From mailer@bialko.llnl.gov Sat Jun 15 15:45:07 2002 Date: Sat, 15 Jun 2002 15:45:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sat Jun 15 15:18:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_303211_10827 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136SS007_1 Current information on models submitted in prediction T0136SS007 MODEL_INDEX PIN CODE DATE E-mail T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 MODEL_INDEX PIN CODE DATE E-mail T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 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: 523 # Number of residues with nonzero confidence: 523 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0136 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-7159.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-31525//target-align-31525.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 91.0829 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-7159.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc76.5746/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Thu Jun 13 14:14:03 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-31525//target-align-31525.a2m METHOD METHOD guide seq name: seed-seqs-7159.a2m(1), 523 bases, 47441CDB checksum. METHOD ###end 0 MODEL 1 A C 0.636 E C 0.642 N C 0.504 N H 0.468 N H 0.522 L H 0.552 K H 0.551 L H 0.547 A H 0.596 S H 0.635 T H 0.625 M H 0.595 E H 0.614 G H 0.607 R H 0.605 V H 0.613 E H 0.676 Q H 0.703 L H 0.718 A H 0.723 E H 0.724 Q H 0.717 R H 0.705 Q H 0.7 V H 0.702 I H 0.695 E H 0.672 A H 0.622 G C 0.495 G C 0.561 G C 0.558 E H 0.433 R H 0.447 R H 0.464 V H 0.476 E H 0.528 K H 0.507 Q H 0.465 H C 0.494 S C 0.468 Q C 0.443 G C 0.456 K C 0.444 Q C 0.433 T C 0.501 A H 0.661 R H 0.713 E H 0.718 R H 0.701 L H 0.697 N H 0.677 N H 0.652 L H 0.587 L H 0.456 D C 0.659 P C 0.614 H C 0.639 S C 0.581 F C 0.397 D H 0.355 E H 0.371 V C 0.403 G C 0.474 A C 0.428 F C 0.416 R H 0.426 K C 0.45 H C 0.492 R C 0.552 T C 0.621 T C 0.471 L C 0.426 F C 0.421 G C 0.475 M C 0.508 D C 0.567 K C 0.567 A C 0.565 V C 0.561 V C 0.607 P C 0.614 A C 0.622 D C 0.56 G E 0.411 V E 0.559 V E 0.63 T E 0.59 G E 0.529 R E 0.49 G E 0.421 T E 0.415 I C 0.491 L C 0.632 G C 0.633 R C 0.45 P E 0.558 V E 0.685 H E 0.719 A E 0.72 A E 0.674 S E 0.573 Q E 0.445 D C 0.434 F E 0.451 T E 0.525 V E 0.552 M E 0.477 G C 0.445 G C 0.564 S C 0.571 A C 0.514 G C 0.542 E C 0.45 T H 0.473 Q H 0.556 S H 0.641 T H 0.709 K H 0.719 V H 0.732 V H 0.742 E H 0.755 T H 0.76 M H 0.759 E H 0.767 Q H 0.765 A H 0.744 L H 0.719 L H 0.679 T H 0.553 G C 0.686 T C 0.734 P C 0.676 F E 0.65 L E 0.708 F E 0.697 F E 0.652 Y E 0.468 D C 0.541 S C 0.632 G C 0.662 G C 0.622 A C 0.53 R C 0.468 I C 0.415 Q H 0.472 E H 0.551 G H 0.534 I H 0.605 D H 0.618 S H 0.632 L H 0.685 S H 0.687 G H 0.688 Y H 0.676 G H 0.681 K H 0.685 M H 0.682 F H 0.687 F H 0.689 A H 0.682 N H 0.687 V H 0.679 K H 0.664 L H 0.631 S H 0.516 G C 0.527 V C 0.643 V C 0.571 P C 0.425 Q E 0.672 I E 0.71 A E 0.713 I E 0.716 I E 0.632 A C 0.439 G C 0.659 P C 0.636 C C 0.579 A C 0.511 G C 0.516 G H 0.426 A H 0.465 S H 0.509 Y H 0.503 S H 0.495 P H 0.503 A H 0.456 L C 0.424 T C 0.559 D C 0.511 F E 0.518 I E 0.607 I E 0.627 M E 0.562 T E 0.39 K C 0.584 K C 0.592 A C 0.548 H C 0.456 M E 0.597 F E 0.596 I E 0.518 T C 0.488 G C 0.703 P C 0.469 Q H 0.544 V H 0.577 I H 0.6 K H 0.62 S H 0.617 V H 0.599 T H 0.554 G C 0.607 E C 0.566 D C 0.453 V C 0.499 T C 0.586 A H 0.442 D H 0.507 E H 0.543 L H 0.476 G C 0.669 G C 0.587 A H 0.526 E H 0.59 A H 0.608 H H 0.605 M H 0.599 A H 0.585 I H 0.596 S H 0.434 G C 0.635 N C 0.54 I C 0.43 H C 0.393 F E 0.436 V E 0.442 A C 0.392 E C 0.503 D C 0.51 D H 0.592 D H 0.713 A H 0.732 A H 0.736 E H 0.751 L H 0.758 I H 0.756 A H 0.76 K H 0.763 K H 0.755 L H 0.737 L H 0.709 S H 0.639 F H 0.593 L C 0.501 P C 0.569 Q C 0.525 N C 0.551 N C 0.586 T C 0.635 E C 0.643 E C 0.637 A C 0.65 S C 0.636 F C 0.57 V C 0.566 N C 0.637 P C 0.664 N C 0.669 N C 0.699 D C 0.661 V C 0.613 S C 0.615 P C 0.569 N C 0.437 T H 0.476 E H 0.446 L H 0.405 R C 0.347 D C 0.353 I E 0.376 V C 0.411 P C 0.548 I C 0.617 D C 0.682 G C 0.702 K C 0.7 K C 0.688 G C 0.661 Y C 0.582 D C 0.589 V H 0.636 R H 0.671 D H 0.678 V H 0.663 I H 0.651 A H 0.616 K H 0.571 I H 0.456 V H 0.396 D C 0.541 W H 0.496 G H 0.52 D H 0.529 Y H 0.583 L H 0.563 E H 0.542 V H 0.515 K H 0.452 A H 0.445 G C 0.494 Y C 0.533 A C 0.566 T C 0.508 N C 0.361 L E 0.488 V E 0.559 T E 0.529 A E 0.472 F E 0.467 A E 0.456 R E 0.448 V E 0.373 N C 0.624 G C 0.674 R C 0.521 S E 0.487 V E 0.627 G E 0.672 I E 0.707 V E 0.669 A E 0.512 N C 0.467 Q C 0.542 P C 0.489 S C 0.39 V C 0.385 M C 0.429 S C 0.519 G C 0.548 C C 0.529 L C 0.553 D C 0.628 I C 0.447 N H 0.545 A H 0.609 S H 0.676 D H 0.718 K H 0.741 A H 0.751 A H 0.765 E H 0.762 F H 0.756 V H 0.748 N H 0.738 F H 0.726 C H 0.698 D H 0.664 S H 0.653 F H 0.511 N C 0.686 I C 0.707 P C 0.641 L E 0.689 V E 0.723 Q E 0.718 L E 0.696 V E 0.579 D C 0.492 V C 0.605 P C 0.631 G C 0.621 F C 0.611 L C 0.607 P C 0.632 G C 0.672 V C 0.492 Q H 0.498 Q H 0.62 E H 0.643 Y H 0.688 G H 0.661 G H 0.624 I H 0.677 I H 0.709 R H 0.741 H H 0.723 G H 0.707 A H 0.716 K H 0.713 M H 0.699 L H 0.703 Y H 0.7 A H 0.696 Y H 0.678 S H 0.643 E H 0.597 A C 0.539 T C 0.652 V C 0.689 P C 0.605 K E 0.626 I E 0.692 T E 0.721 V E 0.722 V E 0.614 L C 0.418 R C 0.554 K C 0.539 A C 0.522 Y C 0.546 G C 0.595 G H 0.453 S H 0.491 Y H 0.519 L H 0.494 A H 0.438 M E 0.443 C C 0.405 N C 0.469 R C 0.484 D C 0.507 L C 0.591 G C 0.626 A C 0.569 D C 0.485 A E 0.407 V E 0.498 Y E 0.53 A E 0.471 W C 0.438 P C 0.526 S C 0.522 A C 0.439 E E 0.402 I E 0.499 A E 0.521 V E 0.52 M E 0.432 G C 0.634 A H 0.554 E H 0.634 G H 0.633 A H 0.6 A H 0.584 N H 0.573 V H 0.578 I H 0.545 F H 0.512 R H 0.452 K C 0.501 E H 0.52 I H 0.583 K H 0.616 A H 0.612 A H 0.626 D H 0.628 D H 0.62 P H 0.725 D H 0.738 A H 0.753 M H 0.726 R H 0.706 A H 0.745 E H 0.742 K H 0.747 I H 0.76 E H 0.775 E H 0.777 Y H 0.768 Q H 0.747 N H 0.723 A H 0.682 F H 0.506 N C 0.53 T C 0.597 P H 0.663 Y H 0.686 V H 0.694 A H 0.693 A H 0.69 A H 0.685 R H 0.619 G C 0.584 Q C 0.542 V C 0.474 D C 0.528 D C 0.449 V E 0.382 I C 0.383 D C 0.571 P H 0.56 A H 0.607 D H 0.628 T H 0.586 R H 0.648 R H 0.681 K H 0.695 I H 0.697 A H 0.726 S H 0.747 A H 0.753 L H 0.76 E H 0.771 M H 0.771 Y H 0.756 A H 0.73 T H 0.678 K H 0.622 R H 0.575 Q H 0.573 T H 0.539 R H 0.478 P H 0.446 A H 0.504 K H 0.51 K H 0.454 H C 0.491 G C 0.604 N C 0.627 F C 0.646 P C 0.68 C C 0.87 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:25:08 2002 Date: Wed, 24 Jul 2002 15:25:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 14:57:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_690235_13881 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS007_2 Current information on models submitted in prediction T0136TS007 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 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 T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 casp5@bialko.llnl.gov T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1HNU_A # Loading PARENT structure: 1hnu (chain: A) # Number of residues in PARENT structure: 248 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue I 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue P 177 # IMPORTANT NOTE! Not complete main chain atoms for residue C 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue A 182 # IMPORTANT NOTE! Not complete main chain atoms for residue S 183 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue I 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 40 # Total number of atoms in model: 40 # Number of atoms with 1.0 occupancy: 40 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 40 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1HNU_A ATOM 113 CA VAL 168 37.655 43.419 16.625 1.00 1.00 ATOM 114 CA PRO 169 39.273 42.267 13.341 1.00 1.00 ATOM 115 CA GLN 170 41.407 45.167 12.115 1.00 1.00 ATOM 116 CA ILE 171 41.666 45.563 8.339 1.00 1.00 ATOM 117 CA ALA 172 43.775 48.097 6.560 1.00 1.00 ATOM 118 CA ILE 173 42.918 49.175 2.999 1.00 1.00 ATOM 119 CA ILE 174 46.278 50.453 1.842 1.00 1.00 ATOM 120 CA ALA 175 45.520 52.921 -1.001 1.00 1.00 ATOM 121 CA GLY 176 49.175 54.035 -1.202 1.00 1.00 ATOM 122 CA PRO 177 52.352 54.354 0.876 1.00 1.00 ATOM 123 CA CYS 178 52.372 54.723 4.665 1.00 1.00 ATOM 124 CA ALA 179 55.364 56.283 6.493 1.00 1.00 ATOM 125 CA GLY 180 56.352 56.428 10.202 1.00 1.00 ATOM 126 CA GLY 181 53.820 55.938 12.943 1.00 1.00 ATOM 127 CA ALA 182 51.063 55.423 10.422 1.00 1.00 ATOM 128 CA SER 183 53.177 52.667 8.770 1.00 1.00 ATOM 129 CA TYR 184 53.581 51.229 12.298 1.00 1.00 ATOM 130 CA SER 185 49.803 51.054 12.682 1.00 1.00 ATOM 131 CA PRO 186 49.380 49.359 9.269 1.00 1.00 ATOM 132 CA ALA 187 51.759 46.641 10.620 1.00 1.00 ATOM 133 CA LEU 188 49.436 46.169 13.682 1.00 1.00 ATOM 134 CA THR 189 46.348 45.463 11.570 1.00 1.00 ATOM 135 CA ASP 190 45.274 41.846 11.243 1.00 1.00 ATOM 136 CA PHE 191 44.715 41.901 7.454 1.00 1.00 ATOM 137 CA ILE 192 45.944 44.296 4.771 1.00 1.00 ATOM 138 CA ILE 193 44.673 44.844 1.207 1.00 1.00 ATOM 139 CA MET 194 46.684 46.849 -1.327 1.00 1.00 ATOM 141 CA THR 195 48.303 48.297 -6.440 1.00 1.00 ATOM 142 CA LYS 196 52.019 47.314 -6.491 1.00 1.00 ATOM 143 CA LYS 197 53.296 50.786 -5.824 1.00 1.00 ATOM 144 CA ALA 198 52.403 50.693 -2.091 1.00 1.00 ATOM 145 CA HIS 199 55.342 50.627 0.353 1.00 1.00 ATOM 146 CA MET 200 55.882 51.025 4.097 1.00 1.00 ATOM 147 CA PHE 201 58.721 53.281 5.275 1.00 1.00 ATOM 148 CA ILE 202 60.095 53.553 8.826 1.00 1.00 ATOM 149 CA THR 203 62.734 56.320 8.670 1.00 1.00 ATOM 150 CA GLY 204 63.767 56.107 12.314 1.00 1.00 ATOM 151 CA PRO 205 67.481 56.102 11.526 1.00 1.00 ATOM 152 CA GLN 206 67.061 59.307 9.452 1.00 1.00 ATOM 153 CA VAL 207 65.231 61.130 12.271 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:26:08 2002 Date: Wed, 24 Jul 2002 15:26:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 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 Jul 24 14:58:28 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_708180_13885 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS007_1 Current information on models submitted in prediction T0136TS007 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 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 T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 casp5@bialko.llnl.gov T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1HNO_A # Loading PARENT structure: 1hno (chain: A) # Number of residues in PARENT structure: 248 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # IMPORTANT NOTE! Not complete main chain atoms for residue N 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue K 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue R 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue N 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue H 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue R 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue T 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue M 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue I 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue D 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 156 # IMPORTANT NOTE! Not complete main chain atoms for residue M 157 # IMPORTANT NOTE! Not complete main chain atoms for residue F 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue N 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue P 177 # IMPORTANT NOTE! Not complete main chain atoms for residue C 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue A 182 # IMPORTANT NOTE! Not complete main chain atoms for residue S 183 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue I 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue G 222 # IMPORTANT NOTE! Not complete main chain atoms for residue G 223 # IMPORTANT NOTE! Not complete main chain atoms for residue A 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue M 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue S 231 # IMPORTANT NOTE! Not complete main chain atoms for residue G 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue F 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue D 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue D 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue A 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue K 250 # IMPORTANT NOTE! Not complete main chain atoms for residue L 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue S 253 # IMPORTANT NOTE! Not complete main chain atoms for residue F 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue P 256 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 163 # Total number of atoms in model: 163 # Number of atoms with 1.0 occupancy: 163 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 163 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1HNO_A ATOM 8 CA ALA 1 37.535 65.913 13.496 1.00 1.00 ATOM 9 CA GLU 2 37.619 67.201 9.904 1.00 1.00 ATOM 10 CA ASN 3 40.330 64.845 8.668 1.00 1.00 ATOM 11 CA ASN 4 38.803 61.568 9.839 1.00 1.00 ATOM 12 CA ASN 5 35.295 60.201 9.556 1.00 1.00 ATOM 13 CA LEU 6 33.608 56.995 10.538 1.00 1.00 ATOM 14 CA LYS 7 30.354 55.136 9.939 1.00 1.00 ATOM 15 CA LEU 8 28.926 51.709 10.781 1.00 1.00 ATOM 20 CA ALA 46 32.820 49.942 11.728 1.00 1.00 ATOM 21 CA ARG 47 34.470 51.963 8.933 1.00 1.00 ATOM 22 CA GLU 48 37.087 54.629 9.651 1.00 1.00 ATOM 23 CA ARG 49 38.246 56.840 6.745 1.00 1.00 ATOM 24 CA LEU 50 41.186 59.260 6.365 1.00 1.00 ATOM 25 CA ASN 51 39.793 62.058 4.233 1.00 1.00 ATOM 31 CA ASN 52 46.666 62.320 5.132 1.00 1.00 ATOM 32 CA LEU 53 49.517 63.627 7.309 1.00 1.00 ATOM 33 CA LEU 54 48.259 63.299 10.876 1.00 1.00 ATOM 34 CA ASP 55 48.875 65.347 13.990 1.00 1.00 ATOM 35 CA PRO 56 48.945 64.163 17.582 1.00 1.00 ATOM 36 CA HIS 57 45.265 64.901 18.118 1.00 1.00 ATOM 37 CA SER 58 44.443 62.934 14.926 1.00 1.00 ATOM 38 CA PHE 59 46.191 59.876 16.404 1.00 1.00 ATOM 39 CA ASP 60 44.279 60.429 19.661 1.00 1.00 ATOM 40 CA GLU 61 41.044 60.618 17.663 1.00 1.00 ATOM 41 CA VAL 62 41.909 57.406 15.767 1.00 1.00 ATOM 42 CA GLY 63 42.454 55.775 19.158 1.00 1.00 ATOM 43 CA ALA 64 39.030 56.951 20.366 1.00 1.00 ATOM 44 CA PHE 65 37.321 55.597 17.267 1.00 1.00 ATOM 45 CA ARG 66 38.876 52.189 18.009 1.00 1.00 ATOM 46 CA LYS 67 37.441 52.428 21.547 1.00 1.00 ATOM 47 CA HIS 68 33.984 53.191 20.094 1.00 1.00 ATOM 48 CA ARG 69 34.303 50.246 17.705 1.00 1.00 ATOM 49 CA THR 70 35.611 47.952 20.459 1.00 1.00 ATOM 50 CA THR 71 32.631 48.641 22.705 1.00 1.00 ATOM 51 CA LEU 72 29.936 48.336 20.003 1.00 1.00 ATOM 52 CA PHE 73 28.571 44.790 20.357 1.00 1.00 ATOM 53 CA GLY 74 27.248 44.879 16.775 1.00 1.00 ATOM 54 CA MET 75 30.640 45.585 15.273 1.00 1.00 ATOM 55 CA ASP 76 32.896 42.648 14.342 1.00 1.00 ATOM 56 CA LYS 77 35.369 44.288 11.940 1.00 1.00 ATOM 57 CA ALA 78 37.027 47.729 11.971 1.00 1.00 ATOM 58 CA VAL 79 38.127 48.806 8.456 1.00 1.00 ATOM 59 CA VAL 80 40.717 51.559 8.130 1.00 1.00 ATOM 60 CA PRO 81 40.408 53.296 4.780 1.00 1.00 ATOM 61 CA ALA 82 42.142 56.368 3.383 1.00 1.00 ATOM 62 CA ASP 83 41.943 58.613 0.305 1.00 1.00 ATOM 63 CA GLY 84 44.027 59.979 -2.540 1.00 1.00 ATOM 64 CA VAL 85 47.434 58.686 -3.482 1.00 1.00 ATOM 65 CA VAL 86 48.909 58.048 -0.054 1.00 1.00 ATOM 66 CA THR 87 47.470 56.036 2.858 1.00 1.00 ATOM 67 CA GLY 88 49.336 58.437 5.088 1.00 1.00 ATOM 68 CA ARG 89 52.614 60.382 5.091 1.00 1.00 ATOM 69 CA GLY 90 52.831 59.974 8.888 1.00 1.00 ATOM 70 CA THR 91 53.278 62.646 11.565 1.00 1.00 ATOM 71 CA ILE 92 52.493 66.164 10.329 1.00 1.00 ATOM 72 CA LEU 93 55.038 68.650 11.776 1.00 1.00 ATOM 73 CA GLY 94 53.644 72.231 11.664 1.00 1.00 ATOM 89 CA ALA 142 61.455 74.289 26.952 1.00 1.00 ATOM 90 CA ARG 143 57.935 74.528 25.595 1.00 1.00 ATOM 91 CA ILE 144 59.757 72.130 23.275 1.00 1.00 ATOM 92 CA GLN 145 59.205 69.608 26.038 1.00 1.00 ATOM 93 CA GLU 146 56.230 69.171 23.622 1.00 1.00 ATOM 94 CA GLY 147 57.831 65.769 22.957 1.00 1.00 ATOM 95 CA ILE 148 55.877 64.448 25.978 1.00 1.00 ATOM 96 CA ASP 149 52.655 64.980 24.059 1.00 1.00 ATOM 97 CA SER 150 54.285 63.355 21.057 1.00 1.00 ATOM 98 CA LEU 151 55.255 60.289 23.058 1.00 1.00 ATOM 99 CA SER 152 51.894 60.170 24.834 1.00 1.00 ATOM 100 CA GLY 153 50.069 60.190 21.529 1.00 1.00 ATOM 101 CA TYR 154 52.211 57.427 20.053 1.00 1.00 ATOM 102 CA GLY 155 51.773 55.155 23.143 1.00 1.00 ATOM 103 CA LYS 156 48.051 55.825 23.285 1.00 1.00 ATOM 104 CA MET 157 47.097 54.966 19.702 1.00 1.00 ATOM 105 CA PHE 158 49.603 52.062 19.541 1.00 1.00 ATOM 106 CA PHE 159 47.988 50.645 22.667 1.00 1.00 ATOM 107 CA ALA 160 44.520 51.013 21.135 1.00 1.00 ATOM 108 CA ASN 161 45.624 49.051 18.074 1.00 1.00 ATOM 109 CA VAL 162 47.339 46.413 20.200 1.00 1.00 ATOM 110 CA LYS 163 44.349 45.638 22.470 1.00 1.00 ATOM 111 CA LEU 164 41.499 45.986 19.964 1.00 1.00 ATOM 112 CA SER 165 39.272 42.924 19.970 1.00 1.00 ATOM 113 CA GLY 166 37.554 43.380 16.579 1.00 1.00 ATOM 114 CA VAL 167 39.128 42.269 13.296 1.00 1.00 ATOM 115 CA VAL 168 41.363 45.132 12.081 1.00 1.00 ATOM 116 CA ILE 171 41.503 45.370 8.281 1.00 1.00 ATOM 117 CA ALA 172 43.656 47.982 6.521 1.00 1.00 ATOM 118 CA ILE 173 42.833 49.168 3.017 1.00 1.00 ATOM 119 CA ILE 174 46.256 50.266 1.780 1.00 1.00 ATOM 120 CA ALA 175 45.458 52.845 -0.917 1.00 1.00 ATOM 121 CA GLY 176 49.117 53.901 -1.221 1.00 1.00 ATOM 122 CA PRO 177 52.272 54.384 0.847 1.00 1.00 ATOM 123 CA CYS 178 52.300 54.739 4.638 1.00 1.00 ATOM 124 CA ALA 179 55.203 56.336 6.492 1.00 1.00 ATOM 125 CA GLY 180 56.152 56.618 10.194 1.00 1.00 ATOM 126 CA GLY 181 53.659 56.000 12.949 1.00 1.00 ATOM 127 CA ALA 182 50.897 55.370 10.375 1.00 1.00 ATOM 128 CA SER 183 53.073 52.701 8.727 1.00 1.00 ATOM 129 CA TYR 184 53.398 51.250 12.226 1.00 1.00 ATOM 130 CA SER 185 49.593 51.045 12.565 1.00 1.00 ATOM 131 CA PRO 186 49.257 49.352 9.186 1.00 1.00 ATOM 132 CA ALA 187 51.644 46.642 10.561 1.00 1.00 ATOM 133 CA LEU 188 49.326 46.111 13.604 1.00 1.00 ATOM 134 CA THR 189 46.265 45.441 11.464 1.00 1.00 ATOM 135 CA ASP 190 45.184 41.806 11.166 1.00 1.00 ATOM 136 CA PHE 191 44.515 41.910 7.408 1.00 1.00 ATOM 137 CA ILE 192 45.849 44.240 4.743 1.00 1.00 ATOM 138 CA ILE 193 44.659 44.811 1.163 1.00 1.00 ATOM 139 CA MET 194 46.531 46.828 -1.441 1.00 1.00 ATOM 140 CA THR 195 45.173 49.039 -4.226 1.00 1.00 ATOM 142 CA LYS 196 51.874 47.267 -6.531 1.00 1.00 ATOM 143 CA LYS 197 53.251 50.752 -5.845 1.00 1.00 ATOM 144 CA ALA 198 52.335 50.688 -2.122 1.00 1.00 ATOM 145 CA HIS 199 55.228 50.631 0.350 1.00 1.00 ATOM 146 CA MET 200 55.839 51.044 4.075 1.00 1.00 ATOM 147 CA PHE 201 58.666 53.340 5.244 1.00 1.00 ATOM 148 CA ILE 202 60.081 53.520 8.776 1.00 1.00 ATOM 149 CA THR 203 62.558 56.417 8.686 1.00 1.00 ATOM 150 CA GLY 213 63.623 56.146 12.308 1.00 1.00 ATOM 151 CA GLU 214 67.361 56.177 11.536 1.00 1.00 ATOM 152 CA ASP 215 67.013 59.366 9.442 1.00 1.00 ATOM 153 CA VAL 216 65.174 61.137 12.285 1.00 1.00 ATOM 154 CA THR 217 67.698 60.185 15.024 1.00 1.00 ATOM 155 CA ALA 218 64.988 58.041 16.662 1.00 1.00 ATOM 156 CA ASP 219 64.278 54.330 17.262 1.00 1.00 ATOM 157 CA GLU 220 61.487 51.854 16.615 1.00 1.00 ATOM 158 CA LEU 221 57.993 52.913 17.601 1.00 1.00 ATOM 159 CA GLY 222 54.334 51.891 17.395 1.00 1.00 ATOM 160 CA GLY 223 55.246 48.324 18.312 1.00 1.00 ATOM 161 CA ALA 224 57.407 47.868 15.188 1.00 1.00 ATOM 162 CA GLU 225 60.118 46.225 17.373 1.00 1.00 ATOM 163 CA ALA 226 57.817 43.187 17.352 1.00 1.00 ATOM 164 CA HIS 227 55.544 43.656 14.300 1.00 1.00 ATOM 165 CA MET 228 58.218 43.994 11.569 1.00 1.00 ATOM 166 CA ALA 229 60.281 40.821 12.416 1.00 1.00 ATOM 167 CA ILE 230 57.002 38.955 12.932 1.00 1.00 ATOM 168 CA SER 231 55.480 39.916 9.625 1.00 1.00 ATOM 169 CA GLY 232 58.562 40.459 7.425 1.00 1.00 ATOM 170 CA ASN 233 61.276 38.312 9.003 1.00 1.00 ATOM 171 CA ILE 234 64.221 39.522 11.048 1.00 1.00 ATOM 172 CA HIS 235 66.923 39.890 8.325 1.00 1.00 ATOM 173 CA PHE 236 64.624 41.840 5.964 1.00 1.00 ATOM 174 CA VAL 237 63.711 43.959 8.964 1.00 1.00 ATOM 175 CA ALA 238 67.348 44.916 9.684 1.00 1.00 ATOM 176 CA GLU 239 67.963 45.792 6.064 1.00 1.00 ATOM 224 CA ASP 240 29.560 32.788 8.938 1.00 1.00 ATOM 225 CA ASP 241 29.053 32.881 12.666 1.00 1.00 ATOM 226 CA ASP 242 30.638 36.278 13.396 1.00 1.00 ATOM 227 CA ALA 243 31.267 35.849 17.150 1.00 1.00 ATOM 228 CA ALA 244 33.506 32.968 15.961 1.00 1.00 ATOM 229 CA GLU 245 35.758 35.580 14.259 1.00 1.00 ATOM 230 CA LEU 246 36.150 37.293 17.629 1.00 1.00 ATOM 231 CA ILE 247 36.876 34.094 19.542 1.00 1.00 ATOM 232 CA ALA 248 39.644 33.101 17.128 1.00 1.00 ATOM 233 CA LYS 249 41.164 36.611 17.266 1.00 1.00 ATOM 234 CA LYS 250 41.222 36.587 21.039 1.00 1.00 ATOM 235 CA LEU 251 43.045 33.243 21.060 1.00 1.00 ATOM 236 CA LEU 252 45.352 34.433 18.222 1.00 1.00 ATOM 237 CA SER 253 46.291 37.793 19.857 1.00 1.00 ATOM 238 CA PHE 254 47.388 36.021 23.074 1.00 1.00 ATOM 239 CA LEU 255 50.418 34.521 21.299 1.00 1.00 ATOM 240 CA PRO 256 52.133 37.972 21.260 1.00 1.00 ATOM 241 CA GLN 257 50.091 40.280 23.486 1.00 1.00 ATOM 242 CA ASN 258 52.825 40.482 26.168 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:26:29 2002 Date: Wed, 24 Jul 2002 15:26:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 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 Jul 24 14:59:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_709141_13887 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS007_5 Current information on models submitted in prediction T0136TS007 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_5 PIN_709141_13887 6269-7633-6117 07/24/02 14:59:20 casp5@bialko.llnl.gov T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 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 T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 casp5@bialko.llnl.gov T0136TS007_5 PIN_709141_13887 6269-7633-6117 07/24/02 14:59:20 casp5@bialko.llnl.gov T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1HZD_A # Loading PARENT structure: 1hzd (chain: A) # Number of residues in PARENT structure: 266 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue I 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue P 177 # IMPORTANT NOTE! Not complete main chain atoms for residue C 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue A 182 # IMPORTANT NOTE! Not complete main chain atoms for residue S 183 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue I 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 40 # Total number of atoms in model: 40 # Number of atoms with 1.0 occupancy: 40 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 40 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1HZD_A ATOM 173 CA VAL 168 38.223 -7.835 16.310 1.00 1.00 ATOM 174 CA PRO 169 37.302 -10.746 18.618 1.00 1.00 ATOM 175 CA GLN 170 38.129 -10.079 22.265 1.00 1.00 ATOM 176 CA ILE 171 38.799 -12.673 24.966 1.00 1.00 ATOM 177 CA ALA 172 39.048 -12.015 28.706 1.00 1.00 ATOM 178 CA ILE 173 41.455 -14.409 30.486 1.00 1.00 ATOM 179 CA ILE 174 40.505 -14.491 34.162 1.00 1.00 ATOM 180 CA ALA 175 43.177 -16.322 36.186 1.00 1.00 ATOM 181 CA GLY 176 42.193 -14.479 39.352 1.00 1.00 ATOM 182 CA PRO 177 39.967 -12.103 41.313 1.00 1.00 ATOM 183 CA CYS 178 37.743 -9.999 39.023 1.00 1.00 ATOM 184 CA ALA 179 35.437 -7.584 40.892 1.00 1.00 ATOM 185 CA GLY 180 33.330 -4.621 39.794 1.00 1.00 ATOM 186 CA GLY 181 35.093 -2.803 36.977 1.00 1.00 ATOM 187 CA ALA 182 37.234 -5.911 36.663 1.00 1.00 ATOM 188 CA SER 183 34.332 -8.201 35.760 1.00 1.00 ATOM 189 CA TYR 184 32.684 -5.351 33.839 1.00 1.00 ATOM 190 CA SER 185 35.791 -5.090 31.698 1.00 1.00 ATOM 191 CA PRO 186 35.583 -8.851 31.157 1.00 1.00 ATOM 192 CA ALA 187 31.876 -8.482 30.337 1.00 1.00 ATOM 193 CA LEU 188 32.974 -6.045 27.626 1.00 1.00 ATOM 194 CA THR 189 34.968 -8.811 25.947 1.00 1.00 ATOM 195 CA ASP 190 33.233 -11.070 23.419 1.00 1.00 ATOM 196 CA PHE 191 34.305 -14.194 25.283 1.00 1.00 ATOM 197 CA ILE 192 35.331 -14.972 28.861 1.00 1.00 ATOM 198 CA ILE 193 37.404 -17.939 30.053 1.00 1.00 ATOM 199 CA MET 194 38.527 -18.443 33.646 1.00 1.00 ATOM 200 CA THR 195 40.262 -20.785 36.086 1.00 1.00 ATOM 201 CA LYS 196 37.967 -22.682 38.416 1.00 1.00 ATOM 202 CA LYS 197 39.757 -21.033 41.336 1.00 1.00 ATOM 203 CA ALA 198 39.143 -17.524 39.991 1.00 1.00 ATOM 204 CA HIS 199 36.555 -15.446 41.839 1.00 1.00 ATOM 205 CA MET 200 34.317 -12.797 40.289 1.00 1.00 ATOM 206 CA PHE 201 31.278 -10.693 41.048 1.00 1.00 ATOM 207 CA ILE 202 29.711 -7.260 41.420 1.00 1.00 ATOM 208 CA THR 203 29.624 -6.270 45.076 1.00 1.00 ATOM 209 CA GLY 204 28.661 -2.614 44.635 1.00 1.00 ATOM 210 CA PRO 205 25.381 -2.880 46.510 1.00 1.00 ATOM 211 CA GLN 206 27.228 -3.803 49.725 1.00 1.00 ATOM 212 CA VAL 207 28.873 -0.376 49.413 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:28:18 2002 Date: Wed, 24 Jul 2002 15:28:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 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 Jul 24 15:00:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_130993_13893 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS007_3 Current information on models submitted in prediction T0136TS007 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_3 PIN_130993_13893 6269-7633-6117 07/24/02 15:00:48 casp5@bialko.llnl.gov T0136TS007_5 PIN_709141_13887 6269-7633-6117 07/24/02 14:59:20 casp5@bialko.llnl.gov T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 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 T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 casp5@bialko.llnl.gov T0136TS007_3 PIN_130993_13893 6269-7633-6117 07/24/02 15:00:48 casp5@bialko.llnl.gov T0136TS007_5 PIN_709141_13887 6269-7633-6117 07/24/02 14:59:20 casp5@bialko.llnl.gov T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1NZY_A # Loading PARENT structure: 1nzy (chain: A) # Number of residues in PARENT structure: 269 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 F 320 # IMPORTANT NOTE! Not complete main chain atoms for residue A 321 # IMPORTANT NOTE! Not complete main chain atoms for residue R 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue N 324 # IMPORTANT NOTE! Not complete main chain atoms for residue G 325 # IMPORTANT NOTE! Not complete main chain atoms for residue R 326 # IMPORTANT NOTE! Not complete main chain atoms for residue S 327 # IMPORTANT NOTE! Not complete main chain atoms for residue G 329 # IMPORTANT NOTE! Not complete main chain atoms for residue I 330 # IMPORTANT NOTE! Not complete main chain atoms for residue V 331 # IMPORTANT NOTE! Not complete main chain atoms for residue A 332 # IMPORTANT NOTE! Not complete main chain atoms for residue N 333 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 334 # IMPORTANT NOTE! Not complete main chain atoms for residue P 335 # IMPORTANT NOTE! Not complete main chain atoms for residue S 336 # IMPORTANT NOTE! Not complete main chain atoms for residue V 337 # IMPORTANT NOTE! Not complete main chain atoms for residue M 338 # IMPORTANT NOTE! Not complete main chain atoms for residue S 339 # IMPORTANT NOTE! Not complete main chain atoms for residue G 340 # IMPORTANT NOTE! Not complete main chain atoms for residue C 341 # IMPORTANT NOTE! Not complete main chain atoms for residue L 342 # IMPORTANT NOTE! Not complete main chain atoms for residue D 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue N 345 # IMPORTANT NOTE! Not complete main chain atoms for residue A 346 # IMPORTANT NOTE! Not complete main chain atoms for residue S 347 # IMPORTANT NOTE! Not complete main chain atoms for residue D 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue A 350 # IMPORTANT NOTE! Not complete main chain atoms for residue A 351 # IMPORTANT NOTE! Not complete main chain atoms for residue E 352 # IMPORTANT NOTE! Not complete main chain atoms for residue F 353 # IMPORTANT NOTE! Not complete main chain atoms for residue V 354 # IMPORTANT NOTE! Not complete main chain atoms for residue N 355 # IMPORTANT NOTE! Not complete main chain atoms for residue F 356 # IMPORTANT NOTE! Not complete main chain atoms for residue C 357 # IMPORTANT NOTE! Not complete main chain atoms for residue D 358 # IMPORTANT NOTE! Not complete main chain atoms for residue S 359 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue N 361 # IMPORTANT NOTE! Not complete main chain atoms for residue I 362 # IMPORTANT NOTE! Not complete main chain atoms for residue P 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue V 365 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 366 # IMPORTANT NOTE! Not complete main chain atoms for residue L 367 # IMPORTANT NOTE! Not complete main chain atoms for residue V 368 # IMPORTANT NOTE! Not complete main chain atoms for residue D 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue P 371 # IMPORTANT NOTE! Not complete main chain atoms for residue G 372 # IMPORTANT NOTE! Not complete main chain atoms for residue F 373 # IMPORTANT NOTE! Not complete main chain atoms for residue L 374 # IMPORTANT NOTE! Not complete main chain atoms for residue P 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # IMPORTANT NOTE! Not complete main chain atoms for residue V 377 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 378 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 379 # IMPORTANT NOTE! Not complete main chain atoms for residue E 380 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 381 # IMPORTANT NOTE! Not complete main chain atoms for residue G 382 # IMPORTANT NOTE! Not complete main chain atoms for residue G 383 # IMPORTANT NOTE! Not complete main chain atoms for residue I 384 # IMPORTANT NOTE! Not complete main chain atoms for residue I 385 # IMPORTANT NOTE! Not complete main chain atoms for residue R 386 # IMPORTANT NOTE! Not complete main chain atoms for residue H 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue A 389 # IMPORTANT NOTE! Not complete main chain atoms for residue K 390 # IMPORTANT NOTE! Not complete main chain atoms for residue M 391 # IMPORTANT NOTE! Not complete main chain atoms for residue L 392 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 393 # IMPORTANT NOTE! Not complete main chain atoms for residue A 394 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 395 # IMPORTANT NOTE! Not complete main chain atoms for residue S 396 # IMPORTANT NOTE! Not complete main chain atoms for residue E 397 # IMPORTANT NOTE! Not complete main chain atoms for residue A 398 # IMPORTANT NOTE! Not complete main chain atoms for residue T 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 400 # IMPORTANT NOTE! Not complete main chain atoms for residue P 401 # IMPORTANT NOTE! Not complete main chain atoms for residue K 402 # IMPORTANT NOTE! Not complete main chain atoms for residue I 403 # IMPORTANT NOTE! Not complete main chain atoms for residue T 404 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue V 406 # IMPORTANT NOTE! Not complete main chain atoms for residue L 407 # IMPORTANT NOTE! Not complete main chain atoms for residue R 408 # IMPORTANT NOTE! Not complete main chain atoms for residue K 409 # IMPORTANT NOTE! Not complete main chain atoms for residue A 410 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 411 # IMPORTANT NOTE! Not complete main chain atoms for residue G 412 # IMPORTANT NOTE! Not complete main chain atoms for residue G 413 # IMPORTANT NOTE! Not complete main chain atoms for residue S 414 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 415 # IMPORTANT NOTE! Not complete main chain atoms for residue L 416 # IMPORTANT NOTE! Not complete main chain atoms for residue A 417 # IMPORTANT NOTE! Not complete main chain atoms for residue M 418 # IMPORTANT NOTE! Not complete main chain atoms for residue C 419 # IMPORTANT NOTE! Not complete main chain atoms for residue D 426 # IMPORTANT NOTE! Not complete main chain atoms for residue A 427 # IMPORTANT NOTE! Not complete main chain atoms for residue V 428 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 429 # IMPORTANT NOTE! Not complete main chain atoms for residue A 430 # IMPORTANT NOTE! Not complete main chain atoms for residue W 431 # IMPORTANT NOTE! Not complete main chain atoms for residue P 432 # IMPORTANT NOTE! Not complete main chain atoms for residue S 433 # IMPORTANT NOTE! Not complete main chain atoms for residue A 434 # IMPORTANT NOTE! Not complete main chain atoms for residue E 435 # IMPORTANT NOTE! Not complete main chain atoms for residue I 436 # IMPORTANT NOTE! Not complete main chain atoms for residue A 437 # IMPORTANT NOTE! Not complete main chain atoms for residue V 438 # IMPORTANT NOTE! Not complete main chain atoms for residue M 439 # IMPORTANT NOTE! Not complete main chain atoms for residue G 440 # IMPORTANT NOTE! Not complete main chain atoms for residue A 441 # IMPORTANT NOTE! Not complete main chain atoms for residue E 442 # IMPORTANT NOTE! Not complete main chain atoms for residue G 443 # IMPORTANT NOTE! Not complete main chain atoms for residue V 447 # IMPORTANT NOTE! Not complete main chain atoms for residue I 448 # IMPORTANT NOTE! Not complete main chain atoms for residue F 449 # IMPORTANT NOTE! Not complete main chain atoms for residue R 450 # IMPORTANT NOTE! Not complete main chain atoms for residue K 451 # IMPORTANT NOTE! Not complete main chain atoms for residue E 452 # IMPORTANT NOTE! Not complete main chain atoms for residue I 453 # IMPORTANT NOTE! Not complete main chain atoms for residue K 454 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue D 458 # IMPORTANT NOTE! Not complete main chain atoms for residue P 459 # IMPORTANT NOTE! Not complete main chain atoms for residue D 460 # IMPORTANT NOTE! Not complete main chain atoms for residue A 461 # IMPORTANT NOTE! Not complete main chain atoms for residue M 462 # IMPORTANT NOTE! Not complete main chain atoms for residue R 463 # IMPORTANT NOTE! Not complete main chain atoms for residue A 464 # IMPORTANT NOTE! Not complete main chain atoms for residue E 465 # IMPORTANT NOTE! Not complete main chain atoms for residue K 466 # IMPORTANT NOTE! Not complete main chain atoms for residue I 467 # IMPORTANT NOTE! Not complete main chain atoms for residue E 468 # IMPORTANT NOTE! Not complete main chain atoms for residue E 469 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 470 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 471 # IMPORTANT NOTE! Not complete main chain atoms for residue N 472 # IMPORTANT NOTE! Not complete main chain atoms for residue A 473 # IMPORTANT NOTE! Not complete main chain atoms for residue F 474 # IMPORTANT NOTE! Not complete main chain atoms for residue N 475 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue P 477 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 478 # IMPORTANT NOTE! Not complete main chain atoms for residue V 479 # IMPORTANT NOTE! Not complete main chain atoms for residue A 480 # IMPORTANT NOTE! Not complete main chain atoms for residue A 481 # IMPORTANT NOTE! Not complete main chain atoms for residue A 482 # IMPORTANT NOTE! Not complete main chain atoms for residue R 483 # IMPORTANT NOTE! Not complete main chain atoms for residue G 484 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 485 # IMPORTANT NOTE! Not complete main chain atoms for residue V 486 # IMPORTANT NOTE! Not complete main chain atoms for residue D 487 # IMPORTANT NOTE! Not complete main chain atoms for residue D 488 # IMPORTANT NOTE! Not complete main chain atoms for residue V 489 # IMPORTANT NOTE! Not complete main chain atoms for residue I 490 # IMPORTANT NOTE! Not complete main chain atoms for residue D 491 # IMPORTANT NOTE! Not complete main chain atoms for residue P 492 # IMPORTANT NOTE! Not complete main chain atoms for residue A 493 # IMPORTANT NOTE! Not complete main chain atoms for residue D 494 # IMPORTANT NOTE! Not complete main chain atoms for residue T 495 # IMPORTANT NOTE! Not complete main chain atoms for residue R 496 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue K 498 # IMPORTANT NOTE! Not complete main chain atoms for residue I 499 # IMPORTANT NOTE! Not complete main chain atoms for residue A 500 # IMPORTANT NOTE! Not complete main chain atoms for residue S 501 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 175 # Total number of atoms in model: 175 # Number of atoms with 1.0 occupancy: 175 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 175 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1NZY_A ATOM 1 CA ALA 319 13.293 91.329 26.365 1.00 1.00 ATOM 2 CA PHE 320 13.497 94.528 28.431 1.00 1.00 ATOM 3 CA ALA 321 14.361 97.614 26.530 1.00 1.00 ATOM 4 CA ARG 322 15.440 100.121 29.178 1.00 1.00 ATOM 5 CA VAL 323 17.213 98.054 31.804 1.00 1.00 ATOM 6 CA ASN 324 19.843 95.400 31.827 1.00 1.00 ATOM 7 CA GLY 325 18.711 92.091 33.218 1.00 1.00 ATOM 8 CA ARG 326 20.077 88.682 33.791 1.00 1.00 ATOM 9 CA SER 327 19.516 85.679 35.855 1.00 1.00 ATOM 14 CA GLY 329 18.375 88.109 39.189 1.00 1.00 ATOM 15 CA ILE 330 20.523 91.110 38.375 1.00 1.00 ATOM 16 CA VAL 331 18.810 94.372 37.486 1.00 1.00 ATOM 17 CA ALA 332 21.057 97.034 36.016 1.00 1.00 ATOM 18 CA ASN 333 19.920 100.662 35.861 1.00 1.00 ATOM 19 CA GLN 334 21.153 101.551 32.459 1.00 1.00 ATOM 20 CA PRO 335 21.306 105.091 31.045 1.00 1.00 ATOM 21 CA SER 336 24.977 105.820 31.585 1.00 1.00 ATOM 22 CA VAL 337 25.045 108.854 29.402 1.00 1.00 ATOM 23 CA MET 338 22.658 110.426 31.851 1.00 1.00 ATOM 24 CA SER 339 24.218 109.019 34.922 1.00 1.00 ATOM 25 CA GLY 340 21.722 106.227 35.135 1.00 1.00 ATOM 26 CA CYS 341 18.799 108.486 35.902 1.00 1.00 ATOM 27 CA LEU 342 15.588 106.229 35.867 1.00 1.00 ATOM 28 CA ASP 343 13.088 106.785 33.064 1.00 1.00 ATOM 29 CA ILE 344 9.415 106.040 33.481 1.00 1.00 ATOM 30 CA ASN 345 9.780 103.100 31.081 1.00 1.00 ATOM 31 CA ALA 346 12.750 101.796 33.017 1.00 1.00 ATOM 32 CA SER 347 11.029 101.940 36.347 1.00 1.00 ATOM 33 CA ASP 348 8.143 99.861 35.029 1.00 1.00 ATOM 34 CA LYS 349 10.643 97.247 33.805 1.00 1.00 ATOM 35 CA ALA 350 12.368 97.104 37.174 1.00 1.00 ATOM 36 CA ALA 351 9.076 96.393 38.892 1.00 1.00 ATOM 37 CA GLU 352 8.225 93.767 36.340 1.00 1.00 ATOM 38 CA PHE 353 11.590 92.200 36.879 1.00 1.00 ATOM 39 CA VAL 354 11.006 92.173 40.564 1.00 1.00 ATOM 40 CA ASN 355 7.668 90.422 40.091 1.00 1.00 ATOM 41 CA PHE 356 9.296 87.890 37.892 1.00 1.00 ATOM 42 CA CYS 357 12.093 87.154 40.316 1.00 1.00 ATOM 43 CA ASP 358 9.680 86.392 43.084 1.00 1.00 ATOM 44 CA SER 359 8.004 83.896 40.799 1.00 1.00 ATOM 45 CA PHE 360 11.227 82.195 39.621 1.00 1.00 ATOM 46 CA ASN 361 12.137 79.132 41.543 1.00 1.00 ATOM 47 CA ILE 362 15.613 79.445 40.251 1.00 1.00 ATOM 48 CA PRO 363 16.092 82.950 41.736 1.00 1.00 ATOM 49 CA LEU 364 17.230 83.153 45.263 1.00 1.00 ATOM 50 CA VAL 365 18.162 86.871 45.412 1.00 1.00 ATOM 51 CA GLN 366 17.933 90.061 43.488 1.00 1.00 ATOM 52 CA LEU 367 20.753 92.512 42.885 1.00 1.00 ATOM 53 CA VAL 368 20.250 96.044 41.730 1.00 1.00 ATOM 54 CA ASP 369 23.187 98.028 40.357 1.00 1.00 ATOM 55 CA VAL 370 24.000 100.676 37.792 1.00 1.00 ATOM 56 CA PRO 371 25.782 100.466 34.497 1.00 1.00 ATOM 57 CA GLY 372 29.297 101.816 34.254 1.00 1.00 ATOM 60 CA PHE 373 24.526 103.881 40.490 1.00 1.00 ATOM 61 CA LEU 374 21.420 106.030 39.747 1.00 1.00 ATOM 62 CA PRO 375 21.044 109.780 39.467 1.00 1.00 ATOM 63 CA GLY 376 17.347 109.727 40.444 1.00 1.00 ATOM 64 CA VAL 377 14.521 111.326 38.562 1.00 1.00 ATOM 65 CA GLN 378 14.983 111.434 34.838 1.00 1.00 ATOM 80 CA GLN 379 1.082 115.555 34.602 1.00 1.00 ATOM 81 CA GLU 380 4.435 114.072 33.988 1.00 1.00 ATOM 82 CA TYR 381 5.267 114.017 37.655 1.00 1.00 ATOM 83 CA GLY 382 1.982 112.270 38.567 1.00 1.00 ATOM 84 CA GLY 383 2.837 109.501 36.181 1.00 1.00 ATOM 85 CA ILE 384 6.463 109.214 37.101 1.00 1.00 ATOM 86 CA ILE 385 5.546 109.368 40.740 1.00 1.00 ATOM 87 CA ARG 386 3.176 106.436 40.425 1.00 1.00 ATOM 88 CA HIS 387 5.787 104.336 38.820 1.00 1.00 ATOM 89 CA GLY 388 8.683 105.364 41.059 1.00 1.00 ATOM 90 CA ALA 389 6.646 104.298 44.136 1.00 1.00 ATOM 91 CA LYS 390 5.215 101.161 42.666 1.00 1.00 ATOM 92 CA MET 391 8.925 100.182 42.199 1.00 1.00 ATOM 93 CA LEU 392 10.113 101.350 45.602 1.00 1.00 ATOM 94 CA TYR 393 7.291 99.567 47.347 1.00 1.00 ATOM 95 CA ALA 394 8.134 96.422 45.294 1.00 1.00 ATOM 96 CA TYR 395 11.687 96.477 46.446 1.00 1.00 ATOM 97 CA SER 396 10.449 96.497 49.994 1.00 1.00 ATOM 98 CA GLU 397 7.664 93.941 49.620 1.00 1.00 ATOM 99 CA ALA 398 9.283 91.499 47.149 1.00 1.00 ATOM 100 CA THR 399 9.579 87.943 48.504 1.00 1.00 ATOM 101 CA VAL 400 13.370 87.848 47.844 1.00 1.00 ATOM 102 CA PRO 401 16.311 89.504 49.582 1.00 1.00 ATOM 103 CA LYS 402 17.428 92.572 47.476 1.00 1.00 ATOM 104 CA ILE 403 21.066 93.717 47.510 1.00 1.00 ATOM 105 CA THR 404 21.849 97.163 46.383 1.00 1.00 ATOM 106 CA VAL 405 25.312 97.072 44.755 1.00 1.00 ATOM 107 CA VAL 406 26.075 100.813 44.770 1.00 1.00 ATOM 108 CA LEU 407 28.862 101.153 42.184 1.00 1.00 ATOM 109 CA ARG 408 28.758 104.980 41.986 1.00 1.00 ATOM 110 CA LYS 409 26.691 107.978 42.747 1.00 1.00 ATOM 111 CA ALA 410 23.213 107.498 44.158 1.00 1.00 ATOM 112 CA TYR 411 21.179 110.659 44.175 1.00 1.00 ATOM 113 CA GLY 412 17.526 111.395 44.963 1.00 1.00 ATOM 114 CA GLY 413 15.472 108.432 43.817 1.00 1.00 ATOM 115 CA SER 414 18.850 106.590 43.417 1.00 1.00 ATOM 116 CA TYR 415 19.465 106.995 47.134 1.00 1.00 ATOM 119 CA LEU 416 19.542 102.123 48.054 1.00 1.00 ATOM 120 CA ALA 417 17.646 102.670 51.177 1.00 1.00 ATOM 121 CA MET 418 14.635 100.477 50.175 1.00 1.00 ATOM 122 CA CYS 419 16.908 97.456 49.497 1.00 1.00 ATOM 123 CA ASP 426 17.519 94.831 52.139 1.00 1.00 ATOM 124 CA ALA 427 21.323 94.979 52.011 1.00 1.00 ATOM 125 CA VAL 428 23.695 97.520 50.657 1.00 1.00 ATOM 126 CA TYR 429 27.395 97.613 49.853 1.00 1.00 ATOM 127 CA ALA 430 29.254 100.188 47.688 1.00 1.00 ATOM 128 CA TRP 431 32.449 100.930 45.862 1.00 1.00 ATOM 129 CA PRO 432 34.913 103.352 47.287 1.00 1.00 ATOM 130 CA SER 433 34.088 105.717 44.478 1.00 1.00 ATOM 131 CA ALA 434 30.324 105.783 45.333 1.00 1.00 ATOM 132 CA GLU 435 28.581 108.752 46.897 1.00 1.00 ATOM 133 CA ILE 436 25.150 109.641 48.228 1.00 1.00 ATOM 134 CA ALA 437 23.152 112.778 48.032 1.00 1.00 ATOM 135 CA VAL 438 19.478 113.756 48.638 1.00 1.00 ATOM 136 CA MET 439 19.447 116.327 45.799 1.00 1.00 ATOM 137 CA GLY 440 15.594 116.903 46.022 1.00 1.00 ATOM 138 CA ALA 441 15.993 120.363 47.369 1.00 1.00 ATOM 139 CA GLU 442 18.493 121.426 44.882 1.00 1.00 ATOM 140 CA GLY 443 16.273 120.561 42.113 1.00 1.00 ATOM 141 CA VAL 447 13.397 122.217 44.019 1.00 1.00 ATOM 142 CA ILE 448 11.224 119.060 44.621 1.00 1.00 ATOM 143 CA PHE 449 9.676 117.740 47.871 1.00 1.00 ATOM 144 CA ARG 450 11.394 114.488 48.936 1.00 1.00 ATOM 145 CA LYS 451 9.919 111.113 48.185 1.00 1.00 ATOM 146 CA GLU 452 10.905 107.568 47.053 1.00 1.00 ATOM 147 CA ILE 453 10.144 106.467 50.606 1.00 1.00 ATOM 148 CA LYS 454 12.864 108.585 52.224 1.00 1.00 ATOM 149 CA ALA 455 10.319 109.494 54.871 1.00 1.00 ATOM 150 CA ALA 456 10.072 105.787 55.575 1.00 1.00 ATOM 151 CA ASP 457 13.538 104.323 55.052 1.00 1.00 ATOM 152 CA ASP 458 16.147 106.924 55.965 1.00 1.00 ATOM 153 CA PRO 459 15.453 107.346 59.534 1.00 1.00 ATOM 154 CA ASP 460 14.781 103.642 59.973 1.00 1.00 ATOM 155 CA ALA 461 18.408 103.115 58.938 1.00 1.00 ATOM 156 CA MET 462 20.303 106.218 60.274 1.00 1.00 ATOM 157 CA ARG 463 18.054 107.597 62.986 1.00 1.00 ATOM 158 CA ALA 464 15.976 110.783 62.779 1.00 1.00 ATOM 159 CA GLU 465 18.746 113.307 63.408 1.00 1.00 ATOM 160 CA LYS 466 21.031 112.115 60.651 1.00 1.00 ATOM 161 CA ILE 467 18.115 111.651 58.374 1.00 1.00 ATOM 162 CA GLU 468 17.007 115.297 58.930 1.00 1.00 ATOM 163 CA GLU 469 20.545 116.485 58.547 1.00 1.00 ATOM 164 CA TYR 470 21.233 114.843 55.276 1.00 1.00 ATOM 165 CA GLN 471 18.016 116.064 53.767 1.00 1.00 ATOM 168 CA ASN 472 21.931 118.377 50.922 1.00 1.00 ATOM 169 CA ALA 473 25.588 117.603 51.343 1.00 1.00 ATOM 170 CA PHE 474 27.316 114.656 49.729 1.00 1.00 ATOM 171 CA ASN 475 27.920 111.667 51.997 1.00 1.00 ATOM 172 CA THR 476 31.073 109.655 51.146 1.00 1.00 ATOM 173 CA PRO 477 31.602 105.946 51.673 1.00 1.00 ATOM 174 CA TYR 478 33.357 106.019 54.988 1.00 1.00 ATOM 175 CA VAL 479 30.686 108.119 56.535 1.00 1.00 ATOM 176 CA ALA 480 27.934 106.110 54.872 1.00 1.00 ATOM 177 CA ALA 481 29.317 103.001 56.464 1.00 1.00 ATOM 178 CA ALA 482 29.696 104.673 59.780 1.00 1.00 ATOM 179 CA ARG 483 26.023 105.725 59.534 1.00 1.00 ATOM 180 CA GLY 484 24.782 102.221 58.727 1.00 1.00 ATOM 181 CA GLN 485 23.779 103.289 55.175 1.00 1.00 ATOM 182 CA VAL 486 26.138 100.655 53.672 1.00 1.00 ATOM 183 CA ASP 487 27.515 97.608 55.410 1.00 1.00 ATOM 184 CA ASP 488 30.891 97.566 53.603 1.00 1.00 ATOM 185 CA VAL 489 32.937 99.497 51.023 1.00 1.00 ATOM 186 CA ILE 490 35.159 97.948 48.349 1.00 1.00 ATOM 187 CA ASP 491 37.736 99.195 46.012 1.00 1.00 ATOM 188 CA PRO 492 36.225 100.227 42.849 1.00 1.00 ATOM 189 CA ALA 493 38.114 97.720 40.761 1.00 1.00 ATOM 190 CA ASP 494 37.140 94.744 42.945 1.00 1.00 ATOM 191 CA THR 495 33.555 95.870 43.591 1.00 1.00 ATOM 192 CA ARG 496 31.651 94.082 40.900 1.00 1.00 ATOM 193 CA ARG 497 33.197 90.791 41.578 1.00 1.00 ATOM 194 CA LYS 498 32.845 91.138 45.253 1.00 1.00 ATOM 195 CA ILE 499 29.220 92.067 44.882 1.00 1.00 ATOM 196 CA ALA 500 28.369 89.144 42.576 1.00 1.00 ATOM 197 CA SER 501 29.856 86.798 45.074 1.00 1.00 ATOM 198 CA ALA 502 27.885 88.306 47.903 1.00 1.00 ATOM 199 CA LEU 503 24.725 88.107 45.792 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:30:08 2002 Date: Wed, 24 Jul 2002 15:30:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 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 Jul 24 15:03:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_158104_13898 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS007_4 Current information on models submitted in prediction T0136TS007 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_4 PIN_158104_13898 6269-7633-6117 07/24/02 15:03:07 casp5@bialko.llnl.gov T0136TS007_3 PIN_130993_13893 6269-7633-6117 07/24/02 15:00:48 casp5@bialko.llnl.gov T0136TS007_5 PIN_709141_13887 6269-7633-6117 07/24/02 14:59:20 casp5@bialko.llnl.gov T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 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 T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS007_1 PIN_708180_13885 6269-7633-6117 07/24/02 14:58:28 casp5@bialko.llnl.gov T0136TS007_2 PIN_690235_13881 6269-7633-6117 07/24/02 14:57:31 casp5@bialko.llnl.gov T0136TS007_3 PIN_130993_13893 6269-7633-6117 07/24/02 15:00:48 casp5@bialko.llnl.gov T0136TS007_4 PIN_158104_13898 6269-7633-6117 07/24/02 15:03:07 casp5@bialko.llnl.gov T0136TS007_5 PIN_709141_13887 6269-7633-6117 07/24/02 14:59:20 casp5@bialko.llnl.gov T0136SS007_1 PIN_303211_10827 6269-7633-6117 06/15/02 15:18:31 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 T0136 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1EF8_A # Loading PARENT structure: 1ef8 (chain: A) # Number of residues in PARENT structure: 256 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 F 320 # IMPORTANT NOTE! Not complete main chain atoms for residue A 321 # IMPORTANT NOTE! Not complete main chain atoms for residue R 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue N 324 # IMPORTANT NOTE! Not complete main chain atoms for residue G 325 # IMPORTANT NOTE! Not complete main chain atoms for residue R 326 # IMPORTANT NOTE! Not complete main chain atoms for residue S 327 # IMPORTANT NOTE! Not complete main chain atoms for residue V 328 # IMPORTANT NOTE! Not complete main chain atoms for residue G 329 # IMPORTANT NOTE! Not complete main chain atoms for residue I 330 # IMPORTANT NOTE! Not complete main chain atoms for residue V 331 # IMPORTANT NOTE! Not complete main chain atoms for residue A 332 # IMPORTANT NOTE! Not complete main chain atoms for residue N 333 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 334 # IMPORTANT NOTE! Not complete main chain atoms for residue P 335 # IMPORTANT NOTE! Not complete main chain atoms for residue S 336 # IMPORTANT NOTE! Not complete main chain atoms for residue V 337 # IMPORTANT NOTE! Not complete main chain atoms for residue M 338 # IMPORTANT NOTE! Not complete main chain atoms for residue S 339 # IMPORTANT NOTE! Not complete main chain atoms for residue G 340 # IMPORTANT NOTE! Not complete main chain atoms for residue C 341 # IMPORTANT NOTE! Not complete main chain atoms for residue L 342 # IMPORTANT NOTE! Not complete main chain atoms for residue D 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue N 345 # IMPORTANT NOTE! Not complete main chain atoms for residue A 346 # IMPORTANT NOTE! Not complete main chain atoms for residue S 347 # IMPORTANT NOTE! Not complete main chain atoms for residue D 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue A 350 # IMPORTANT NOTE! Not complete main chain atoms for residue A 351 # IMPORTANT NOTE! Not complete main chain atoms for residue E 352 # IMPORTANT NOTE! Not complete main chain atoms for residue F 353 # IMPORTANT NOTE! Not complete main chain atoms for residue V 354 # IMPORTANT NOTE! Not complete main chain atoms for residue N 355 # IMPORTANT NOTE! Not complete main chain atoms for residue F 356 # IMPORTANT NOTE! Not complete main chain atoms for residue C 357 # IMPORTANT NOTE! Not complete main chain atoms for residue D 358 # IMPORTANT NOTE! Not complete main chain atoms for residue S 359 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue N 361 # IMPORTANT NOTE! Not complete main chain atoms for residue I 362 # IMPORTANT NOTE! Not complete main chain atoms for residue P 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue V 365 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 366 # IMPORTANT NOTE! Not complete main chain atoms for residue L 367 # IMPORTANT NOTE! Not complete main chain atoms for residue V 368 # IMPORTANT NOTE! Not complete main chain atoms for residue D 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue P 371 # IMPORTANT NOTE! Not complete main chain atoms for residue G 372 # IMPORTANT NOTE! Not complete main chain atoms for residue F 373 # IMPORTANT NOTE! Not complete main chain atoms for residue L 374 # IMPORTANT NOTE! Not complete main chain atoms for residue P 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # IMPORTANT NOTE! Not complete main chain atoms for residue V 377 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 378 # IMPORTANT NOTE! Not complete main chain atoms for residue G 383 # IMPORTANT NOTE! Not complete main chain atoms for residue I 384 # IMPORTANT NOTE! Not complete main chain atoms for residue I 385 # IMPORTANT NOTE! Not complete main chain atoms for residue R 386 # IMPORTANT NOTE! Not complete main chain atoms for residue H 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue A 389 # IMPORTANT NOTE! Not complete main chain atoms for residue K 390 # IMPORTANT NOTE! Not complete main chain atoms for residue M 391 # IMPORTANT NOTE! Not complete main chain atoms for residue L 392 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 393 # IMPORTANT NOTE! Not complete main chain atoms for residue A 394 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 395 # IMPORTANT NOTE! Not complete main chain atoms for residue S 396 # IMPORTANT NOTE! Not complete main chain atoms for residue E 397 # IMPORTANT NOTE! Not complete main chain atoms for residue A 398 # IMPORTANT NOTE! Not complete main chain atoms for residue T 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 400 # IMPORTANT NOTE! Not complete main chain atoms for residue P 401 # IMPORTANT NOTE! Not complete main chain atoms for residue K 402 # IMPORTANT NOTE! Not complete main chain atoms for residue I 403 # IMPORTANT NOTE! Not complete main chain atoms for residue T 404 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue V 406 # IMPORTANT NOTE! Not complete main chain atoms for residue L 407 # IMPORTANT NOTE! Not complete main chain atoms for residue R 408 # IMPORTANT NOTE! Not complete main chain atoms for residue K 409 # IMPORTANT NOTE! Not complete main chain atoms for residue A 410 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 411 # IMPORTANT NOTE! Not complete main chain atoms for residue G 412 # IMPORTANT NOTE! Not complete main chain atoms for residue G 413 # IMPORTANT NOTE! Not complete main chain atoms for residue S 414 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 415 # IMPORTANT NOTE! Not complete main chain atoms for residue L 416 # IMPORTANT NOTE! Not complete main chain atoms for residue A 417 # IMPORTANT NOTE! Not complete main chain atoms for residue M 418 # IMPORTANT NOTE! Not complete main chain atoms for residue C 419 # IMPORTANT NOTE! Not complete main chain atoms for residue N 420 # IMPORTANT NOTE! Not complete main chain atoms for residue R 421 # IMPORTANT NOTE! Not complete main chain atoms for residue D 426 # IMPORTANT NOTE! Not complete main chain atoms for residue A 427 # IMPORTANT NOTE! Not complete main chain atoms for residue V 428 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 429 # IMPORTANT NOTE! Not complete main chain atoms for residue A 430 # IMPORTANT NOTE! Not complete main chain atoms for residue W 431 # IMPORTANT NOTE! Not complete main chain atoms for residue P 432 # IMPORTANT NOTE! Not complete main chain atoms for residue S 433 # IMPORTANT NOTE! Not complete main chain atoms for residue A 434 # IMPORTANT NOTE! Not complete main chain atoms for residue E 435 # IMPORTANT NOTE! Not complete main chain atoms for residue I 436 # IMPORTANT NOTE! Not complete main chain atoms for residue A 437 # IMPORTANT NOTE! Not complete main chain atoms for residue V 438 # IMPORTANT NOTE! Not complete main chain atoms for residue M 439 # IMPORTANT NOTE! Not complete main chain atoms for residue G 440 # IMPORTANT NOTE! Not complete main chain atoms for residue A 441 # IMPORTANT NOTE! Not complete main chain atoms for residue E 442 # IMPORTANT NOTE! Not complete main chain atoms for residue G 443 # IMPORTANT NOTE! Not complete main chain atoms for residue I 448 # IMPORTANT NOTE! Not complete main chain atoms for residue F 449 # IMPORTANT NOTE! Not complete main chain atoms for residue R 450 # IMPORTANT NOTE! Not complete main chain atoms for residue K 451 # IMPORTANT NOTE! Not complete main chain atoms for residue E 452 # IMPORTANT NOTE! Not complete main chain atoms for residue I 453 # IMPORTANT NOTE! Not complete main chain atoms for residue K 454 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue D 458 # IMPORTANT NOTE! Not complete main chain atoms for residue P 459 # IMPORTANT NOTE! Not complete main chain atoms for residue D 460 # IMPORTANT NOTE! Not complete main chain atoms for residue A 461 # IMPORTANT NOTE! Not complete main chain atoms for residue M 462 # IMPORTANT NOTE! Not complete main chain atoms for residue R 463 # IMPORTANT NOTE! Not complete main chain atoms for residue A 464 # IMPORTANT NOTE! Not complete main chain atoms for residue E 465 # IMPORTANT NOTE! Not complete main chain atoms for residue K 466 # IMPORTANT NOTE! Not complete main chain atoms for residue I 467 # IMPORTANT NOTE! Not complete main chain atoms for residue E 468 # IMPORTANT NOTE! Not complete main chain atoms for residue E 469 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 470 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 471 # IMPORTANT NOTE! Not complete main chain atoms for residue N 472 # IMPORTANT NOTE! Not complete main chain atoms for residue A 473 # IMPORTANT NOTE! Not complete main chain atoms for residue F 474 # IMPORTANT NOTE! Not complete main chain atoms for residue N 475 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue P 477 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 478 # IMPORTANT NOTE! Not complete main chain atoms for residue V 479 # IMPORTANT NOTE! Not complete main chain atoms for residue A 480 # IMPORTANT NOTE! Not complete main chain atoms for residue A 481 # IMPORTANT NOTE! Not complete main chain atoms for residue A 482 # IMPORTANT NOTE! Not complete main chain atoms for residue R 483 # IMPORTANT NOTE! Not complete main chain atoms for residue G 484 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 485 # IMPORTANT NOTE! Not complete main chain atoms for residue V 486 # IMPORTANT NOTE! Not complete main chain atoms for residue D 487 # IMPORTANT NOTE! Not complete main chain atoms for residue D 488 # IMPORTANT NOTE! Not complete main chain atoms for residue V 489 # IMPORTANT NOTE! Not complete main chain atoms for residue I 490 # IMPORTANT NOTE! Not complete main chain atoms for residue D 491 # IMPORTANT NOTE! Not complete main chain atoms for residue P 492 # IMPORTANT NOTE! Not complete main chain atoms for residue A 493 # IMPORTANT NOTE! Not complete main chain atoms for residue D 494 # IMPORTANT NOTE! Not complete main chain atoms for residue T 495 # IMPORTANT NOTE! Not complete main chain atoms for residue R 496 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue K 498 # IMPORTANT NOTE! Not complete main chain atoms for residue I 499 # IMPORTANT NOTE! Not complete main chain atoms for residue A 500 # IMPORTANT NOTE! Not complete main chain atoms for residue S 501 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # IMPORTANT NOTE! Not complete main chain atoms for residue E 504 # IMPORTANT NOTE! Not complete main chain atoms for residue M 505 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 506 # IMPORTANT NOTE! Not complete main chain atoms for residue A 507 # IMPORTANT NOTE! Not complete main chain atoms for residue T 508 # IMPORTANT NOTE! Not complete main chain atoms for residue K 509 # IMPORTANT NOTE! Not complete main chain atoms for residue R 510 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 511 # IMPORTANT NOTE! Not complete main chain atoms for residue T 512 # IMPORTANT NOTE! Not complete main chain atoms for residue R 513 # IMPORTANT NOTE! Not complete main chain atoms for residue P 514 # IMPORTANT NOTE! Not complete main chain atoms for residue A 515 # IMPORTANT NOTE! Not complete main chain atoms for residue K 516 # IMPORTANT NOTE! Not complete main chain atoms for residue K 517 # IMPORTANT NOTE! Not complete main chain atoms for residue H 518 # IMPORTANT NOTE! Not complete main chain atoms for residue G 519 # IMPORTANT NOTE! Not complete main chain atoms for residue N 520 # IMPORTANT NOTE! Not complete main chain atoms for residue F 521 # IMPORTANT NOTE! Not complete main chain atoms for residue P 522 # IMPORTANT NOTE! Not complete main chain atoms for residue C 523 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 193 # Total number of atoms in model: 193 # Number of atoms with 1.0 occupancy: 193 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 193 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1EF8_A ATOM 2 CA ALA 319 15.603 -22.322 11.506 1.00 1.00 ATOM 3 CA PHE 320 17.617 -19.910 9.251 1.00 1.00 ATOM 4 CA ALA 321 21.031 -19.908 7.801 1.00 1.00 ATOM 5 CA ARG 322 21.801 -16.284 8.690 1.00 1.00 ATOM 6 CA VAL 323 19.971 -15.465 11.894 1.00 1.00 ATOM 7 CA ASN 324 19.219 -17.334 15.098 1.00 1.00 ATOM 8 CA GLY 325 15.882 -16.802 16.823 1.00 1.00 ATOM 9 CA ARG 326 14.734 -17.385 20.353 1.00 1.00 ATOM 10 CA SER 327 11.466 -16.838 22.037 1.00 1.00 ATOM 14 CA VAL 328 9.299 -11.682 23.233 1.00 1.00 ATOM 15 CA GLY 329 11.308 -12.890 20.252 1.00 1.00 ATOM 16 CA ILE 330 15.000 -12.223 19.751 1.00 1.00 ATOM 17 CA VAL 331 16.481 -12.202 16.307 1.00 1.00 ATOM 18 CA ALA 332 20.262 -12.512 16.460 1.00 1.00 ATOM 19 CA ASN 333 22.395 -12.017 13.465 1.00 1.00 ATOM 20 CA GLN 334 24.474 -14.945 12.254 1.00 1.00 ATOM 21 CA PRO 335 26.569 -13.273 9.562 1.00 1.00 ATOM 22 CA SER 336 29.847 -12.515 11.303 1.00 1.00 ATOM 23 CA VAL 337 32.291 -13.160 8.493 1.00 1.00 ATOM 24 CA MET 338 31.034 -10.115 6.721 1.00 1.00 ATOM 25 CA SER 339 30.635 -8.245 9.878 1.00 1.00 ATOM 26 CA GLY 340 26.854 -8.482 9.430 1.00 1.00 ATOM 27 CA CYS 341 26.929 -6.501 6.183 1.00 1.00 ATOM 28 CA LEU 342 23.466 -6.180 4.701 1.00 1.00 ATOM 29 CA ASP 343 23.702 -8.869 2.007 1.00 1.00 ATOM 30 CA ILE 344 20.637 -10.091 0.234 1.00 1.00 ATOM 31 CA ASN 345 20.807 -13.629 1.730 1.00 1.00 ATOM 32 CA ALA 346 21.218 -12.108 5.140 1.00 1.00 ATOM 33 CA SER 347 18.389 -9.629 4.773 1.00 1.00 ATOM 34 CA ASP 348 16.180 -12.303 3.274 1.00 1.00 ATOM 35 CA LYS 349 16.620 -14.493 6.389 1.00 1.00 ATOM 36 CA ALA 350 15.916 -11.533 8.698 1.00 1.00 ATOM 37 CA ALA 351 12.750 -10.900 6.754 1.00 1.00 ATOM 38 CA GLU 352 11.627 -14.534 6.773 1.00 1.00 ATOM 39 CA PHE 353 12.186 -14.665 10.494 1.00 1.00 ATOM 40 CA VAL 354 10.081 -11.569 11.068 1.00 1.00 ATOM 41 CA ASN 355 7.402 -12.916 8.915 1.00 1.00 ATOM 42 CA PHE 356 7.442 -16.245 10.721 1.00 1.00 ATOM 43 CA CYS 357 7.102 -14.280 14.036 1.00 1.00 ATOM 44 CA ASP 358 3.965 -12.432 12.961 1.00 1.00 ATOM 45 CA SER 359 1.700 -14.390 15.278 1.00 1.00 ATOM 46 CA PHE 360 -0.677 -13.315 18.085 1.00 1.00 ATOM 47 CA ASN 361 1.562 -14.913 20.724 1.00 1.00 ATOM 48 CA ILE 362 4.572 -12.830 19.775 1.00 1.00 ATOM 49 CA PRO 363 4.390 -9.248 21.044 1.00 1.00 ATOM 50 CA LEU 364 7.718 -7.634 20.749 1.00 1.00 ATOM 51 CA VAL 365 10.831 -8.189 18.787 1.00 1.00 ATOM 52 CA GLN 366 14.422 -7.484 19.623 1.00 1.00 ATOM 53 CA LEU 367 17.129 -7.252 16.929 1.00 1.00 ATOM 54 CA VAL 368 20.735 -7.826 18.009 1.00 1.00 ATOM 55 CA ASP 369 24.235 -8.834 17.019 1.00 1.00 ATOM 56 CA VAL 370 25.904 -11.702 18.888 1.00 1.00 ATOM 57 CA PRO 371 27.007 -10.978 22.423 1.00 1.00 ATOM 58 CA GLY 372 30.439 -9.306 22.469 1.00 1.00 ATOM 62 CA PHE 373 27.114 -4.412 15.116 1.00 1.00 ATOM 63 CA LEU 374 26.811 -4.132 11.319 1.00 1.00 ATOM 64 CA PRO 375 29.097 -2.947 8.546 1.00 1.00 ATOM 65 CA GLY 376 26.107 -1.701 6.573 1.00 1.00 ATOM 66 CA VAL 377 25.651 -2.093 2.814 1.00 1.00 ATOM 67 CA GLN 378 27.456 -4.921 1.177 1.00 1.00 ATOM 80 CA GLY 383 16.044 0.892 -5.748 1.00 1.00 ATOM 81 CA ILE 384 12.670 -0.086 -4.326 1.00 1.00 ATOM 82 CA ILE 385 13.399 -3.705 -4.180 1.00 1.00 ATOM 83 CA ARG 386 16.883 -3.611 -2.793 1.00 1.00 ATOM 84 CA HIS 387 17.397 -5.460 0.449 1.00 1.00 ATOM 85 CA GLY 388 17.954 -2.426 2.687 1.00 1.00 ATOM 86 CA ALA 389 14.889 -0.849 1.134 1.00 1.00 ATOM 87 CA LYS 390 12.826 -3.907 1.731 1.00 1.00 ATOM 88 CA MET 391 13.828 -4.414 5.333 1.00 1.00 ATOM 89 CA LEU 392 13.242 -0.821 6.501 1.00 1.00 ATOM 90 CA TYR 393 9.838 -1.040 4.931 1.00 1.00 ATOM 91 CA ALA 394 9.035 -4.292 6.602 1.00 1.00 ATOM 92 CA TYR 395 10.281 -3.233 9.983 1.00 1.00 ATOM 93 CA SER 396 8.209 -0.043 9.801 1.00 1.00 ATOM 94 CA GLU 397 5.055 -1.854 8.771 1.00 1.00 ATOM 95 CA ALA 398 5.487 -4.768 11.232 1.00 1.00 ATOM 96 CA THR 399 2.565 -4.759 13.696 1.00 1.00 ATOM 97 CA VAL 400 4.749 -5.453 16.687 1.00 1.00 ATOM 98 CA PRO 401 7.279 -3.138 18.179 1.00 1.00 ATOM 99 CA LYS 402 10.809 -3.728 17.091 1.00 1.00 ATOM 100 CA ILE 403 13.691 -2.775 19.327 1.00 1.00 ATOM 101 CA THR 404 17.262 -2.532 18.062 1.00 1.00 ATOM 102 CA VAL 405 19.612 -3.733 20.837 1.00 1.00 ATOM 103 CA VAL 406 22.990 -2.397 19.946 1.00 1.00 ATOM 104 CA LEU 407 26.427 -3.662 20.895 1.00 1.00 ATOM 105 CA ARG 408 29.398 -2.638 18.651 1.00 1.00 ATOM 106 CA LYS 409 29.818 -0.019 15.864 1.00 1.00 ATOM 107 CA ALA 410 26.948 0.822 13.463 1.00 1.00 ATOM 108 CA TYR 411 27.649 1.850 9.875 1.00 1.00 ATOM 109 CA GLY 412 25.758 3.500 7.052 1.00 1.00 ATOM 110 CA GLY 413 22.962 1.259 5.849 1.00 1.00 ATOM 111 CA SER 414 22.877 -0.427 9.286 1.00 1.00 ATOM 112 CA TYR 415 22.460 2.950 10.807 1.00 1.00 ATOM 113 CA LEU 416 19.422 3.567 8.622 1.00 1.00 ATOM 114 CA ALA 417 18.184 0.099 9.528 1.00 1.00 ATOM 115 CA MET 418 18.215 0.735 13.273 1.00 1.00 ATOM 116 CA CYS 419 16.720 4.236 12.810 1.00 1.00 ATOM 117 CA ASN 420 13.782 2.612 11.047 1.00 1.00 ATOM 118 CA ARG 421 13.068 0.501 14.141 1.00 1.00 ATOM 119 CA ASP 426 10.864 1.631 17.014 1.00 1.00 ATOM 120 CA ALA 427 13.332 1.934 19.873 1.00 1.00 ATOM 121 CA VAL 428 17.112 1.770 20.138 1.00 1.00 ATOM 122 CA TYR 429 18.850 0.545 23.302 1.00 1.00 ATOM 123 CA ALA 430 22.610 0.532 23.215 1.00 1.00 ATOM 124 CA TRP 431 25.851 -0.224 25.118 1.00 1.00 ATOM 125 CA PRO 432 27.832 2.693 26.412 1.00 1.00 ATOM 126 CA SER 433 30.677 1.664 24.065 1.00 1.00 ATOM 127 CA ALA 434 28.653 1.441 20.858 1.00 1.00 ATOM 128 CA GLU 435 29.221 3.966 18.089 1.00 1.00 ATOM 129 CA ILE 436 27.290 5.375 15.173 1.00 1.00 ATOM 130 CA ALA 437 28.168 6.588 11.706 1.00 1.00 ATOM 131 CA VAL 438 26.276 7.571 8.431 1.00 1.00 ATOM 132 CA MET 439 28.674 7.094 5.511 1.00 1.00 ATOM 133 CA GLY 440 27.222 7.531 1.960 1.00 1.00 ATOM 134 CA ALA 441 29.560 10.542 1.475 1.00 1.00 ATOM 135 CA GLU 442 32.612 8.331 1.927 1.00 1.00 ATOM 136 CA GLY 443 31.729 6.397 -1.291 1.00 1.00 ATOM 138 CA ILE 448 26.554 7.477 -3.129 1.00 1.00 ATOM 139 CA PHE 449 23.449 9.494 -3.941 1.00 1.00 ATOM 140 CA ARG 450 21.248 8.174 -1.117 1.00 1.00 ATOM 141 CA LYS 451 17.505 7.928 -1.925 1.00 1.00 ATOM 142 CA GLU 452 14.746 10.213 -0.667 1.00 1.00 ATOM 143 CA ILE 453 12.991 7.539 1.467 1.00 1.00 ATOM 144 CA LYS 454 16.337 6.576 2.935 1.00 1.00 ATOM 145 CA ALA 455 17.196 10.077 3.934 1.00 1.00 ATOM 146 CA ALA 456 13.672 10.661 5.215 1.00 1.00 ATOM 147 CA ASP 457 14.121 7.746 7.606 1.00 1.00 ATOM 148 CA ASP 458 17.014 9.598 9.301 1.00 1.00 ATOM 149 CA PRO 459 15.132 12.806 10.104 1.00 1.00 ATOM 150 CA ASP 460 12.563 11.834 12.730 1.00 1.00 ATOM 151 CA ALA 461 14.674 11.794 15.821 1.00 1.00 ATOM 152 CA MET 462 17.536 14.301 15.865 1.00 1.00 ATOM 153 CA ARG 463 17.208 17.803 14.393 1.00 1.00 ATOM 154 CA ALA 464 18.238 19.017 10.907 1.00 1.00 ATOM 155 CA GLU 465 21.578 20.526 11.790 1.00 1.00 ATOM 156 CA LYS 466 22.598 17.443 13.671 1.00 1.00 ATOM 157 CA ILE 467 21.566 15.068 10.879 1.00 1.00 ATOM 158 CA GLU 468 23.489 17.241 8.439 1.00 1.00 ATOM 159 CA GLU 469 26.618 17.121 10.518 1.00 1.00 ATOM 160 CA TYR 470 26.404 13.260 10.712 1.00 1.00 ATOM 161 CA GLN 471 25.984 12.854 7.022 1.00 1.00 ATOM 164 CA ASN 472 30.457 10.722 8.059 1.00 1.00 ATOM 165 CA ALA 473 32.088 10.964 11.490 1.00 1.00 ATOM 166 CA PHE 474 31.273 8.580 14.259 1.00 1.00 ATOM 167 CA ASN 475 29.367 9.597 17.325 1.00 1.00 ATOM 168 CA THR 476 29.402 8.071 20.761 1.00 1.00 ATOM 169 CA PRO 477 26.462 6.472 22.341 1.00 1.00 ATOM 170 CA TYR 478 26.298 9.326 24.852 1.00 1.00 ATOM 171 CA VAL 479 25.990 11.844 22.043 1.00 1.00 ATOM 172 CA ALA 480 23.532 9.674 20.165 1.00 1.00 ATOM 173 CA ALA 481 21.452 9.658 23.329 1.00 1.00 ATOM 174 CA ALA 482 21.776 13.404 23.745 1.00 1.00 ATOM 175 CA ARG 483 20.607 14.285 20.265 1.00 1.00 ATOM 176 CA GLY 484 17.516 12.116 20.441 1.00 1.00 ATOM 177 CA GLN 485 18.681 9.126 18.424 1.00 1.00 ATOM 178 CA VAL 486 18.868 6.586 21.278 1.00 1.00 ATOM 179 CA ASP 487 16.267 5.715 23.870 1.00 1.00 ATOM 180 CA ASP 488 18.686 4.478 26.537 1.00 1.00 ATOM 181 CA VAL 489 22.353 3.806 26.995 1.00 1.00 ATOM 182 CA ILE 490 23.583 1.153 29.429 1.00 1.00 ATOM 183 CA ASP 491 26.688 -0.692 30.459 1.00 1.00 ATOM 184 CA PRO 492 27.292 -3.639 28.092 1.00 1.00 ATOM 185 CA ALA 493 26.877 -6.148 30.893 1.00 1.00 ATOM 232 CA ASP 494 17.641 13.344 -12.293 1.00 1.00 ATOM 233 CA THR 495 20.149 14.684 -9.791 1.00 1.00 ATOM 234 CA ARG 496 20.630 11.209 -8.370 1.00 1.00 ATOM 235 CA ARG 497 21.293 9.791 -11.834 1.00 1.00 ATOM 236 CA LYS 498 23.851 12.441 -12.474 1.00 1.00 ATOM 237 CA ILE 499 25.616 11.321 -9.317 1.00 1.00 ATOM 238 CA ALA 500 25.461 7.678 -10.295 1.00 1.00 ATOM 239 CA SER 501 26.977 8.573 -13.690 1.00 1.00 ATOM 240 CA ALA 502 29.846 10.633 -12.228 1.00 1.00 ATOM 241 CA LEU 503 33.527 9.919 -12.086 1.00 1.00 ATOM 242 CA GLU 504 33.408 10.536 -8.372 1.00 1.00 ATOM 243 CA MET 505 30.965 7.664 -8.079 1.00 1.00 ATOM 244 CA TYR 506 33.361 5.240 -9.733 1.00 1.00 ATOM 245 CA ALA 507 36.186 6.597 -7.740 1.00 1.00 ATOM 246 CA THR 508 34.413 6.146 -4.470 1.00 1.00 ATOM 247 CA LYS 509 33.472 2.444 -5.013 1.00 1.00 ATOM 248 CA ARG 510 36.930 1.478 -6.268 1.00 1.00 ATOM 249 CA GLN 511 38.689 3.187 -3.494 1.00 1.00 ATOM 250 CA THR 512 36.408 1.308 -1.200 1.00 1.00 ATOM 251 CA ARG 513 37.093 -1.992 -2.908 1.00 1.00 ATOM 252 CA PRO 514 40.747 -0.947 -3.331 1.00 1.00 ATOM 253 CA ALA 515 40.945 -0.194 0.399 1.00 1.00 ATOM 254 CA LYS 516 42.516 3.251 -0.279 1.00 1.00 ATOM 255 CA LYS 517 41.567 6.922 0.252 1.00 1.00 ATOM 256 CA HIS 518 39.331 8.219 -2.524 1.00 1.00 ATOM 257 CA GLY 519 40.111 11.291 -4.506 1.00 1.00 ATOM 258 CA ASN 520 36.902 13.195 -5.199 1.00 1.00 ATOM 259 CA PHE 521 36.953 15.802 -7.846 1.00 1.00 ATOM 260 CA PRO 522 33.411 17.047 -8.184 1.00 1.00 ATOM 261 CA CYS 523 32.467 15.379 -11.446 1.00 1.00 TER END ################################ # # # END # # # ################################