54.755 1.00 1.00 ATOM 278 CA LEU 276 28.696 15.095 51.508 1.00 1.00 ATOM 279 CA PHE 277 25.305 15.302 53.247 1.00 1.00 ATOM 280 CA ASP 278 26.672 17.864 55.725 1.00 1.00 ATOM 281 CA SER 279 27.999 19.912 52.808 1.00 1.00 ATOM 282 CA LEU 280 24.707 19.624 50.943 1.00 1.00 ATOM 283 CA GLY 281 22.949 21.185 53.911 1.00 1.00 ATOM 284 CA TYR 282 21.089 18.102 55.140 1.00 1.00 ATOM 285 CA ASP 283 20.373 18.036 58.918 1.00 1.00 ATOM 286 CA LEU 284 22.919 15.862 60.708 1.00 1.00 ATOM 287 CA ALA 285 20.049 14.447 62.779 1.00 1.00 ATOM 288 CA PRO 286 18.373 12.692 59.884 1.00 1.00 ATOM 289 CA VAL 287 21.719 11.835 58.226 1.00 1.00 ATOM 290 CA LEU 288 22.850 9.985 61.339 1.00 1.00 ATOM 291 CA GLU 289 19.489 8.203 61.544 1.00 1.00 ATOM 292 CA ALA 290 20.001 7.072 57.947 1.00 1.00 ATOM 293 CA LEU 291 23.455 5.831 58.905 1.00 1.00 ATOM 294 CA GLU 292 21.944 3.704 61.667 1.00 1.00 ATOM 295 CA GLU 293 19.414 1.985 59.403 1.00 1.00 ATOM 296 CA PHE 294 21.400 1.699 56.169 1.00 1.00 ATOM 297 CA ARG 295 21.817 -1.944 55.177 1.00 1.00 ATOM 298 CA GLY 296 23.658 -1.423 51.900 1.00 1.00 ATOM 299 CA VAL 297 22.992 -1.156 48.171 1.00 1.00 ATOM 300 CA HIS 298 19.538 -2.631 47.548 1.00 1.00 ATOM 301 CA ARG 299 18.979 -5.304 44.918 1.00 1.00 ATOM 302 CA ARG 300 17.797 -3.945 41.534 1.00 1.00 ATOM 303 CA PHE 301 14.460 -5.760 42.006 1.00 1.00 ATOM 304 CA SER 302 12.702 -7.677 44.763 1.00 1.00 ATOM 305 CA ILE 303 11.611 -11.175 43.661 1.00 1.00 ATOM 306 CA ALA 304 8.446 -11.685 45.726 1.00 1.00 ATOM 307 CA PHE 305 7.641 -15.168 44.437 1.00 1.00 ATOM 308 CA HIS 306 8.971 -17.800 42.095 1.00 1.00 ATOM 309 CA GLU 309 6.439 -20.585 41.721 1.00 1.00 ATOM 310 CA THR 310 5.169 -22.785 38.881 1.00 1.00 ATOM 311 CA ASN 311 8.000 -21.426 36.741 1.00 1.00 ATOM 312 CA ILE 312 6.739 -17.848 37.063 1.00 1.00 ATOM 313 CA TYR 313 8.660 -15.001 38.654 1.00 1.00 ATOM 314 CA VAL 314 6.713 -12.180 40.301 1.00 1.00 ATOM 315 CA ILE 315 8.984 -9.148 40.325 1.00 1.00 ATOM 316 CA ASP 316 8.438 -6.086 42.459 1.00 1.00 ATOM 317 CA ASP 317 9.826 -2.814 41.045 1.00 1.00 ATOM 318 CA TYR 318 7.207 -0.544 42.592 1.00 1.00 ATOM 319 CA ALA 319 9.991 2.024 43.066 1.00 1.00 ATOM 320 CA HIS 320 9.887 2.724 39.322 1.00 1.00 ATOM 322 CA THR 321 8.513 7.365 36.412 1.00 1.00 ATOM 323 CA PRO 322 8.822 6.390 32.781 1.00 1.00 ATOM 324 CA ASP 323 12.612 6.407 32.740 1.00 1.00 ATOM 325 CA GLU 324 12.770 3.837 35.548 1.00 1.00 ATOM 326 CA ILE 325 10.327 1.471 33.867 1.00 1.00 ATOM 327 CA ARG 326 12.321 1.844 30.666 1.00 1.00 ATOM 328 CA ASN 327 15.473 1.007 32.650 1.00 1.00 ATOM 329 CA LEU 328 13.807 -2.066 34.147 1.00 1.00 ATOM 330 CA LEU 329 12.814 -3.304 30.697 1.00 1.00 ATOM 331 CA GLN 330 16.293 -2.830 29.225 1.00 1.00 ATOM 332 CA THR 331 18.034 -6.190 28.855 1.00 1.00 ATOM 333 CA ALA 332 15.289 -7.854 30.885 1.00 1.00 ATOM 334 CA LYS 333 15.458 -11.626 30.480 1.00 1.00 ATOM 335 CA PHE 336 11.943 -13.081 29.984 1.00 1.00 ATOM 336 CA GLU 337 11.636 -16.732 28.971 1.00 1.00 ATOM 337 CA ASN 338 7.927 -16.557 28.162 1.00 1.00 ATOM 338 CA LYS 340 5.385 -13.699 28.288 1.00 1.00 ATOM 339 CA ILE 341 5.889 -10.530 30.286 1.00 1.00 ATOM 340 CA VAL 342 2.800 -9.466 32.192 1.00 1.00 ATOM 341 CA VAL 343 3.588 -5.795 32.859 1.00 1.00 ATOM 342 CA ILE 344 1.645 -3.845 35.458 1.00 1.00 ATOM 343 CA PHE 345 1.362 -0.100 34.749 1.00 1.00 ATOM 344 CA GLN 346 -0.573 2.552 36.588 1.00 1.00 ATOM 345 CA PRO 347 -1.114 5.245 39.158 1.00 1.00 ATOM 346 CA HIS 348 -0.444 8.981 38.929 1.00 1.00 ATOM 347 CA ARG 349 2.057 9.471 36.138 1.00 1.00 ATOM 348 CA TYR 350 3.393 12.272 33.930 1.00 1.00 ATOM 349 CA SER 351 1.270 11.928 30.794 1.00 1.00 ATOM 350 CA ARG 352 3.585 14.309 28.908 1.00 1.00 ATOM 351 CA LEU 353 6.256 11.590 29.140 1.00 1.00 ATOM 352 CA GLU 354 4.191 8.535 28.223 1.00 1.00 ATOM 353 CA ARG 355 4.505 8.475 24.439 1.00 1.00 ATOM 354 CA GLU 356 8.096 7.247 24.215 1.00 1.00 ATOM 355 CA ASP 357 7.259 4.303 26.487 1.00 1.00 ATOM 356 CA PHE 360 5.065 2.732 23.788 1.00 1.00 ATOM 357 CA ALA 361 8.239 1.919 21.809 1.00 1.00 ATOM 358 CA LYS 362 9.419 -0.413 24.591 1.00 1.00 ATOM 359 CA ALA 363 6.215 -2.451 24.487 1.00 1.00 ATOM 360 CA LEU 364 6.401 -4.191 21.131 1.00 1.00 ATOM 361 CA GLN 365 6.718 -7.899 20.454 1.00 1.00 ATOM 362 CA LEU 366 4.631 -11.047 20.705 1.00 1.00 ATOM 363 CA ALA 367 5.562 -11.742 24.313 1.00 1.00 ATOM 364 CA ASP 368 4.210 -8.801 26.316 1.00 1.00 ATOM 365 CA GLU 369 0.871 -8.150 28.039 1.00 1.00 ATOM 366 CA VAL 370 -0.077 -4.875 29.746 1.00 1.00 ATOM 367 CA VAL 371 -2.385 -4.596 32.757 1.00 1.00 ATOM 368 CA VAL 372 -3.147 -0.932 33.354 1.00 1.00 ATOM 369 CA THR 373 -4.777 0.585 36.379 1.00 1.00 ATOM 370 CA GLU 374 -5.175 3.684 38.485 1.00 1.00 ATOM 371 CA ILE 386 -5.695 7.285 37.460 1.00 1.00 ATOM 372 CA SER 387 -3.793 7.128 34.199 1.00 1.00 ATOM 373 CA GLY 388 -4.605 3.508 33.362 1.00 1.00 ATOM 374 CA ILE 391 -6.578 4.447 30.253 1.00 1.00 ATOM 375 CA TRP 392 -3.702 6.433 28.721 1.00 1.00 ATOM 376 CA ASP 393 -1.177 3.734 29.637 1.00 1.00 ATOM 377 CA SER 394 -3.352 0.961 28.149 1.00 1.00 ATOM 378 CA LEU 395 -3.684 3.171 25.069 1.00 1.00 ATOM 379 CA LYS 396 0.101 2.845 24.473 1.00 1.00 ATOM 380 CA SER 397 -0.571 -0.517 22.782 1.00 1.00 ATOM 381 CA LEU 398 -4.312 -1.355 23.130 1.00 1.00 ATOM 382 CA GLY 399 -4.102 -4.720 21.395 1.00 1.00 ATOM 384 CA VAL 405 -3.580 -4.278 27.191 1.00 1.00 ATOM 385 CA GLU 406 -6.257 -4.777 29.824 1.00 1.00 ATOM 386 CA LYS 407 -7.544 -1.895 31.935 1.00 1.00 ATOM 387 CA LEU 408 -8.828 -2.111 35.510 1.00 1.00 ATOM 388 CA PRO 409 -9.398 0.442 38.276 1.00 1.00 ATOM 389 CA GLU 410 -7.051 -1.095 40.838 1.00 1.00 ATOM 390 CA LEU 411 -3.884 -3.148 40.865 1.00 1.00 ATOM 391 CA GLU 412 -5.619 -5.976 42.687 1.00 1.00 ATOM 392 CA LYS 413 -8.191 -6.272 39.920 1.00 1.00 ATOM 393 CA VAL 414 -5.369 -6.190 37.384 1.00 1.00 ATOM 394 CA ILE 415 -3.563 -9.022 39.157 1.00 1.00 ATOM 395 CA SER 416 -6.624 -11.263 39.560 1.00 1.00 ATOM 396 CA VAL 417 -7.042 -10.668 35.830 1.00 1.00 ATOM 402 CA SER 418 2.255 -20.007 32.349 1.00 1.00 ATOM 403 CA GLU 419 5.719 -21.434 33.223 1.00 1.00 ATOM 404 CA ASN 420 8.405 -19.089 31.988 1.00 1.00 ATOM 405 CA THR 421 6.378 -15.903 32.262 1.00 1.00 ATOM 406 CA VAL 422 7.262 -12.976 34.443 1.00 1.00 ATOM 407 CA PHE 423 4.828 -10.736 36.289 1.00 1.00 ATOM 408 CA LEU 424 6.476 -7.339 36.707 1.00 1.00 ATOM 409 CA PHE 425 5.250 -4.404 38.773 1.00 1.00 ATOM 410 CA VAL 426 7.181 -1.408 37.310 1.00 1.00 ATOM 411 CA GLY 427 4.197 1.079 37.158 1.00 1.00 ATOM 412 CA ALA 428 5.963 4.090 35.596 1.00 1.00 ATOM 413 CA GLY 429 3.791 6.247 37.861 1.00 1.00 ATOM 414 CA ASP 430 3.626 7.485 41.426 1.00 1.00 ATOM 415 CA ILE 431 1.217 5.578 43.680 1.00 1.00 ATOM 416 CA ILE 432 -0.351 8.494 45.534 1.00 1.00 ATOM 417 CA TYR 433 -3.732 8.118 43.857 1.00 1.00 ATOM 418 CA SER 434 -4.492 4.783 45.569 1.00 1.00 ATOM 419 CA SER 435 -1.666 4.052 48.012 1.00 1.00 ATOM 420 CA ARG 436 0.238 5.783 50.802 1.00 1.00 ATOM 421 CA ARG 437 3.572 5.329 48.983 1.00 1.00 ATOM 422 CA PHE 438 5.235 3.051 46.422 1.00 1.00 ATOM 423 CA VAL 439 6.586 0.856 49.227 1.00 1.00 ATOM 424 CA GLU 440 3.016 0.096 50.323 1.00 1.00 ATOM 425 CA ARG 441 2.036 -0.505 46.693 1.00 1.00 ATOM 426 CA TYR 442 4.903 -2.988 46.514 1.00 1.00 ATOM 427 CA GLN 443 3.844 -4.788 49.724 1.00 1.00 ATOM 428 CA SER 444 0.316 -5.034 48.341 1.00 1.00 ATOM 429 CA SER 445 1.801 -6.614 45.212 1.00 1.00 ATOM 430 CA LYS 446 3.848 -9.020 47.331 1.00 1.00 ATOM 431 CA SER 447 0.811 -10.171 49.309 1.00 1.00 ATOM 432 CA SER 448 -1.376 -10.592 46.228 1.00 1.00 ATOM 433 CA PRO 449 1.317 -12.506 44.344 1.00 1.00 ATOM 434 CA SER 450 1.586 -15.005 47.218 1.00 1.00 ATOM 435 CA ARG 451 -2.155 -15.645 47.209 1.00 1.00 ATOM 436 CA VAL 452 -2.391 -15.823 43.421 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 10:54:07 2002 Date: Wed, 21 Aug 2002 10:54:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0185 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 Wed Aug 21 10:25:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_412615_29774 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0185TS007_4 Current information on models submitted in prediction T0185TS007 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_4 PIN_412615_29774 6269-7633-6117 08/21/02 10:25:47 casp5@bialko.llnl.gov T0185TS007_2 PIN_389175_29767 6269-7633-6117 08/21/02 10:23:13 casp5@bialko.llnl.gov T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 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 T0185 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 casp5@bialko.llnl.gov T0185TS007_2 PIN_389175_29767 6269-7633-6117 08/21/02 10:23:13 casp5@bialko.llnl.gov T0185TS007_4 PIN_412615_29774 6269-7633-6117 08/21/02 10:25:47 casp5@bialko.llnl.gov T0185SS007_1 PIN_675024_24608 6269-7633-6117 08/15/02 06:54:20 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 T0185 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 2UAG_A # Loading PARENT structure: 2uag (chain: A) # Number of residues in PARENT structure: 428 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue G 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue I 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue S 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue T 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue A 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue I 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue V 50 # IMPORTANT NOTE! Not complete main chain atoms for residue P 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue N 56 # IMPORTANT NOTE! Not complete main chain atoms for residue W 57 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue L 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue P 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue N 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue M 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue I 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue F 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue G 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 147 # IMPORTANT NOTE! Not complete main chain atoms for residue E 148 # IMPORTANT NOTE! Not complete main chain atoms for residue K 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue N 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue V 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue P 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue N 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue N 188 # IMPORTANT NOTE! Not complete main chain atoms for residue S 189 # IMPORTANT NOTE! Not complete main chain atoms for residue L 190 # IMPORTANT NOTE! Not complete main chain atoms for residue T 191 # IMPORTANT NOTE! Not complete main chain atoms for residue R 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue S 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue S 201 # IMPORTANT NOTE! Not complete main chain atoms for residue R 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue T 204 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue T 216 # IMPORTANT NOTE! Not complete main chain atoms for residue S 217 # IMPORTANT NOTE! Not complete main chain atoms for residue H 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue E 234 # IMPORTANT NOTE! Not complete main chain atoms for residue M 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue R 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue M 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue N 250 # IMPORTANT NOTE! Not complete main chain atoms for residue G 251 # IMPORTANT NOTE! Not complete main chain atoms for residue K 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue E 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue L 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue P 262 # IMPORTANT NOTE! Not complete main chain atoms for residue G 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue H 265 # IMPORTANT NOTE! Not complete main chain atoms for residue N 266 # IMPORTANT NOTE! Not complete main chain atoms for residue V 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue N 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue I 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue F 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue S 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue G 281 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 282 # IMPORTANT NOTE! Not complete main chain atoms for residue D 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue A 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue V 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue E 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue G 296 # IMPORTANT NOTE! Not complete main chain atoms for residue V 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue R 300 # IMPORTANT NOTE! Not complete main chain atoms for residue F 301 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue I 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue H 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue N 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 313 # IMPORTANT NOTE! Not complete main chain atoms for residue V 314 # IMPORTANT NOTE! Not complete main chain atoms for residue I 315 # IMPORTANT NOTE! Not complete main chain atoms for residue D 316 # IMPORTANT NOTE! Not complete main chain atoms for residue D 317 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 318 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # IMPORTANT NOTE! Not complete main chain atoms for residue H 320 # IMPORTANT NOTE! Not complete main chain atoms for residue T 321 # IMPORTANT NOTE! Not complete main chain atoms for residue P 322 # IMPORTANT NOTE! Not complete main chain atoms for residue D 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue I 325 # IMPORTANT NOTE! Not complete main chain atoms for residue R 326 # IMPORTANT NOTE! Not complete main chain atoms for residue N 327 # IMPORTANT NOTE! Not complete main chain atoms for residue L 328 # IMPORTANT NOTE! Not complete main chain atoms for residue L 329 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 330 # IMPORTANT NOTE! Not complete main chain atoms for residue T 331 # IMPORTANT NOTE! Not complete main chain atoms for residue A 332 # IMPORTANT NOTE! Not complete main chain atoms for residue K 333 # IMPORTANT NOTE! Not complete main chain atoms for residue F 336 # IMPORTANT NOTE! Not complete main chain atoms for residue E 337 # IMPORTANT NOTE! Not complete main chain atoms for residue N 338 # IMPORTANT NOTE! Not complete main chain atoms for residue K 340 # IMPORTANT NOTE! Not complete main chain atoms for residue I 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue V 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue F 345 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 346 # IMPORTANT NOTE! Not complete main chain atoms for residue P 347 # IMPORTANT NOTE! Not complete main chain atoms for residue H 348 # IMPORTANT NOTE! Not complete main chain atoms for residue R 349 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 350 # IMPORTANT NOTE! Not complete main chain atoms for residue S 351 # IMPORTANT NOTE! Not complete main chain atoms for residue R 352 # IMPORTANT NOTE! Not complete main chain atoms for residue L 353 # IMPORTANT NOTE! Not complete main chain atoms for residue E 354 # IMPORTANT NOTE! Not complete main chain atoms for residue R 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue D 357 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue A 361 # IMPORTANT NOTE! Not complete main chain atoms for residue K 362 # IMPORTANT NOTE! Not complete main chain atoms for residue A 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 365 # IMPORTANT NOTE! Not complete main chain atoms for residue L 366 # IMPORTANT NOTE! Not complete main chain atoms for residue A 367 # IMPORTANT NOTE! Not complete main chain atoms for residue D 368 # IMPORTANT NOTE! Not complete main chain atoms for residue E 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue V 371 # IMPORTANT NOTE! Not complete main chain atoms for residue V 372 # IMPORTANT NOTE! Not complete main chain atoms for residue T 373 # IMPORTANT NOTE! Not complete main chain atoms for residue E 374 # IMPORTANT NOTE! Not complete main chain atoms for residue I 386 # IMPORTANT NOTE! Not complete main chain atoms for residue S 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue I 391 # IMPORTANT NOTE! Not complete main chain atoms for residue W 392 # IMPORTANT NOTE! Not complete main chain atoms for residue D 393 # IMPORTANT NOTE! Not complete main chain atoms for residue S 394 # IMPORTANT NOTE! Not complete main chain atoms for residue L 395 # IMPORTANT NOTE! Not complete main chain atoms for residue K 396 # IMPORTANT NOTE! Not complete main chain atoms for residue S 397 # IMPORTANT NOTE! Not complete main chain atoms for residue L 398 # IMPORTANT NOTE! Not complete main chain atoms for residue G 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue E 406 # IMPORTANT NOTE! Not complete main chain atoms for residue K 407 # IMPORTANT NOTE! Not complete main chain atoms for residue L 408 # IMPORTANT NOTE! Not complete main chain atoms for residue P 409 # IMPORTANT NOTE! Not complete main chain atoms for residue E 410 # IMPORTANT NOTE! Not complete main chain atoms for residue L 411 # IMPORTANT NOTE! Not complete main chain atoms for residue E 412 # IMPORTANT NOTE! Not complete main chain atoms for residue K 413 # IMPORTANT NOTE! Not complete main chain atoms for residue V 414 # IMPORTANT NOTE! Not complete main chain atoms for residue I 415 # IMPORTANT NOTE! Not complete main chain atoms for residue S 416 # IMPORTANT NOTE! Not complete main chain atoms for residue V 417 # IMPORTANT NOTE! Not complete main chain atoms for residue S 418 # IMPORTANT NOTE! Not complete main chain atoms for residue E 419 # IMPORTANT NOTE! Not complete main chain atoms for residue N 420 # IMPORTANT NOTE! Not complete main chain atoms for residue T 421 # IMPORTANT NOTE! Not complete main chain atoms for residue V 422 # IMPORTANT NOTE! Not complete main chain atoms for residue F 423 # IMPORTANT NOTE! Not complete main chain atoms for residue L 424 # IMPORTANT NOTE! Not complete main chain atoms for residue F 425 # IMPORTANT NOTE! Not complete main chain atoms for residue V 426 # IMPORTANT NOTE! Not complete main chain atoms for residue G 427 # IMPORTANT NOTE! Not complete main chain atoms for residue A 428 # IMPORTANT NOTE! Not complete main chain atoms for residue G 429 # IMPORTANT NOTE! Not complete main chain atoms for residue D 430 # IMPORTANT NOTE! Not complete main chain atoms for residue I 431 # IMPORTANT NOTE! Not complete main chain atoms for residue I 432 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 433 # IMPORTANT NOTE! Not complete main chain atoms for residue S 434 # IMPORTANT NOTE! Not complete main chain atoms for residue S 435 # IMPORTANT NOTE! Not complete main chain atoms for residue R 436 # IMPORTANT NOTE! Not complete main chain atoms for residue R 437 # IMPORTANT NOTE! Not complete main chain atoms for residue F 438 # IMPORTANT NOTE! Not complete main chain atoms for residue V 439 # IMPORTANT NOTE! Not complete main chain atoms for residue E 440 # IMPORTANT NOTE! Not complete main chain atoms for residue R 441 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 442 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 443 # IMPORTANT NOTE! Not complete main chain atoms for residue S 444 # IMPORTANT NOTE! Not complete main chain atoms for residue S 445 # IMPORTANT NOTE! Not complete main chain atoms for residue K 446 # IMPORTANT NOTE! Not complete main chain atoms for residue S 447 # IMPORTANT NOTE! Not complete main chain atoms for residue S 448 # IMPORTANT NOTE! Not complete main chain atoms for residue P 449 # IMPORTANT NOTE! Not complete main chain atoms for residue S 450 # IMPORTANT NOTE! Not complete main chain atoms for residue R 451 # IMPORTANT NOTE! Not complete main chain atoms for residue V 452 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0185 # Total number of residues in target: 457 # Total number of residues in model: 410 # Total number of atoms in model: 410 # Number of atoms with 1.0 occupancy: 410 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 410 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0185 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 2UAG_A ATOM 6 CA MET 1 68.489 2.398 26.942 1.00 1.00 ATOM 7 CA LYS 2 67.785 3.330 23.336 1.00 1.00 ATOM 8 CA ILE 3 63.999 2.823 23.180 1.00 1.00 ATOM 9 CA HIS 4 62.069 2.983 19.896 1.00 1.00 ATOM 10 CA PHE 5 58.254 3.029 19.756 1.00 1.00 ATOM 11 CA VAL 6 56.466 1.987 16.563 1.00 1.00 ATOM 12 CA GLY 7 53.023 3.489 16.086 1.00 1.00 ATOM 13 CA ILE 8 51.601 6.925 16.873 1.00 1.00 ATOM 14 CA GLY 9 48.121 5.928 17.963 1.00 1.00 ATOM 15 CA GLY 10 46.592 5.413 21.401 1.00 1.00 ATOM 16 CA ILE 11 49.147 2.767 22.354 1.00 1.00 ATOM 17 CA GLY 12 52.233 4.607 21.067 1.00 1.00 ATOM 18 CA MET 13 51.285 7.807 22.870 1.00 1.00 ATOM 19 CA SER 14 50.671 5.967 26.129 1.00 1.00 ATOM 20 CA ALA 15 54.134 4.358 25.770 1.00 1.00 ATOM 21 CA VAL 16 55.729 7.776 25.124 1.00 1.00 ATOM 22 CA ALA 17 54.189 9.075 28.351 1.00 1.00 ATOM 23 CA HIS 19 55.199 5.908 30.257 1.00 1.00 ATOM 24 CA GLU 20 58.875 6.250 29.337 1.00 1.00 ATOM 25 CA PHE 21 59.029 10.023 29.806 1.00 1.00 ATOM 26 CA SER 22 57.632 9.631 33.338 1.00 1.00 ATOM 27 CA ASN 23 60.593 7.332 34.093 1.00 1.00 ATOM 28 CA GLY 24 63.178 9.757 32.708 1.00 1.00 ATOM 29 CA ASN 25 63.639 7.851 29.419 1.00 1.00 ATOM 30 CA ASP 26 63.172 9.741 26.148 1.00 1.00 ATOM 31 CA VAL 27 62.165 7.247 23.435 1.00 1.00 ATOM 32 CA TYR 28 62.140 7.809 19.674 1.00 1.00 ATOM 33 CA GLY 29 58.906 7.142 17.743 1.00 1.00 ATOM 34 CA SER 30 58.205 6.069 14.162 1.00 1.00 ATOM 35 CA ASN 31 55.063 5.400 12.107 1.00 1.00 ATOM 36 CA ILE 32 54.690 4.202 8.498 1.00 1.00 ATOM 37 CA GLU 33 52.052 6.882 7.842 1.00 1.00 ATOM 38 CA GLU 34 53.101 10.431 7.079 1.00 1.00 ATOM 39 CA THR 35 50.503 11.980 9.438 1.00 1.00 ATOM 40 CA GLU 36 49.500 9.460 12.103 1.00 1.00 ATOM 41 CA ARG 37 46.704 10.347 14.585 1.00 1.00 ATOM 42 CA THR 38 48.915 11.051 17.568 1.00 1.00 ATOM 43 CA ALA 39 51.430 13.216 15.752 1.00 1.00 ATOM 44 CA TYR 40 49.935 16.473 16.994 1.00 1.00 ATOM 45 CA LEU 41 49.838 15.117 20.550 1.00 1.00 ATOM 46 CA ARG 42 53.521 14.105 20.609 1.00 1.00 ATOM 47 CA LYS 43 55.796 16.107 22.981 1.00 1.00 ATOM 48 CA LEU 44 58.194 18.420 21.132 1.00 1.00 ATOM 49 CA GLY 45 61.190 16.802 22.830 1.00 1.00 ATOM 50 CA ILE 46 60.545 13.390 21.287 1.00 1.00 ATOM 51 CA PRO 47 62.358 12.604 18.021 1.00 1.00 ATOM 52 CA ILE 48 59.996 11.185 15.412 1.00 1.00 ATOM 53 CA PHE 49 60.216 9.593 11.974 1.00 1.00 ATOM 54 CA VAL 50 57.134 9.291 9.757 1.00 1.00 ATOM 55 CA PRO 51 56.273 7.890 6.318 1.00 1.00 ATOM 57 CA HIS 52 59.982 2.541 9.355 1.00 1.00 ATOM 58 CA SER 53 63.509 3.774 10.012 1.00 1.00 ATOM 59 CA ALA 54 65.931 0.808 9.987 1.00 1.00 ATOM 60 CA ASP 55 68.785 2.910 11.321 1.00 1.00 ATOM 61 CA ASN 56 66.704 3.574 14.424 1.00 1.00 ATOM 62 CA TRP 57 65.402 0.004 14.698 1.00 1.00 ATOM 63 CA TYR 58 68.807 -1.634 14.349 1.00 1.00 ATOM 64 CA ASP 59 70.302 0.827 16.856 1.00 1.00 ATOM 65 CA PRO 60 67.633 0.097 19.477 1.00 1.00 ATOM 66 CA ASP 61 68.013 -1.662 22.810 1.00 1.00 ATOM 67 CA LEU 62 64.239 -2.092 23.048 1.00 1.00 ATOM 68 CA VAL 63 61.551 -1.863 20.358 1.00 1.00 ATOM 69 CA ILE 64 57.990 -1.274 21.583 1.00 1.00 ATOM 70 CA LYS 65 55.588 -2.286 18.796 1.00 1.00 ATOM 71 CA THR 66 51.972 -1.075 18.686 1.00 1.00 ATOM 72 CA PRO 67 49.519 -3.948 18.024 1.00 1.00 ATOM 73 CA ALA 68 48.624 -2.507 14.610 1.00 1.00 ATOM 74 CA VAL 69 52.012 -3.338 13.089 1.00 1.00 ATOM 75 CA ARG 70 52.936 -6.979 12.298 1.00 1.00 ATOM 76 CA ASP 71 55.961 -8.586 13.943 1.00 1.00 ATOM 77 CA ASP 72 56.453 -10.138 10.519 1.00 1.00 ATOM 78 CA ASN 73 57.123 -6.723 8.999 1.00 1.00 ATOM 79 CA PRO 74 60.537 -7.171 7.280 1.00 1.00 ATOM 80 CA GLU 75 62.095 -4.322 9.304 1.00 1.00 ATOM 81 CA ILE 76 60.922 -5.903 12.540 1.00 1.00 ATOM 82 CA VAL 77 61.972 -9.408 11.570 1.00 1.00 ATOM 83 CA ARG 78 65.460 -8.035 10.768 1.00 1.00 ATOM 84 CA ALA 79 65.656 -6.490 14.258 1.00 1.00 ATOM 85 CA ARG 80 64.366 -9.732 15.852 1.00 1.00 ATOM 86 CA MET 81 66.964 -11.722 13.889 1.00 1.00 ATOM 87 CA GLU 82 69.640 -9.415 15.323 1.00 1.00 ATOM 88 CA ARG 83 68.488 -10.290 18.836 1.00 1.00 ATOM 89 CA VAL 84 66.920 -6.909 19.588 1.00 1.00 ATOM 90 CA PRO 85 64.180 -7.191 22.225 1.00 1.00 ATOM 91 CA ILE 86 60.657 -6.418 20.955 1.00 1.00 ATOM 92 CA GLU 87 57.678 -5.977 23.318 1.00 1.00 ATOM 93 CA ASN 88 54.280 -4.276 23.346 1.00 1.00 ATOM 94 CA ARG 89 52.488 -2.038 25.850 1.00 1.00 ATOM 95 CA LEU 90 50.799 -5.007 27.575 1.00 1.00 ATOM 96 CA HIS 91 54.266 -6.493 28.232 1.00 1.00 ATOM 97 CA TYR 92 55.439 -3.194 29.765 1.00 1.00 ATOM 98 CA PHE 93 52.255 -3.155 31.866 1.00 1.00 ATOM 99 CA THR 96 52.666 -6.702 33.214 1.00 1.00 ATOM 100 CA LEU 97 56.209 -5.916 34.401 1.00 1.00 ATOM 101 CA ARG 99 54.822 -3.078 36.548 1.00 1.00 ATOM 102 CA GLU 100 51.379 -4.217 37.730 1.00 1.00 ATOM 103 CA LYS 101 51.025 -4.803 41.475 1.00 1.00 ATOM 104 CA LYS 102 47.548 -6.366 41.462 1.00 1.00 ATOM 105 CA GLU 103 46.132 -9.600 39.976 1.00 1.00 ATOM 106 CA GLU 104 45.233 -9.495 36.286 1.00 1.00 ATOM 107 CA PHE 105 42.160 -11.098 34.716 1.00 1.00 ATOM 108 CA ALA 106 43.020 -11.550 31.021 1.00 1.00 ATOM 109 CA VAL 107 40.374 -11.992 28.290 1.00 1.00 ATOM 110 CA THR 108 40.799 -12.850 24.610 1.00 1.00 ATOM 111 CA GLY 109 38.767 -14.588 21.888 1.00 1.00 ATOM 112 CA THR 110 37.350 -13.788 18.468 1.00 1.00 ATOM 113 CA ASP 111 34.133 -12.280 19.839 1.00 1.00 ATOM 114 CA GLY 112 32.752 -11.122 23.157 1.00 1.00 ATOM 115 CA LYS 113 35.984 -9.838 24.745 1.00 1.00 ATOM 116 CA THR 114 34.715 -6.296 25.510 1.00 1.00 ATOM 117 CA THR 115 31.399 -7.583 26.842 1.00 1.00 ATOM 118 CA THR 116 33.103 -10.103 29.139 1.00 1.00 ATOM 119 CA THR 117 35.799 -7.583 30.187 1.00 1.00 ATOM 120 CA ALA 118 33.146 -4.992 31.099 1.00 1.00 ATOM 121 CA MET 119 31.064 -7.608 32.971 1.00 1.00 ATOM 122 CA VAL 120 34.000 -8.681 35.143 1.00 1.00 ATOM 123 CA ALA 121 34.716 -4.984 35.765 1.00 1.00 ATOM 124 CA HIS 122 31.105 -4.477 36.915 1.00 1.00 ATOM 125 CA VAL 123 31.291 -7.555 39.158 1.00 1.00 ATOM 126 CA LEU 124 34.413 -6.098 40.819 1.00 1.00 ATOM 127 CA LYS 125 32.712 -2.730 41.284 1.00 1.00 ATOM 128 CA HIS 126 29.666 -4.402 42.825 1.00 1.00 ATOM 129 CA LEU 127 32.090 -5.939 45.344 1.00 1.00 ATOM 130 CA ARG 128 33.542 -2.508 46.118 1.00 1.00 ATOM 131 CA LYS 129 36.905 -3.537 44.671 1.00 1.00 ATOM 132 CA SER 130 39.162 -0.846 43.142 1.00 1.00 ATOM 133 CA PRO 131 39.371 -2.197 39.584 1.00 1.00 ATOM 134 CA THR 132 41.252 -0.976 36.495 1.00 1.00 ATOM 135 CA VAL 133 39.645 -2.030 33.196 1.00 1.00 ATOM 136 CA PHE 134 41.583 -1.523 29.968 1.00 1.00 ATOM 137 CA LEU 135 43.519 -2.947 27.037 1.00 1.00 ATOM 138 CA GLY 136 41.939 -3.543 23.636 1.00 1.00 ATOM 139 CA GLY 137 38.639 -2.134 24.960 1.00 1.00 ATOM 140 CA ILE 138 40.124 1.271 24.131 1.00 1.00 ATOM 141 CA MET 139 41.854 2.456 27.307 1.00 1.00 ATOM 142 CA ASP 140 45.636 1.792 27.041 1.00 1.00 ATOM 143 CA SER 141 46.697 -0.551 29.839 1.00 1.00 ATOM 144 CA LEU 142 49.650 1.622 30.907 1.00 1.00 ATOM 145 CA GLY 145 47.146 4.312 31.844 1.00 1.00 ATOM 146 CA ASN 146 45.549 2.017 34.462 1.00 1.00 ATOM 147 CA TYR 147 48.643 1.641 36.599 1.00 1.00 ATOM 148 CA GLU 148 47.748 2.806 40.087 1.00 1.00 ATOM 149 CA LYS 149 49.027 1.708 43.464 1.00 1.00 ATOM 150 CA GLY 150 45.460 1.803 44.781 1.00 1.00 ATOM 151 CA ASN 151 44.207 -0.589 42.117 1.00 1.00 ATOM 152 CA GLY 152 43.223 -3.946 43.601 1.00 1.00 ATOM 153 CA PRO 153 42.374 -5.826 40.397 1.00 1.00 ATOM 154 CA VAL 154 43.139 -5.333 36.720 1.00 1.00 ATOM 155 CA VAL 155 40.893 -6.661 33.946 1.00 1.00 ATOM 156 CA TYR 156 42.489 -6.581 30.491 1.00 1.00 ATOM 157 CA GLU 157 40.868 -7.151 27.146 1.00 1.00 ATOM 158 CA LEU 158 43.685 -8.598 24.994 1.00 1.00 ATOM 159 CA ASP 159 43.743 -8.941 21.204 1.00 1.00 ATOM 160 CA GLU 160 45.683 -11.688 19.450 1.00 1.00 ATOM 161 CA SER 161 48.011 -8.841 18.291 1.00 1.00 ATOM 162 CA GLU 162 48.727 -7.679 21.844 1.00 1.00 ATOM 163 CA GLU 163 49.306 -11.272 22.930 1.00 1.00 ATOM 164 CA PHE 164 51.964 -11.856 20.238 1.00 1.00 ATOM 166 CA PHE 165 53.554 -10.262 25.497 1.00 1.00 ATOM 167 CA SER 166 55.746 -12.715 27.409 1.00 1.00 ATOM 168 CA GLU 167 55.399 -11.844 31.119 1.00 1.00 ATOM 169 CA PHE 168 51.653 -12.194 31.676 1.00 1.00 ATOM 170 CA SER 169 50.769 -14.381 34.644 1.00 1.00 ATOM 171 CA PRO 170 47.003 -13.978 34.881 1.00 1.00 ATOM 172 CA ASN 171 45.061 -14.998 38.004 1.00 1.00 ATOM 173 CA TYR 172 42.378 -16.084 35.506 1.00 1.00 ATOM 174 CA LEU 173 42.591 -16.079 31.692 1.00 1.00 ATOM 175 CA ILE 174 40.175 -17.057 28.922 1.00 1.00 ATOM 176 CA ILE 175 39.951 -17.579 25.204 1.00 1.00 ATOM 177 CA THR 176 36.215 -17.170 24.700 1.00 1.00 ATOM 178 CA ASN 177 36.106 -18.667 21.178 1.00 1.00 ATOM 179 CA ALA 178 38.229 -18.884 18.009 1.00 1.00 ATOM 180 CA ARG 179 36.668 -18.320 14.589 1.00 1.00 ATOM 181 CA GLY 180 38.293 -16.929 11.464 1.00 1.00 ATOM 182 CA ASP 181 39.422 -13.307 11.873 1.00 1.00 ATOM 183 CA HIS 182 42.463 -11.144 11.170 1.00 1.00 ATOM 184 CA LEU 183 43.597 -13.390 8.335 1.00 1.00 ATOM 185 CA GLU 184 45.383 -10.481 6.684 1.00 1.00 ATOM 186 CA ASN 185 47.791 -10.617 9.682 1.00 1.00 ATOM 187 CA TYR 186 48.101 -14.430 9.889 1.00 1.00 ATOM 188 CA GLY 187 49.512 -15.826 6.614 1.00 1.00 ATOM 189 CA ASN 188 49.782 -19.267 8.242 1.00 1.00 ATOM 190 CA SER 189 46.055 -19.403 8.732 1.00 1.00 ATOM 191 CA LEU 190 43.628 -20.171 11.530 1.00 1.00 ATOM 192 CA THR 191 46.171 -22.174 13.541 1.00 1.00 ATOM 193 CA ARG 192 48.678 -19.302 13.616 1.00 1.00 ATOM 194 CA TYR 193 45.907 -16.963 14.757 1.00 1.00 ATOM 195 CA ARG 194 44.927 -19.507 17.437 1.00 1.00 ATOM 196 CA SER 195 48.558 -19.861 18.552 1.00 1.00 ATOM 197 CA ALA 196 48.712 -16.111 19.285 1.00 1.00 ATOM 199 CA GLU 198 47.006 -19.550 23.314 1.00 1.00 ATOM 200 CA LYS 199 49.789 -17.400 24.760 1.00 1.00 ATOM 201 CA ILE 200 47.216 -16.026 27.254 1.00 1.00 ATOM 202 CA SER 201 47.218 -19.283 29.230 1.00 1.00 ATOM 203 CA ARG 202 51.022 -19.397 29.745 1.00 1.00 ATOM 204 CA ASN 203 51.507 -19.121 33.537 1.00 1.00 ATOM 205 CA THR 204 47.829 -18.409 34.138 1.00 1.00 ATOM 206 CA ASP 205 46.633 -19.628 37.546 1.00 1.00 ATOM 207 CA LEU 206 43.170 -20.607 36.240 1.00 1.00 ATOM 208 CA VAL 207 42.242 -21.164 32.592 1.00 1.00 ATOM 209 CA VAL 208 38.585 -20.629 31.658 1.00 1.00 ATOM 210 CA THR 209 37.896 -22.543 28.446 1.00 1.00 ATOM 211 CA PHE 210 34.851 -22.883 26.161 1.00 1.00 ATOM 212 CA ALA 211 33.492 -26.480 26.428 1.00 1.00 ATOM 213 CA GLU 212 31.850 -26.026 23.028 1.00 1.00 ATOM 214 CA ASP 213 34.991 -24.727 21.256 1.00 1.00 ATOM 215 CA GLU 214 37.980 -27.082 21.238 1.00 1.00 ATOM 216 CA LEU 215 40.292 -24.371 19.853 1.00 1.00 ATOM 217 CA THR 216 40.005 -22.554 23.199 1.00 1.00 ATOM 218 CA SER 217 41.696 -25.475 25.006 1.00 1.00 ATOM 219 CA HIS 218 45.351 -24.911 25.979 1.00 1.00 ATOM 225 CA VAL 226 44.826 -28.865 36.037 1.00 1.00 ATOM 226 CA LYS 227 43.895 -25.216 35.818 1.00 1.00 ATOM 227 CA LYS 228 40.945 -25.560 33.436 1.00 1.00 ATOM 228 CA GLY 229 37.399 -24.560 34.303 1.00 1.00 ATOM 229 CA THR 230 34.893 -24.768 31.435 1.00 1.00 ATOM 230 CA TYR 231 31.777 -22.887 30.421 1.00 1.00 ATOM 231 CA THR 232 29.331 -24.038 27.749 1.00 1.00 ATOM 232 CA LEU 233 25.712 -24.286 26.652 1.00 1.00 ATOM 233 CA GLU 234 24.724 -27.872 27.504 1.00 1.00 ATOM 234 CA MET 235 27.958 -28.915 29.134 1.00 1.00 ATOM 236 CA ARG 236 31.430 -26.475 34.862 1.00 1.00 ATOM 237 CA SER 237 29.450 -23.318 34.128 1.00 1.00 ATOM 238 CA ALA 238 26.511 -23.945 31.791 1.00 1.00 ATOM 239 CA SER 239 22.891 -23.266 30.869 1.00 1.00 ATOM 240 CA ARG 240 19.747 -25.173 31.545 1.00 1.00 ATOM 241 CA ALA 241 16.567 -24.414 29.672 1.00 1.00 ATOM 245 CA ALA 245 13.134 -20.330 31.266 1.00 1.00 ATOM 248 CA MET 246 22.842 -20.182 34.550 1.00 1.00 ATOM 249 CA VAL 247 24.151 -23.178 36.517 1.00 1.00 ATOM 250 CA GLU 248 27.507 -23.597 38.221 1.00 1.00 ATOM 251 CA LYS 249 28.821 -27.042 39.135 1.00 1.00 ATOM 252 CA ASN 250 25.439 -28.478 39.980 1.00 1.00 ATOM 253 CA GLY 251 23.392 -25.534 41.211 1.00 1.00 ATOM 254 CA LYS 252 21.222 -22.772 39.831 1.00 1.00 ATOM 255 CA ARG 253 22.780 -19.342 40.246 1.00 1.00 ATOM 256 CA TYR 254 20.638 -17.068 38.043 1.00 1.00 ATOM 257 CA LEU 255 17.400 -17.048 36.079 1.00 1.00 ATOM 258 CA GLU 256 18.346 -15.088 32.958 1.00 1.00 ATOM 259 CA LEU 257 15.025 -13.221 33.053 1.00 1.00 ATOM 260 CA LYS 258 16.880 -11.038 35.579 1.00 1.00 ATOM 261 CA LEU 259 19.546 -10.118 33.018 1.00 1.00 ATOM 262 CA LYS 260 19.194 -7.104 30.740 1.00 1.00 ATOM 263 CA VAL 261 21.257 -8.913 28.057 1.00 1.00 ATOM 264 CA PRO 262 19.721 -11.596 25.858 1.00 1.00 ATOM 265 CA GLY 263 20.911 -14.116 23.331 1.00 1.00 ATOM 266 CA PHE 264 22.567 -17.418 24.081 1.00 1.00 ATOM 267 CA HIS 265 26.051 -16.067 23.349 1.00 1.00 ATOM 268 CA ASN 266 25.473 -13.366 25.945 1.00 1.00 ATOM 269 CA VAL 267 24.355 -15.987 28.437 1.00 1.00 ATOM 270 CA LEU 268 27.602 -17.849 27.852 1.00 1.00 ATOM 271 CA ASN 269 29.469 -14.510 28.039 1.00 1.00 ATOM 272 CA ALA 270 27.926 -14.139 31.533 1.00 1.00 ATOM 273 CA LEU 271 29.066 -17.655 32.475 1.00 1.00 ATOM 274 CA ALA 272 32.626 -16.902 31.338 1.00 1.00 ATOM 275 CA VAL 273 32.604 -13.608 33.262 1.00 1.00 ATOM 276 CA ILE 274 31.335 -15.396 36.395 1.00 1.00 ATOM 277 CA ALA 275 34.015 -18.089 36.085 1.00 1.00 ATOM 278 CA LEU 276 36.733 -15.417 35.810 1.00 1.00 ATOM 279 CA PHE 277 35.311 -13.401 38.724 1.00 1.00 ATOM 280 CA ASP 278 35.032 -16.532 40.906 1.00 1.00 ATOM 281 CA SER 279 38.666 -17.403 40.085 1.00 1.00 ATOM 282 CA LEU 280 39.769 -13.849 40.908 1.00 1.00 ATOM 283 CA GLY 281 38.128 -14.297 44.311 1.00 1.00 ATOM 284 CA TYR 282 35.195 -11.884 43.885 1.00 1.00 ATOM 285 CA ASP 283 32.073 -12.676 45.985 1.00 1.00 ATOM 286 CA LEU 284 29.471 -14.713 44.111 1.00 1.00 ATOM 287 CA ALA 285 26.490 -12.703 45.321 1.00 1.00 ATOM 288 CA PRO 286 27.699 -9.291 44.111 1.00 1.00 ATOM 289 CA VAL 287 28.920 -10.803 40.834 1.00 1.00 ATOM 290 CA LEU 288 25.392 -12.139 40.183 1.00 1.00 ATOM 291 CA GLU 289 23.967 -8.723 41.027 1.00 1.00 ATOM 292 CA ALA 290 26.228 -7.122 38.402 1.00 1.00 ATOM 293 CA LEU 291 24.942 -9.563 35.775 1.00 1.00 ATOM 294 CA GLU 292 21.455 -8.209 36.330 1.00 1.00 ATOM 295 CA GLU 293 22.387 -4.508 36.203 1.00 1.00 ATOM 296 CA PHE 294 24.601 -4.554 33.096 1.00 1.00 ATOM 297 CA ARG 295 22.704 -3.262 30.052 1.00 1.00 ATOM 298 CA GLY 296 25.197 -3.952 27.246 1.00 1.00 ATOM 299 CA VAL 297 27.885 -1.914 25.513 1.00 1.00 ATOM 300 CA HIS 298 26.951 0.624 22.827 1.00 1.00 ATOM 301 CA ARG 299 27.387 -0.707 19.280 1.00 1.00 ATOM 302 CA ARG 300 27.081 -4.350 20.372 1.00 1.00 ATOM 303 CA PHE 301 23.679 -5.330 18.948 1.00 1.00 ATOM 304 CA SER 302 22.249 -2.145 20.389 1.00 1.00 ATOM 305 CA ILE 303 18.749 -0.901 19.565 1.00 1.00 ATOM 306 CA ALA 304 19.270 2.761 18.797 1.00 1.00 ATOM 307 CA PHE 305 15.810 3.642 17.441 1.00 1.00 ATOM 308 CA HIS 306 12.337 2.107 17.468 1.00 1.00 ATOM 309 CA GLU 309 10.073 4.382 15.517 1.00 1.00 ATOM 310 CA THR 310 7.086 3.909 13.219 1.00 1.00 ATOM 311 CA ASN 311 7.231 0.144 13.452 1.00 1.00 ATOM 312 CA ILE 312 10.937 -0.146 12.612 1.00 1.00 ATOM 313 CA TYR 313 13.868 -1.115 14.855 1.00 1.00 ATOM 314 CA VAL 314 17.281 0.271 13.931 1.00 1.00 ATOM 315 CA ILE 315 20.024 -1.876 15.428 1.00 1.00 ATOM 316 CA ASP 316 23.626 -0.717 15.815 1.00 1.00 ATOM 317 CA ASP 317 25.871 -3.802 15.747 1.00 1.00 ATOM 318 CA TYR 318 28.851 -1.841 14.401 1.00 1.00 ATOM 319 CA ALA 319 31.178 -3.869 16.659 1.00 1.00 ATOM 320 CA HIS 320 30.450 -7.009 14.613 1.00 1.00 ATOM 322 CA THR 321 34.009 -10.617 11.687 1.00 1.00 ATOM 323 CA PRO 322 31.809 -13.383 10.273 1.00 1.00 ATOM 324 CA ASP 323 31.279 -14.973 13.698 1.00 1.00 ATOM 325 CA GLU 324 29.661 -11.888 15.255 1.00 1.00 ATOM 326 CA ILE 325 27.408 -11.239 12.252 1.00 1.00 ATOM 327 CA ARG 326 26.367 -14.910 12.298 1.00 1.00 ATOM 328 CA ASN 327 25.450 -14.421 15.969 1.00 1.00 ATOM 329 CA LEU 328 23.266 -11.420 15.040 1.00 1.00 ATOM 330 CA LEU 329 21.483 -13.309 12.220 1.00 1.00 ATOM 331 CA GLN 330 21.095 -16.813 13.593 1.00 1.00 ATOM 332 CA THR 331 17.538 -17.144 14.834 1.00 1.00 ATOM 333 CA ALA 332 16.850 -13.428 14.279 1.00 1.00 ATOM 334 CA LYS 333 13.133 -12.574 14.245 1.00 1.00 ATOM 335 CA PHE 336 12.028 -9.841 11.855 1.00 1.00 ATOM 336 CA GLU 337 8.359 -9.270 11.095 1.00 1.00 ATOM 337 CA ASN 338 8.946 -7.557 7.745 1.00 1.00 ATOM 338 CA LYS 340 12.149 -7.080 5.763 1.00 1.00 ATOM 339 CA ILE 341 15.679 -7.132 7.123 1.00 1.00 ATOM 340 CA VAL 342 17.767 -4.338 5.622 1.00 1.00 ATOM 341 CA VAL 343 21.287 -5.541 6.413 1.00 1.00 ATOM 342 CA ILE 344 24.346 -3.304 6.116 1.00 1.00 ATOM 343 CA PHE 345 27.671 -5.026 5.456 1.00 1.00 ATOM 344 CA GLN 346 31.112 -3.769 4.518 1.00 1.00 ATOM 345 CA PRO 347 34.392 -2.161 5.438 1.00 1.00 ATOM 346 CA HIS 348 37.752 -3.902 5.764 1.00 1.00 ATOM 347 CA ARG 349 37.080 -7.636 5.619 1.00 1.00 ATOM 348 CA TYR 350 40.609 -8.634 6.720 1.00 1.00 ATOM 349 CA SER 351 40.737 -11.411 4.073 1.00 1.00 ATOM 350 CA ARG 352 37.724 -13.214 5.576 1.00 1.00 ATOM 351 CA LEU 353 35.733 -15.910 3.811 1.00 1.00 ATOM 352 CA GLU 354 32.204 -14.464 4.047 1.00 1.00 ATOM 353 CA ARG 355 30.401 -17.467 2.604 1.00 1.00 ATOM 354 CA GLU 356 29.180 -18.783 6.011 1.00 1.00 ATOM 355 CA ASP 357 26.812 -15.782 6.047 1.00 1.00 ATOM 356 CA PHE 360 25.139 -16.881 2.827 1.00 1.00 ATOM 357 CA ALA 361 22.901 -19.467 4.471 1.00 1.00 ATOM 358 CA LYS 362 21.202 -16.726 6.482 1.00 1.00 ATOM 359 CA ALA 363 20.429 -14.630 3.431 1.00 1.00 ATOM 360 CA LEU 364 17.807 -16.703 1.638 1.00 1.00 ATOM 361 CA GLN 365 14.171 -15.833 1.226 1.00 1.00 ATOM 362 CA LEU 366 12.024 -12.919 0.243 1.00 1.00 ATOM 363 CA ALA 367 12.507 -10.793 3.343 1.00 1.00 ATOM 364 CA ASP 368 16.154 -9.690 3.183 1.00 1.00 ATOM 365 CA GLU 369 17.974 -6.852 1.402 1.00 1.00 ATOM 366 CA VAL 370 21.734 -6.271 1.514 1.00 1.00 ATOM 367 CA VAL 371 23.407 -2.865 1.354 1.00 1.00 ATOM 368 CA VAL 372 27.153 -3.356 0.986 1.00 1.00 ATOM 369 CA THR 373 29.798 -0.661 1.240 1.00 1.00 ATOM 370 CA GLU 374 33.467 0.094 1.779 1.00 1.00 ATOM 371 CA ILE 386 36.599 -1.677 0.647 1.00 1.00 ATOM 372 CA SER 387 35.136 -5.152 0.490 1.00 1.00 ATOM 373 CA GLY 388 31.597 -4.171 -0.468 1.00 1.00 ATOM 374 CA ILE 391 31.621 -6.133 -3.737 1.00 1.00 ATOM 375 CA TRP 392 32.686 -9.315 -2.003 1.00 1.00 ATOM 376 CA ASP 393 29.765 -9.009 0.394 1.00 1.00 ATOM 377 CA SER 394 27.254 -8.173 -2.368 1.00 1.00 ATOM 378 CA LEU 395 28.364 -11.392 -4.086 1.00 1.00 ATOM 379 CA LYS 396 26.825 -13.412 -1.247 1.00 1.00 ATOM 380 CA SER 397 23.446 -12.950 -2.926 1.00 1.00 ATOM 381 CA LEU 398 23.707 -10.393 -5.693 1.00 1.00 ATOM 382 CA GLY 399 20.017 -10.373 -6.592 1.00 1.00 ATOM 384 CA VAL 405 22.215 -6.625 -2.888 1.00 1.00 ATOM 385 CA GLU 406 23.144 -3.035 -3.598 1.00 1.00 ATOM 386 CA LYS 407 26.650 -1.667 -3.359 1.00 1.00 ATOM 387 CA LEU 408 27.648 1.880 -2.429 1.00 1.00 ATOM 388 CA PRO 409 31.003 3.443 -1.580 1.00 1.00 ATOM 389 CA GLU 410 30.078 4.595 1.928 1.00 1.00 ATOM 390 CA LEU 411 27.789 3.603 4.787 1.00 1.00 ATOM 391 CA GLU 412 25.938 6.918 4.647 1.00 1.00 ATOM 392 CA LYS 413 25.107 6.327 0.981 1.00 1.00 ATOM 393 CA VAL 414 23.764 2.859 1.860 1.00 1.00 ATOM 394 CA ILE 415 21.665 4.313 4.695 1.00 1.00 ATOM 395 CA SER 416 20.171 7.009 2.473 1.00 1.00 ATOM 396 CA VAL 417 19.428 4.362 -0.157 1.00 1.00 ATOM 402 CA SER 418 8.268 -0.365 6.045 1.00 1.00 ATOM 403 CA GLU 419 6.481 -0.920 9.386 1.00 1.00 ATOM 404 CA ASN 420 7.667 -4.262 10.738 1.00 1.00 ATOM 405 CA THR 421 11.123 -4.006 9.131 1.00 1.00 ATOM 406 CA VAL 422 14.512 -4.050 10.835 1.00 1.00 ATOM 407 CA PHE 423 17.622 -2.057 9.804 1.00 1.00 ATOM 408 CA LEU 424 20.738 -3.843 11.061 1.00 1.00 ATOM 409 CA PHE 425 24.301 -2.562 10.853 1.00 1.00 ATOM 410 CA VAL 426 26.298 -5.778 11.440 1.00 1.00 ATOM 411 CA GLY 427 29.090 -5.284 8.993 1.00 1.00 ATOM 412 CA ALA 428 31.335 -8.350 9.473 1.00 1.00 ATOM 413 CA GLY 429 34.358 -6.102 8.797 1.00 1.00 ATOM 414 CA ASP 430 36.633 -3.605 10.509 1.00 1.00 ATOM 415 CA ILE 431 35.971 0.128 9.937 1.00 1.00 ATOM 416 CA ILE 432 39.532 1.329 9.364 1.00 1.00 ATOM 417 CA TYR 433 39.287 1.612 5.562 1.00 1.00 ATOM 418 CA SER 434 36.933 4.612 5.893 1.00 1.00 ATOM 419 CA SER 435 36.583 5.561 9.582 1.00 1.00 ATOM 420 CA ARG 436 39.080 7.572 11.637 1.00 1.00 ATOM 421 CA ARG 437 38.774 5.811 14.980 1.00 1.00 ATOM 422 CA PHE 438 37.161 2.744 16.486 1.00 1.00 ATOM 423 CA VAL 439 33.867 4.321 17.569 1.00 1.00 ATOM 424 CA GLU 440 33.092 6.461 14.551 1.00 1.00 ATOM 425 CA ARG 441 31.138 3.997 12.409 1.00 1.00 ATOM 426 CA TYR 442 28.748 3.161 15.249 1.00 1.00 ATOM 427 CA GLN 443 28.323 6.819 16.176 1.00 1.00 ATOM 428 CA SER 444 27.566 7.692 12.553 1.00 1.00 ATOM 429 CA SER 445 24.973 4.916 12.193 1.00 1.00 ATOM 430 CA LYS 446 23.213 6.171 15.348 1.00 1.00 ATOM 431 CA SER 447 23.157 9.741 14.038 1.00 1.00 ATOM 432 CA SER 448 21.930 8.783 10.578 1.00 1.00 ATOM 433 CA PRO 449 19.245 6.389 11.918 1.00 1.00 ATOM 434 CA SER 450 17.909 9.208 14.077 1.00 1.00 ATOM 435 CA ARG 451 17.926 11.507 11.067 1.00 1.00 ATOM 436 CA VAL 452 16.384 9.013 8.671 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 10:58:01 2002 Date: Wed, 21 Aug 2002 10:57:55 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0185 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 Wed Aug 21 10:28:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_441824_29783 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0185TS007_5 Current information on models submitted in prediction T0185TS007 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_5 PIN_441824_29783 6269-7633-6117 08/21/02 10:28:40 casp5@bialko.llnl.gov T0185TS007_4 PIN_412615_29774 6269-7633-6117 08/21/02 10:25:47 casp5@bialko.llnl.gov T0185TS007_2 PIN_389175_29767 6269-7633-6117 08/21/02 10:23:13 casp5@bialko.llnl.gov T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 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 T0185 MODEL_INDEX PIN CODE DATE E-mail T0185TS007_1 PIN_370200_29762 6269-7633-6117 08/21/02 10:21:30 casp5@bialko.llnl.gov T0185TS007_2 PIN_389175_29767 6269-7633-6117 08/21/02 10:23:13 casp5@bialko.llnl.gov T0185TS007_4 PIN_412615_29774 6269-7633-6117 08/21/02 10:25:47 casp5@bialko.llnl.gov T0185TS007_5 PIN_441824_29783 6269-7633-6117 08/21/02 10:28:40 casp5@bialko.llnl.gov T0185SS007_1 PIN_675024_24608 6269-7633-6117 08/15/02 06:54:20 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 T0185 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 4UAG_A # Loading PARENT structure: 4uag (chain: A) # Number of residues in PARENT structure: 428 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue G 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue I 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue M 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue S 22 # IMPORTANT NOTE! Not complete main chain atoms for residue N 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue N 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 29 # IMPORTANT NOTE! Not complete main chain atoms for residue S 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue E 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue T 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue A 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue I 46 # IMPORTANT NOTE! Not complete main chain atoms for residue P 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue V 50 # IMPORTANT NOTE! Not complete main chain atoms for residue P 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue N 56 # IMPORTANT NOTE! Not complete main chain atoms for residue W 57 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 58 # IMPORTANT NOTE! Not complete main chain atoms for residue D 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue L 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue P 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue N 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue M 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue R 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue I 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 92 # IMPORTANT NOTE! Not complete main chain atoms for residue F 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue M 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue L 124 # IMPORTANT NOTE! Not complete main chain atoms for residue K 125 # IMPORTANT NOTE! Not complete main chain atoms for residue H 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue K 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue P 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue F 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue G 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue I 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 147 # IMPORTANT NOTE! Not complete main chain atoms for residue E 148 # IMPORTANT NOTE! Not complete main chain atoms for residue K 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue N 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue V 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue F 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue P 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue L 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue N 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue N 188 # IMPORTANT NOTE! Not complete main chain atoms for residue S 189 # IMPORTANT NOTE! Not complete main chain atoms for residue L 190 # IMPORTANT NOTE! Not complete main chain atoms for residue T 191 # IMPORTANT NOTE! Not complete main chain atoms for residue R 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue S 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue K 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue S 201 # IMPORTANT NOTE! Not complete main chain atoms for residue R 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue T 204 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue T 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue T 216 # IMPORTANT NOTE! Not complete main chain atoms for residue S 217 # IMPORTANT NOTE! Not complete main chain atoms for residue H 218 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue E 234 # IMPORTANT NOTE! Not complete main chain atoms for residue M 235 # IMPORTANT NOTE! Not complete main chain atoms for residue R 236 # IMPORTANT NOTE! Not complete main chain atoms for residue S 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue R 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue M 246 # IMPORTANT NOTE! Not complete main chain atoms for residue V 247 # IMPORTANT NOTE! Not complete main chain atoms for residue E 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue N 250 # IMPORTANT NOTE! Not complete main chain atoms for residue G 251 # IMPORTANT NOTE! Not complete main chain atoms for residue K 252 # IMPORTANT NOTE! Not complete main chain atoms for residue R 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue E 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue L 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue P 262 # IMPORTANT NOTE! Not complete main chain atoms for residue G 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue H 265 # IMPORTANT NOTE! Not complete main chain atoms for residue N 266 # IMPORTANT NOTE! Not complete main chain atoms for residue V 267 # IMPORTANT NOTE! Not complete main chain atoms for residue L 268 # IMPORTANT NOTE! Not complete main chain atoms for residue N 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue I 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue F 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue S 279 # IMPORTANT NOTE! Not complete main chain atoms for residue L 280 # IMPORTANT NOTE! Not complete main chain atoms for residue G 281 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 282 # IMPORTANT NOTE! Not complete main chain atoms for residue D 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue A 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue V 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue A 290 # IMPORTANT NOTE! Not complete main chain atoms for residue L 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue E 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue R 295 # IMPORTANT NOTE! Not complete main chain atoms for residue G 296 # IMPORTANT NOTE! Not complete main chain atoms for residue V 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue R 299 # IMPORTANT NOTE! Not complete main chain atoms for residue R 300 # IMPORTANT NOTE! Not complete main chain atoms for residue F 301 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue I 303 # IMPORTANT NOTE! Not complete main chain atoms for residue A 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue H 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue N 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 313 # IMPORTANT NOTE! Not complete main chain atoms for residue V 314 # IMPORTANT NOTE! Not complete main chain atoms for residue I 315 # IMPORTANT NOTE! Not complete main chain atoms for residue D 316 # IMPORTANT NOTE! Not complete main chain atoms for residue D 317 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 318 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # IMPORTANT NOTE! Not complete main chain atoms for residue H 320 # IMPORTANT NOTE! Not complete main chain atoms for residue T 321 # IMPORTANT NOTE! Not complete main chain atoms for residue P 322 # IMPORTANT NOTE! Not complete main chain atoms for residue D 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue I 325 # IMPORTANT NOTE! Not complete main chain atoms for residue R 326 # IMPORTANT NOTE! Not complete main chain atoms for residue N 327 # IMPORTANT NOTE! Not complete main chain atoms for residue L 328 # IMPORTANT NOTE! Not complete main chain atoms for residue L 329 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 330 # IMPORTANT NOTE! Not complete main chain atoms for residue T 331 # IMPORTANT NOTE! Not complete main chain atoms for residue A 332 # IMPORTANT NOTE! Not complete main chain atoms for residue K 333 # IMPORTANT NOTE! Not complete main chain atoms for residue F 336 # IMPORTANT NOTE! Not complete main chain atoms for residue E 337 # IMPORTANT NOTE! Not complete main chain atoms for residue N 338 # IMPORTANT NOTE! Not complete main chain atoms for residue K 340 # IMPORTANT NOTE! Not complete main chain atoms for residue I 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue V 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue F 345 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 346 # IMPORTANT NOTE! Not complete main chain atoms for residue P 347 # IMPORTANT NOTE! Not complete main chain atoms for residue H 348 # IMPORTANT NOTE! Not complete main chain atoms for residue R 349 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 350 # IMPORTANT NOTE! Not complete main chain atoms for residue S 351 # IMPORTANT NOTE! Not complete main chain atoms for residue R 352 # IMPORTANT NOTE! Not complete main chain atoms for residue L 353 # IMPORTANT NOTE! Not complete main chain atoms for residue E 354 # IMPORTANT NOTE! Not complete main chain atoms for residue R 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue D 357 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue A 361 # IMPORTANT NOTE! Not complete main chain atoms for residue K 362 # IMPORTANT NOTE! Not complete main chain atoms for residue A 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 365 # IMPORTANT NOTE! Not complete main chain atoms for residue L 366 # IMPORTANT NOTE! Not complete main chain atoms for residue A 367 # IMPORTANT NOTE! Not complete main chain atoms for residue D 368 # IMPORTANT NOTE! Not complete main chain atoms for residue E 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue V 371 # IMPORTANT NOTE! Not complete main chain atoms for residue V 372 # IMPORTANT NOTE! Not complete main chain atoms for residue T 373 # IMPORTANT NOTE! Not complete main chain atoms for residue E 374 # IMPORTANT NOTE! Not complete main chain atoms for residue I 386 # IMPORTANT NOTE! Not complete main chain atoms for residue S 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue I 391 # IMPORTANT NOTE! Not complete main chain atoms for residue W 392 # IMPORTANT NOTE! Not complete main chain atoms for residue D 393 # IMPORTANT NOTE! Not complete main chain atoms for residue S 394 # IMPORTANT NOTE! Not complete main chain atoms for residue L 395 # IMPORTANT NOTE! Not complete main chain atoms for residue K 396 # IMPORTANT NOTE! Not complete main chain atoms for residue S 397 # IMPORTANT NOTE! Not complete main chain atoms for residue L 398 # IMPORTANT NOTE! Not complete main chain atoms for residue G 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue E 406 # IMPORTANT NOTE! Not complete main chain atoms for residue K 407 # IMPORTANT NOTE! Not complete main chain atoms for residue L 408 # IMPORTANT NOTE! Not complete main chain atoms for residue P 409 # IMPORTANT NOTE! Not complete main chain atoms for residue E 410 # IMPORTANT NOTE! Not complete main chain atoms for residue L 411 # IMPORTANT NOTE! Not complete main chain atoms for residue E 412 # IMPORTANT NOTE! Not complete main chain atoms for residue K 413 # IMPORTANT NOTE! Not complete main chain atoms for residue V 414 # IMPORTANT NOTE! Not complete main chain atoms for residue I 415 # IMPORTANT NOTE! Not complete main chain atoms for residue S 416 # IMPORTANT NOTE! Not complete main chain atoms for residue V 417 # IMPORTANT NOTE! Not complete main chain atoms for residue S 418 # IMPORTANT NOTE! Not complete main chain atoms for residue E 419 # IMPORTANT NOTE! Not complete main chain atoms for residue N 420 # IMPORTANT NOTE! Not complete main chain atoms for residue T 421 # IMPORTANT NOTE! Not complete main chain atoms for residue V 422 # IMPORTANT NOTE! Not complete main chain atoms for residue F 423 # IMPORTANT NOTE! Not complete main chain atoms for residue L 424 # IMPORTANT NOTE! Not complete main chain atoms for residue F 425 # IMPORTANT NOTE! Not complete main chain atoms for residue V 426 # IMPORTANT NOTE! Not complete main chain atoms for residue G 427 # IMPORTANT NOTE! Not complete main chain atoms for residue A 428 # IMPORTANT NOTE! Not complete main chain atoms for residue G 429 # IMPORTANT NOTE! Not complete main chain atoms for residue D 430 # IMPORTANT NOTE! Not complete main chain atoms for residue I 431 # IMPORTANT NOTE! Not complete main chain atoms for residue I 432 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 433 # IMPORTANT NOTE! Not complete main chain atoms for residue S 434 # IMPORTANT NOTE! Not complete main chain atoms for residue S 435 # IMPORTANT NOTE! Not complete main chain atoms for residue R 436 # IMPORTANT NOTE! Not complete main chain atoms for residue R 437 # IMPORTANT NOTE! Not complete main chain atoms for residue F 438 # IMPORTANT NOTE! Not complete main chain atoms for residue V 439 # IMPORTANT NOTE! Not complete main chain atoms for residue E 440 # IMPORTANT NOTE! Not complete main chain atoms for residue R 441 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 442 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 443 # IMPORTANT NOTE! Not complete main chain atoms for residue S 444 # IMPORTANT NOTE! Not complete main chain atoms for residue S 445 # IMPORTANT NOTE! Not complete main chain atoms for residue K 446 # IMPORTANT NOTE! Not complete main chain atoms for residue S 447 # IMPORTANT NOTE! Not complete main chain atoms for residue S 448 # IMPORTANT NOTE! Not complete main chain atoms for residue P 449 # IMPORTANT NOTE! Not complete main chain atoms for residue S 450 # IMPORTANT NOTE! Not complete main chain atoms for residue R 451 # IMPORTANT NOTE! Not complete main chain atoms for residue V 452 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0185 # Total number of residues in target: 457 # Total number of residues in model: 410 # Total number of atoms in model: 410 # Number of atoms with 1.0 occupancy: 410 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 410 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0185 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 4UAG_A ATOM 6 CA MET 1 69.574 2.058 27.124 1.00 1.00 ATOM 7 CA LYS 2 69.097 2.896 23.452 1.00 1.00 ATOM 8 CA ILE 3 65.301 2.571 23.242 1.00 1.00 ATOM 9 CA HIS 4 63.440 2.626 19.907 1.00 1.00 ATOM 10 CA PHE 5 59.615 2.673 19.724 1.00 1.00 ATOM 11 CA VAL 6 57.717 1.635 16.588 1.00 1.00 ATOM 12 CA GLY 7 54.331 3.283 16.196 1.00 1.00 ATOM 13 CA ILE 8 53.059 6.809 16.718 1.00 1.00 ATOM 14 CA GLY 9 49.539 5.804 17.558 1.00 1.00 ATOM 15 CA GLY 10 48.019 5.579 21.031 1.00 1.00 ATOM 16 CA ILE 11 50.417 2.868 22.200 1.00 1.00 ATOM 17 CA GLY 12 53.575 4.567 20.924 1.00 1.00 ATOM 18 CA MET 13 52.729 7.892 22.579 1.00 1.00 ATOM 19 CA SER 14 52.112 6.159 25.910 1.00 1.00 ATOM 20 CA ALA 15 55.488 4.411 25.600 1.00 1.00 ATOM 21 CA VAL 16 57.257 7.697 24.826 1.00 1.00 ATOM 22 CA ALA 17 55.838 9.136 28.026 1.00 1.00 ATOM 23 CA HIS 19 56.648 5.971 29.991 1.00 1.00 ATOM 24 CA GLU 20 60.328 6.226 29.081 1.00 1.00 ATOM 25 CA PHE 21 60.647 10.000 29.470 1.00 1.00 ATOM 26 CA SER 22 59.216 9.785 33.005 1.00 1.00 ATOM 27 CA ASN 23 62.057 7.347 33.789 1.00 1.00 ATOM 28 CA GLY 24 64.893 9.487 32.471 1.00 1.00 ATOM 29 CA ASN 25 65.207 7.706 29.120 1.00 1.00 ATOM 30 CA ASP 26 64.710 9.565 25.826 1.00 1.00 ATOM 31 CA VAL 27 63.481 7.032 23.224 1.00 1.00 ATOM 32 CA TYR 28 63.481 7.420 19.447 1.00 1.00 ATOM 33 CA GLY 29 60.196 6.741 17.653 1.00 1.00 ATOM 34 CA SER 30 59.455 5.576 14.107 1.00 1.00 ATOM 35 CA ASN 31 56.358 4.715 12.065 1.00 1.00 ATOM 36 CA ILE 32 55.960 3.362 8.516 1.00 1.00 ATOM 37 CA GLU 33 53.084 5.818 7.910 1.00 1.00 ATOM 38 CA GLU 34 54.148 9.032 6.174 1.00 1.00 ATOM 39 CA THR 35 51.828 11.110 8.334 1.00 1.00 ATOM 40 CA GLU 36 50.999 9.099 11.482 1.00 1.00 ATOM 41 CA ARG 37 48.175 10.469 13.667 1.00 1.00 ATOM 42 CA THR 38 50.220 11.031 16.841 1.00 1.00 ATOM 43 CA ALA 39 52.865 13.237 15.226 1.00 1.00 ATOM 44 CA TYR 40 51.313 16.426 16.632 1.00 1.00 ATOM 45 CA LEU 41 51.244 15.034 20.168 1.00 1.00 ATOM 46 CA ARG 42 54.865 13.823 20.140 1.00 1.00 ATOM 47 CA LYS 43 57.106 16.066 22.333 1.00 1.00 ATOM 48 CA LEU 44 59.566 18.233 20.389 1.00 1.00 ATOM 49 CA GLY 45 62.622 16.691 22.070 1.00 1.00 ATOM 50 CA ILE 46 61.891 13.160 20.841 1.00 1.00 ATOM 51 CA PRO 47 63.521 12.131 17.548 1.00 1.00 ATOM 52 CA ILE 48 61.053 10.655 15.095 1.00 1.00 ATOM 53 CA PHE 49 61.242 8.966 11.714 1.00 1.00 ATOM 54 CA VAL 50 58.211 8.487 9.477 1.00 1.00 ATOM 55 CA PRO 51 57.408 6.929 6.133 1.00 1.00 ATOM 57 CA HIS 52 61.172 1.776 9.504 1.00 1.00 ATOM 58 CA SER 53 64.691 3.107 10.084 1.00 1.00 ATOM 59 CA ALA 54 67.114 0.155 10.138 1.00 1.00 ATOM 60 CA ASP 55 69.982 2.320 11.350 1.00 1.00 ATOM 61 CA ASN 56 67.911 3.026 14.449 1.00 1.00 ATOM 62 CA TRP 57 66.639 -0.558 14.783 1.00 1.00 ATOM 63 CA TYR 58 70.017 -2.271 14.571 1.00 1.00 ATOM 64 CA ASP 59 71.496 0.253 17.041 1.00 1.00 ATOM 65 CA PRO 60 68.799 -0.327 19.655 1.00 1.00 ATOM 66 CA ASP 61 69.214 -2.034 23.000 1.00 1.00 ATOM 67 CA LEU 62 65.434 -2.383 23.248 1.00 1.00 ATOM 68 CA VAL 63 62.764 -2.180 20.554 1.00 1.00 ATOM 69 CA ILE 64 59.205 -1.466 21.714 1.00 1.00 ATOM 70 CA LYS 65 56.882 -2.599 18.937 1.00 1.00 ATOM 71 CA THR 66 53.283 -1.347 18.767 1.00 1.00 ATOM 72 CA PRO 67 50.718 -4.145 18.146 1.00 1.00 ATOM 73 CA ALA 68 50.093 -2.722 14.676 1.00 1.00 ATOM 74 CA VAL 69 53.504 -3.750 13.283 1.00 1.00 ATOM 75 CA ARG 70 54.114 -7.432 12.521 1.00 1.00 ATOM 76 CA ASP 71 57.075 -9.091 14.222 1.00 1.00 ATOM 77 CA ASP 72 57.597 -10.803 10.859 1.00 1.00 ATOM 78 CA ASN 73 58.435 -7.436 9.294 1.00 1.00 ATOM 79 CA PRO 74 61.860 -7.960 7.633 1.00 1.00 ATOM 80 CA GLU 75 63.425 -5.049 9.561 1.00 1.00 ATOM 81 CA ILE 76 62.132 -6.435 12.862 1.00 1.00 ATOM 82 CA VAL 77 63.130 -10.023 12.097 1.00 1.00 ATOM 83 CA ARG 78 66.606 -8.718 11.246 1.00 1.00 ATOM 84 CA ALA 79 66.791 -7.065 14.685 1.00 1.00 ATOM 85 CA ARG 80 65.561 -10.251 16.399 1.00 1.00 ATOM 86 CA MET 81 68.160 -12.296 14.510 1.00 1.00 ATOM 87 CA GLU 82 70.804 -9.923 15.882 1.00 1.00 ATOM 88 CA ARG 83 69.520 -10.710 19.353 1.00 1.00 ATOM 89 CA VAL 84 67.992 -7.288 19.953 1.00 1.00 ATOM 90 CA PRO 85 65.220 -7.512 22.569 1.00 1.00 ATOM 91 CA ILE 86 61.743 -6.714 21.256 1.00 1.00 ATOM 92 CA GLU 87 58.777 -6.140 23.592 1.00 1.00 ATOM 93 CA ASN 88 55.391 -4.439 23.442 1.00 1.00 ATOM 94 CA ARG 89 53.652 -2.014 25.805 1.00 1.00 ATOM 95 CA LEU 90 51.815 -4.853 27.592 1.00 1.00 ATOM 96 CA HIS 91 55.224 -6.369 28.379 1.00 1.00 ATOM 97 CA TYR 92 56.445 -3.059 29.832 1.00 1.00 ATOM 98 CA PHE 93 53.217 -2.833 31.850 1.00 1.00 ATOM 99 CA THR 96 53.556 -6.368 33.306 1.00 1.00 ATOM 100 CA LEU 97 57.069 -5.616 34.478 1.00 1.00 ATOM 101 CA ARG 99 55.753 -2.574 36.383 1.00 1.00 ATOM 102 CA GLU 100 52.281 -3.574 37.565 1.00 1.00 ATOM 103 CA LYS 101 51.913 -3.945 41.367 1.00 1.00 ATOM 104 CA LYS 102 48.377 -5.457 41.495 1.00 1.00 ATOM 105 CA GLU 103 46.951 -8.751 40.128 1.00 1.00 ATOM 106 CA GLU 104 46.041 -8.815 36.426 1.00 1.00 ATOM 107 CA PHE 105 42.993 -10.476 34.894 1.00 1.00 ATOM 108 CA ALA 106 43.782 -11.008 31.210 1.00 1.00 ATOM 109 CA VAL 107 41.176 -11.626 28.520 1.00 1.00 ATOM 110 CA THR 108 41.521 -12.470 24.835 1.00 1.00 ATOM 111 CA GLY 109 39.408 -14.196 22.175 1.00 1.00 ATOM 112 CA THR 110 37.998 -13.608 18.708 1.00 1.00 ATOM 113 CA ASP 111 34.701 -12.271 20.085 1.00 1.00 ATOM 114 CA GLY 112 33.350 -11.202 23.472 1.00 1.00 ATOM 115 CA LYS 113 36.589 -9.870 24.912 1.00 1.00 ATOM 116 CA THR 114 35.487 -6.224 25.433 1.00 1.00 ATOM 117 CA THR 115 32.229 -7.381 26.995 1.00 1.00 ATOM 118 CA THR 116 33.981 -9.754 29.408 1.00 1.00 ATOM 119 CA THR 117 36.733 -7.229 30.207 1.00 1.00 ATOM 120 CA ALA 118 34.152 -4.536 31.006 1.00 1.00 ATOM 121 CA MET 119 32.029 -6.943 33.064 1.00 1.00 ATOM 122 CA VAL 120 34.987 -7.996 35.219 1.00 1.00 ATOM 123 CA ALA 121 35.740 -4.289 35.703 1.00 1.00 ATOM 124 CA HIS 122 32.129 -3.746 36.807 1.00 1.00 ATOM 125 CA VAL 123 32.289 -6.699 39.159 1.00 1.00 ATOM 126 CA LEU 124 35.435 -5.182 40.753 1.00 1.00 ATOM 127 CA LYS 125 33.770 -1.782 41.130 1.00 1.00 ATOM 128 CA HIS 126 30.692 -3.427 42.706 1.00 1.00 ATOM 129 CA LEU 127 33.049 -4.894 45.346 1.00 1.00 ATOM 130 CA ARG 128 34.589 -1.475 46.011 1.00 1.00 ATOM 131 CA LYS 129 37.901 -2.489 44.459 1.00 1.00 ATOM 132 CA SER 130 40.067 0.185 42.835 1.00 1.00 ATOM 133 CA PRO 131 40.252 -1.279 39.324 1.00 1.00 ATOM 134 CA THR 132 42.111 -0.205 36.188 1.00 1.00 ATOM 135 CA VAL 133 40.582 -1.405 32.908 1.00 1.00 ATOM 136 CA PHE 134 42.406 -1.096 29.596 1.00 1.00 ATOM 137 CA LEU 135 44.478 -2.676 26.861 1.00 1.00 ATOM 138 CA GLY 136 43.115 -3.420 23.381 1.00 1.00 ATOM 139 CA GLY 137 39.709 -2.175 24.604 1.00 1.00 ATOM 140 CA ILE 138 41.126 1.298 24.024 1.00 1.00 ATOM 141 CA MET 139 42.987 2.758 27.001 1.00 1.00 ATOM 142 CA ASP 140 46.719 1.953 26.685 1.00 1.00 ATOM 143 CA SER 141 47.746 -0.271 29.611 1.00 1.00 ATOM 144 CA LEU 142 50.708 1.906 30.665 1.00 1.00 ATOM 145 CA GLY 145 48.190 4.694 31.315 1.00 1.00 ATOM 146 CA ASN 146 46.573 2.489 33.944 1.00 1.00 ATOM 147 CA TYR 147 49.687 2.249 36.147 1.00 1.00 ATOM 148 CA GLU 148 48.645 3.520 39.557 1.00 1.00 ATOM 149 CA LYS 149 49.981 2.750 43.006 1.00 1.00 ATOM 150 CA GLY 150 46.461 2.804 44.396 1.00 1.00 ATOM 151 CA ASN 151 45.198 0.268 41.875 1.00 1.00 ATOM 152 CA GLY 152 44.127 -3.037 43.433 1.00 1.00 ATOM 153 CA PRO 153 43.200 -4.999 40.306 1.00 1.00 ATOM 154 CA VAL 154 43.982 -4.588 36.607 1.00 1.00 ATOM 155 CA VAL 155 41.688 -5.993 33.941 1.00 1.00 ATOM 156 CA TYR 156 43.269 -6.109 30.479 1.00 1.00 ATOM 157 CA GLU 157 41.711 -6.865 27.150 1.00 1.00 ATOM 158 CA LEU 158 44.580 -8.326 25.068 1.00 1.00 ATOM 159 CA ASP 159 44.739 -8.852 21.313 1.00 1.00 ATOM 160 CA GLU 160 46.683 -11.714 19.721 1.00 1.00 ATOM 161 CA SER 161 49.067 -8.977 18.433 1.00 1.00 ATOM 162 CA GLU 162 49.787 -7.701 21.967 1.00 1.00 ATOM 163 CA GLU 163 50.259 -11.272 23.228 1.00 1.00 ATOM 164 CA PHE 164 52.926 -12.004 20.591 1.00 1.00 ATOM 166 CA PHE 165 54.436 -10.247 25.792 1.00 1.00 ATOM 167 CA SER 166 56.571 -12.626 27.862 1.00 1.00 ATOM 168 CA GLU 167 56.200 -11.514 31.495 1.00 1.00 ATOM 169 CA PHE 168 52.448 -11.774 31.995 1.00 1.00 ATOM 170 CA SER 169 51.536 -13.847 35.051 1.00 1.00 ATOM 171 CA PRO 170 47.779 -13.382 35.221 1.00 1.00 ATOM 172 CA ASN 171 45.793 -14.210 38.365 1.00 1.00 ATOM 173 CA TYR 172 43.142 -15.427 35.894 1.00 1.00 ATOM 174 CA LEU 173 43.422 -15.651 32.094 1.00 1.00 ATOM 175 CA ILE 174 41.008 -16.682 29.361 1.00 1.00 ATOM 176 CA ILE 175 40.730 -17.276 25.655 1.00 1.00 ATOM 177 CA THR 176 36.996 -16.858 25.079 1.00 1.00 ATOM 178 CA ASN 177 37.014 -18.422 21.623 1.00 1.00 ATOM 179 CA ALA 178 39.143 -18.726 18.491 1.00 1.00 ATOM 180 CA ARG 179 37.550 -18.104 15.101 1.00 1.00 ATOM 181 CA GLY 180 39.282 -17.066 11.880 1.00 1.00 ATOM 182 CA ASP 181 40.488 -13.488 12.124 1.00 1.00 ATOM 183 CA HIS 182 43.563 -11.391 11.330 1.00 1.00 ATOM 184 CA LEU 183 44.697 -13.780 8.590 1.00 1.00 ATOM 185 CA GLU 184 46.424 -10.796 6.973 1.00 1.00 ATOM 186 CA ASN 185 48.846 -10.932 9.935 1.00 1.00 ATOM 187 CA TYR 186 49.099 -14.720 10.245 1.00 1.00 ATOM 188 CA GLY 187 50.517 -16.392 7.095 1.00 1.00 ATOM 189 CA ASN 188 50.621 -19.720 8.944 1.00 1.00 ATOM 190 CA SER 189 46.885 -19.470 9.409 1.00 1.00 ATOM 191 CA LEU 190 44.581 -20.446 12.237 1.00 1.00 ATOM 192 CA THR 191 47.084 -22.352 14.331 1.00 1.00 ATOM 193 CA ARG 192 49.532 -19.425 14.279 1.00 1.00 ATOM 194 CA TYR 193 46.784 -17.028 15.333 1.00 1.00 ATOM 195 CA ARG 194 45.787 -19.542 18.044 1.00 1.00 ATOM 196 CA SER 195 49.398 -19.857 19.188 1.00 1.00 ATOM 197 CA ALA 196 49.526 -16.102 19.812 1.00 1.00 ATOM 199 CA GLU 198 47.659 -19.335 23.939 1.00 1.00 ATOM 200 CA LYS 199 50.519 -17.213 25.337 1.00 1.00 ATOM 201 CA ILE 200 47.973 -15.655 27.709 1.00 1.00 ATOM 202 CA SER 201 47.897 -18.833 29.836 1.00 1.00 ATOM 203 CA ARG 202 51.685 -18.956 30.448 1.00 1.00 ATOM 204 CA ASN 203 52.221 -18.628 34.218 1.00 1.00 ATOM 205 CA THR 204 48.552 -17.741 34.823 1.00 1.00 ATOM 206 CA ASP 205 47.359 -18.788 38.294 1.00 1.00 ATOM 207 CA LEU 206 43.935 -19.816 36.978 1.00 1.00 ATOM 208 CA VAL 207 43.234 -20.515 33.271 1.00 1.00 ATOM 209 CA VAL 208 39.626 -20.210 32.155 1.00 1.00 ATOM 210 CA THR 209 38.764 -22.088 28.965 1.00 1.00 ATOM 211 CA PHE 210 35.659 -22.480 26.771 1.00 1.00 ATOM 212 CA ALA 211 34.443 -26.085 27.098 1.00 1.00 ATOM 213 CA GLU 212 32.698 -25.717 23.734 1.00 1.00 ATOM 214 CA ASP 213 35.785 -24.455 21.869 1.00 1.00 ATOM 215 CA GLU 214 38.751 -26.813 21.959 1.00 1.00 ATOM 216 CA LEU 215 41.078 -24.234 20.397 1.00 1.00 ATOM 217 CA THR 216 40.804 -22.228 23.640 1.00 1.00 ATOM 218 CA SER 217 42.469 -25.038 25.509 1.00 1.00 ATOM 219 CA HIS 218 46.210 -25.127 26.219 1.00 1.00 ATOM 220 CA LEU 219 47.205 -28.763 26.108 1.00 1.00 ATOM 226 CA LYS 227 43.915 -28.072 34.674 1.00 1.00 ATOM 227 CA LYS 228 41.716 -25.176 33.635 1.00 1.00 ATOM 228 CA GLY 229 38.420 -23.894 34.986 1.00 1.00 ATOM 229 CA THR 230 35.858 -24.123 32.176 1.00 1.00 ATOM 230 CA TYR 231 32.675 -22.385 31.098 1.00 1.00 ATOM 231 CA THR 232 30.203 -23.594 28.486 1.00 1.00 ATOM 232 CA LEU 233 26.581 -23.924 27.441 1.00 1.00 ATOM 233 CA GLU 234 25.780 -27.458 28.564 1.00 1.00 ATOM 234 CA MET 235 29.270 -28.364 29.784 1.00 1.00 ATOM 236 CA ARG 236 32.377 -25.685 35.737 1.00 1.00 ATOM 237 CA SER 237 30.349 -22.626 34.807 1.00 1.00 ATOM 238 CA ALA 238 27.405 -23.498 32.533 1.00 1.00 ATOM 239 CA SER 239 23.817 -22.668 31.578 1.00 1.00 ATOM 240 CA ARG 240 20.654 -24.362 32.829 1.00 1.00 ATOM 241 CA ALA 241 17.599 -23.935 30.666 1.00 1.00 ATOM 245 CA ALA 245 14.260 -19.364 30.973 1.00 1.00 ATOM 248 CA MET 246 23.785 -19.236 35.156 1.00 1.00 ATOM 249 CA VAL 247 25.138 -22.174 37.198 1.00 1.00 ATOM 250 CA GLU 248 28.411 -22.900 38.933 1.00 1.00 ATOM 251 CA LYS 249 28.865 -26.645 39.182 1.00 1.00 ATOM 252 CA ASN 250 25.174 -27.509 39.291 1.00 1.00 ATOM 253 CA GLY 251 24.111 -24.675 41.617 1.00 1.00 ATOM 254 CA LYS 252 21.864 -21.934 40.206 1.00 1.00 ATOM 255 CA ARG 253 23.434 -18.523 40.748 1.00 1.00 ATOM 256 CA TYR 254 21.459 -16.193 38.454 1.00 1.00 ATOM 257 CA LEU 255 18.296 -16.203 36.370 1.00 1.00 ATOM 258 CA GLU 256 19.338 -14.299 33.212 1.00 1.00 ATOM 259 CA LEU 257 16.047 -12.383 33.231 1.00 1.00 ATOM 260 CA LYS 258 17.918 -10.258 35.802 1.00 1.00 ATOM 261 CA LEU 259 20.543 -9.382 33.160 1.00 1.00 ATOM 262 CA LYS 260 20.234 -6.461 30.764 1.00 1.00 ATOM 263 CA VAL 261 22.307 -8.358 28.160 1.00 1.00 ATOM 264 CA PRO 262 20.598 -11.073 26.110 1.00 1.00 ATOM 265 CA GLY 263 21.661 -13.833 23.738 1.00 1.00 ATOM 266 CA PHE 264 23.293 -17.140 24.563 1.00 1.00 ATOM 267 CA HIS 265 26.763 -15.855 23.651 1.00 1.00 ATOM 268 CA ASN 266 26.335 -13.068 26.189 1.00 1.00 ATOM 269 CA VAL 267 25.273 -15.568 28.843 1.00 1.00 ATOM 270 CA LEU 268 28.468 -17.515 28.255 1.00 1.00 ATOM 271 CA ASN 269 30.294 -14.152 28.363 1.00 1.00 ATOM 272 CA ALA 270 28.709 -13.634 31.791 1.00 1.00 ATOM 273 CA LEU 271 29.923 -17.109 32.865 1.00 1.00 ATOM 274 CA ALA 272 33.469 -16.289 31.703 1.00 1.00 ATOM 275 CA VAL 273 33.406 -12.985 33.586 1.00 1.00 ATOM 276 CA ILE 274 32.153 -14.666 36.753 1.00 1.00 ATOM 277 CA ALA 275 34.815 -17.380 36.515 1.00 1.00 ATOM 278 CA LEU 276 37.557 -14.744 36.175 1.00 1.00 ATOM 279 CA PHE 277 36.087 -12.599 38.980 1.00 1.00 ATOM 280 CA ASP 278 35.874 -15.682 41.224 1.00 1.00 ATOM 281 CA SER 279 39.521 -16.580 40.501 1.00 1.00 ATOM 282 CA LEU 280 40.606 -12.995 41.158 1.00 1.00 ATOM 283 CA GLY 281 39.025 -13.292 44.623 1.00 1.00 ATOM 284 CA TYR 282 36.072 -10.907 44.145 1.00 1.00 ATOM 285 CA ASP 283 32.939 -11.674 46.233 1.00 1.00 ATOM 286 CA LEU 284 30.389 -13.565 44.099 1.00 1.00 ATOM 287 CA ALA 285 27.480 -11.506 45.459 1.00 1.00 ATOM 288 CA PRO 286 28.761 -8.186 44.152 1.00 1.00 ATOM 289 CA VAL 287 29.928 -9.882 40.940 1.00 1.00 ATOM 290 CA LEU 288 26.362 -11.082 40.291 1.00 1.00 ATOM 291 CA GLU 289 25.062 -7.566 41.018 1.00 1.00 ATOM 292 CA ALA 290 27.292 -6.142 38.264 1.00 1.00 ATOM 293 CA LEU 291 25.812 -8.680 35.837 1.00 1.00 ATOM 294 CA GLU 292 22.355 -7.271 36.466 1.00 1.00 ATOM 295 CA GLU 293 23.352 -3.635 35.892 1.00 1.00 ATOM 296 CA PHE 294 25.628 -3.846 32.834 1.00 1.00 ATOM 297 CA ARG 295 23.805 -2.600 29.737 1.00 1.00 ATOM 298 CA GLY 296 26.358 -3.298 27.020 1.00 1.00 ATOM 299 CA VAL 297 28.927 -1.441 24.938 1.00 1.00 ATOM 300 CA HIS 298 28.668 1.153 22.139 1.00 1.00 ATOM 301 CA ARG 299 28.782 -0.422 18.674 1.00 1.00 ATOM 302 CA ARG 300 28.040 -3.888 20.063 1.00 1.00 ATOM 303 CA PHE 301 24.554 -4.854 18.814 1.00 1.00 ATOM 304 CA SER 302 23.483 -1.376 19.940 1.00 1.00 ATOM 305 CA ILE 303 19.964 -0.211 19.078 1.00 1.00 ATOM 306 CA ALA 304 20.567 3.343 17.857 1.00 1.00 ATOM 307 CA PHE 305 17.017 4.051 16.615 1.00 1.00 ATOM 308 CA HIS 306 13.713 2.294 17.038 1.00 1.00 ATOM 309 CA GLU 309 11.101 4.192 15.126 1.00 1.00 ATOM 310 CA THR 310 8.036 3.367 12.998 1.00 1.00 ATOM 311 CA ASN 311 8.309 -0.285 13.910 1.00 1.00 ATOM 312 CA ILE 312 11.940 -0.569 12.761 1.00 1.00 ATOM 313 CA TYR 313 15.046 -1.198 14.887 1.00 1.00 ATOM 314 CA VAL 314 18.333 0.142 13.480 1.00 1.00 ATOM 315 CA ILE 315 21.154 -1.737 15.151 1.00 1.00 ATOM 316 CA ASP 316 24.773 -0.670 15.200 1.00 1.00 ATOM 317 CA ASP 317 26.940 -3.786 15.488 1.00 1.00 ATOM 318 CA TYR 318 29.975 -2.091 13.920 1.00 1.00 ATOM 319 CA ALA 319 32.114 -3.921 16.500 1.00 1.00 ATOM 320 CA HIS 320 31.498 -7.079 14.420 1.00 1.00 ATOM 322 CA THR 321 35.023 -10.761 11.909 1.00 1.00 ATOM 323 CA PRO 322 32.776 -13.555 10.664 1.00 1.00 ATOM 324 CA ASP 323 32.366 -15.140 14.107 1.00 1.00 ATOM 325 CA GLU 324 31.022 -11.878 15.542 1.00 1.00 ATOM 326 CA ILE 325 28.463 -11.420 12.759 1.00 1.00 ATOM 327 CA ARG 326 27.438 -15.059 13.326 1.00 1.00 ATOM 328 CA ASN 327 26.756 -14.198 16.972 1.00 1.00 ATOM 329 CA LEU 328 24.417 -11.407 15.762 1.00 1.00 ATOM 330 CA LEU 329 22.562 -13.545 13.196 1.00 1.00 ATOM 331 CA GLN 330 22.336 -16.871 15.028 1.00 1.00 ATOM 332 CA THR 331 18.824 -17.043 16.435 1.00 1.00 ATOM 333 CA ALA 332 18.021 -13.479 15.381 1.00 1.00 ATOM 334 CA LYS 333 14.287 -12.804 15.354 1.00 1.00 ATOM 335 CA PHE 336 13.095 -10.311 12.750 1.00 1.00 ATOM 336 CA GLU 337 9.415 -9.674 12.137 1.00 1.00 ATOM 337 CA ASN 338 9.749 -8.441 8.572 1.00 1.00 ATOM 338 CA LYS 340 12.848 -8.182 6.392 1.00 1.00 ATOM 339 CA ILE 341 16.435 -8.037 7.670 1.00 1.00 ATOM 340 CA VAL 342 18.440 -5.408 5.840 1.00 1.00 ATOM 341 CA VAL 343 21.997 -6.566 6.523 1.00 1.00 ATOM 342 CA ILE 344 24.965 -4.263 5.851 1.00 1.00 ATOM 343 CA PHE 345 28.198 -6.131 5.189 1.00 1.00 ATOM 344 CA GLN 346 31.581 -4.866 4.108 1.00 1.00 ATOM 345 CA PRO 347 34.961 -3.278 4.551 1.00 1.00 ATOM 346 CA HIS 348 38.291 -5.080 4.804 1.00 1.00 ATOM 347 CA ARG 349 37.631 -8.768 5.400 1.00 1.00 ATOM 348 CA TYR 350 41.314 -9.533 6.203 1.00 1.00 ATOM 349 CA SER 351 41.318 -12.548 3.848 1.00 1.00 ATOM 350 CA ARG 352 38.584 -14.298 5.878 1.00 1.00 ATOM 351 CA LEU 353 36.383 -16.983 4.382 1.00 1.00 ATOM 352 CA GLU 354 32.882 -15.448 4.546 1.00 1.00 ATOM 353 CA ARG 355 31.171 -18.769 3.744 1.00 1.00 ATOM 354 CA GLU 356 30.020 -19.526 7.313 1.00 1.00 ATOM 355 CA ASP 357 27.561 -16.631 7.033 1.00 1.00 ATOM 356 CA PHE 360 25.728 -18.140 4.053 1.00 1.00 ATOM 357 CA ALA 361 23.561 -20.437 6.178 1.00 1.00 ATOM 358 CA LYS 362 21.929 -17.435 7.845 1.00 1.00 ATOM 359 CA ALA 363 21.045 -15.727 4.593 1.00 1.00 ATOM 360 CA LEU 364 18.311 -17.971 3.204 1.00 1.00 ATOM 361 CA GLN 365 14.638 -17.182 2.824 1.00 1.00 ATOM 362 CA LEU 366 12.404 -14.407 1.509 1.00 1.00 ATOM 363 CA ALA 367 13.158 -11.985 4.323 1.00 1.00 ATOM 364 CA ASP 368 16.816 -11.061 4.032 1.00 1.00 ATOM 365 CA GLU 369 18.407 -8.350 1.902 1.00 1.00 ATOM 366 CA VAL 370 22.176 -7.748 1.743 1.00 1.00 ATOM 367 CA VAL 371 23.827 -4.370 1.146 1.00 1.00 ATOM 368 CA VAL 372 27.555 -4.889 0.645 1.00 1.00 ATOM 369 CA THR 373 30.251 -2.245 0.404 1.00 1.00 ATOM 370 CA GLU 374 33.903 -1.329 0.853 1.00 1.00 ATOM 371 CA ILE 386 36.993 -3.314 -0.144 1.00 1.00 ATOM 372 CA SER 387 35.361 -6.757 -0.039 1.00 1.00 ATOM 373 CA GLY 388 31.848 -5.776 -1.065 1.00 1.00 ATOM 374 CA ILE 391 31.776 -8.047 -4.117 1.00 1.00 ATOM 375 CA TRP 392 32.942 -11.046 -2.129 1.00 1.00 ATOM 376 CA ASP 393 30.171 -10.417 0.402 1.00 1.00 ATOM 377 CA SER 394 27.448 -9.940 -2.242 1.00 1.00 ATOM 378 CA LEU 395 28.562 -13.266 -3.687 1.00 1.00 ATOM 379 CA LYS 396 27.203 -14.992 -0.561 1.00 1.00 ATOM 380 CA SER 397 23.744 -14.740 -2.092 1.00 1.00 ATOM 381 CA LEU 398 23.770 -12.607 -5.235 1.00 1.00 ATOM 382 CA GLY 399 20.018 -12.756 -5.818 1.00 1.00 ATOM 384 CA VAL 405 22.487 -8.635 -2.692 1.00 1.00 ATOM 385 CA GLU 406 23.260 -5.020 -3.627 1.00 1.00 ATOM 386 CA LYS 407 26.852 -3.740 -3.777 1.00 1.00 ATOM 387 CA LEU 408 27.841 -0.107 -3.366 1.00 1.00 ATOM 388 CA PRO 409 31.151 1.602 -2.761 1.00 1.00 ATOM 389 CA GLU 410 30.394 3.134 0.628 1.00 1.00 ATOM 390 CA LEU 411 28.216 2.466 3.636 1.00 1.00 ATOM 391 CA GLU 412 26.431 5.779 3.115 1.00 1.00 ATOM 392 CA LYS 413 25.446 4.720 -0.428 1.00 1.00 ATOM 393 CA VAL 414 24.202 1.376 0.952 1.00 1.00 ATOM 394 CA ILE 415 22.100 3.139 3.646 1.00 1.00 ATOM 395 CA SER 416 20.494 5.555 1.212 1.00 1.00 ATOM 396 CA VAL 417 19.794 2.555 -1.034 1.00 1.00 ATOM 402 CA SER 418 8.946 -1.342 6.089 1.00 1.00 ATOM 403 CA GLU 419 7.395 -1.533 9.607 1.00 1.00 ATOM 404 CA ASN 420 8.642 -4.696 11.313 1.00 1.00 ATOM 405 CA THR 421 11.951 -4.745 9.422 1.00 1.00 ATOM 406 CA VAL 422 15.399 -4.601 11.028 1.00 1.00 ATOM 407 CA PHE 423 18.406 -2.718 9.705 1.00 1.00 ATOM 408 CA LEU 424 21.603 -4.321 10.994 1.00 1.00 ATOM 409 CA PHE 425 25.170 -3.079 10.578 1.00 1.00 ATOM 410 CA VAL 426 27.170 -6.211 11.394 1.00 1.00 ATOM 411 CA GLY 427 29.773 -5.994 8.722 1.00 1.00 ATOM 412 CA ALA 428 32.044 -9.010 9.454 1.00 1.00 ATOM 413 CA GLY 429 35.044 -6.877 8.368 1.00 1.00 ATOM 414 CA ASP 430 37.518 -4.269 9.634 1.00 1.00 ATOM 415 CA ILE 431 36.520 -0.654 8.873 1.00 1.00 ATOM 416 CA ILE 432 39.990 0.538 8.103 1.00 1.00 ATOM 417 CA TYR 433 39.749 0.600 4.294 1.00 1.00 ATOM 418 CA SER 434 37.260 3.501 4.550 1.00 1.00 ATOM 419 CA SER 435 37.047 4.595 8.201 1.00 1.00 ATOM 420 CA ARG 436 39.350 5.684 11.012 1.00 1.00 ATOM 421 CA ARG 437 38.062 2.782 13.100 1.00 1.00 ATOM 422 CA PHE 438 34.920 0.772 13.854 1.00 1.00 ATOM 423 CA VAL 439 33.678 3.495 16.223 1.00 1.00 ATOM 424 CA GLU 440 33.651 6.014 13.395 1.00 1.00 ATOM 425 CA ARG 441 31.826 3.481 11.219 1.00 1.00 ATOM 426 CA TYR 442 29.242 2.970 13.982 1.00 1.00 ATOM 427 CA GLN 443 28.826 6.715 14.599 1.00 1.00 ATOM 428 CA SER 444 28.236 7.344 10.906 1.00 1.00 ATOM 429 CA SER 445 25.691 4.535 10.759 1.00 1.00 ATOM 430 CA LYS 446 23.854 5.993 13.779 1.00 1.00 ATOM 431 CA SER 447 23.842 9.469 12.188 1.00 1.00 ATOM 432 CA SER 448 22.480 8.081 8.916 1.00 1.00 ATOM 433 CA PRO 449 19.872 5.920 10.719 1.00 1.00 ATOM 434 CA SER 450 18.603 8.971 12.524 1.00 1.00 ATOM 435 CA ARG 451 18.468 10.844 9.224 1.00 1.00 ATOM 436 CA VAL 452 16.772 8.115 7.191 1.00 1.00 TER END ################################ # # # END # # # ################################