From mailer@bialko.llnl.gov Sun Jul 28 09:44:08 2002 Date: Sun, 28 Jul 2002 09:44:02 -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 Sun Jul 28 09:17:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_293061_16259 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162SS007_1 Current information on models submitted in prediction T0162SS007 MODEL_INDEX PIN CODE DATE E-mail T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0162 MODEL_INDEX PIN CODE DATE E-mail T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0162 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: 286 # Number of residues with nonzero confidence: 286 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0162 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-24235.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-21230//target-align-21230.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 13.4626 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-24235.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc48.27684/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 Jul 25 15:14:47 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-21230//target-align-21230.a2m METHOD METHOD guide seq name: seed-seqs-24235.a2m(1), 286 bases, 26611111 checksum. METHOD ###end 0 MODEL 1 M C 0.691 A C 0.464 D C 0.481 F C 0.507 E H 0.467 D H 0.45 R C 0.446 V C 0.515 S C 0.624 D H 0.624 E H 0.688 E H 0.699 K H 0.715 V H 0.72 R H 0.719 I H 0.709 A H 0.695 A H 0.697 K H 0.684 F H 0.656 I H 0.626 T H 0.544 H C 0.433 A C 0.721 P C 0.793 P C 0.654 G H 0.487 E H 0.568 F H 0.643 N H 0.655 E H 0.669 V H 0.677 F H 0.704 N H 0.705 D H 0.714 V H 0.748 R H 0.744 L H 0.736 L H 0.701 L H 0.622 N H 0.497 N H 0.556 D H 0.632 N H 0.662 L H 0.678 L H 0.672 R H 0.685 E H 0.694 G H 0.682 A H 0.689 A H 0.692 H H 0.702 A H 0.69 F H 0.679 A H 0.674 Q H 0.62 Y H 0.473 N C 0.537 M C 0.541 D C 0.57 Q C 0.515 F C 0.496 T E 0.45 P E 0.493 V E 0.568 K E 0.566 I E 0.5 E C 0.514 G C 0.657 Y C 0.658 D C 0.649 D C 0.628 Q C 0.463 V E 0.619 L E 0.677 I E 0.654 T E 0.487 E C 0.456 H C 0.549 G C 0.583 D C 0.547 L C 0.539 G C 0.651 N C 0.666 G C 0.614 R C 0.531 F E 0.407 L C 0.437 D C 0.612 P C 0.511 R C 0.504 N C 0.491 K C 0.435 I E 0.382 S E 0.492 F E 0.517 K E 0.526 F E 0.477 D E 0.351 H H 0.405 L H 0.447 R H 0.48 K H 0.492 E H 0.435 A H 0.425 S C 0.496 D C 0.598 P C 0.572 Q C 0.568 P C 0.569 E C 0.529 D C 0.502 T C 0.455 E H 0.439 S H 0.495 A H 0.56 L H 0.668 K H 0.717 Q H 0.737 W H 0.735 R H 0.756 D H 0.766 A H 0.756 C H 0.746 D H 0.746 S H 0.767 A H 0.761 L H 0.751 R H 0.734 A H 0.724 Y H 0.69 V H 0.667 K H 0.62 D H 0.574 H C 0.448 Y C 0.567 P C 0.631 N C 0.651 G C 0.631 F C 0.531 C E 0.418 T E 0.522 V E 0.545 Y E 0.542 G E 0.507 K E 0.479 S E 0.442 I C 0.473 D C 0.604 G C 0.622 Q C 0.495 Q E 0.513 T E 0.628 I E 0.701 I E 0.73 A E 0.735 C E 0.728 I E 0.679 E E 0.523 S C 0.465 H C 0.554 Q C 0.522 F C 0.548 Q C 0.721 P C 0.702 K C 0.655 N C 0.559 F C 0.425 W C 0.411 N C 0.537 G C 0.552 R C 0.454 W E 0.55 R E 0.558 S E 0.561 E E 0.606 W E 0.666 K E 0.689 F E 0.68 T E 0.618 I E 0.503 T C 0.608 P C 0.687 P C 0.66 T C 0.526 A C 0.412 Q E 0.461 V E 0.54 A E 0.5 A E 0.53 V E 0.585 L E 0.677 K E 0.685 I E 0.687 Q E 0.677 V E 0.684 H E 0.68 Y E 0.699 Y E 0.641 E C 0.432 D C 0.59 G C 0.583 N E 0.473 V E 0.591 Q E 0.614 L E 0.604 V E 0.5 S C 0.425 H C 0.501 K C 0.522 D C 0.536 I C 0.44 Q C 0.424 D C 0.402 S C 0.425 V C 0.402 Q C 0.403 V C 0.393 S C 0.454 S C 0.558 D H 0.551 V H 0.583 Q H 0.618 T H 0.632 A H 0.72 K H 0.733 E H 0.736 F H 0.754 I H 0.755 K H 0.757 I H 0.768 I H 0.76 E H 0.75 N H 0.753 A H 0.75 E H 0.76 N H 0.759 E H 0.745 Y H 0.75 Q H 0.756 T H 0.753 A H 0.733 I H 0.712 S H 0.687 E H 0.687 N H 0.631 Y H 0.62 Q H 0.561 T H 0.504 M C 0.451 S C 0.565 D H 0.591 T H 0.616 T H 0.636 F H 0.701 K H 0.725 A H 0.713 L H 0.687 R H 0.635 R H 0.513 Q C 0.448 L C 0.594 P C 0.661 V C 0.469 T C 0.45 R C 0.42 T C 0.433 K C 0.394 I C 0.43 D C 0.553 W H 0.588 N H 0.578 K H 0.573 I H 0.493 L H 0.485 S H 0.442 Y H 0.447 K H 0.441 I H 0.451 G H 0.444 K H 0.52 E H 0.539 M H 0.555 Q H 0.481 N C 0.56 A C 0.847 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:50:18 2002 Date: Sun, 18 Aug 2002 06:50:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 Sun Aug 18 06:22:22 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_357320_26580 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS007_1 Current information on models submitted in prediction T0162TS007 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 casp5@bialko.llnl.gov T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1FJ2_A # Loading PARENT structure: 1fj2 (chain: A) # Number of residues in PARENT structure: 229 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue F 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue W 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue C 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue K 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue P 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue C 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 162 # IMPORTANT NOTE! Not complete main chain atoms for residue F 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue N 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue W 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue W 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue I 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue P 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue R 259 # IMPORTANT NOTE! Not complete main chain atoms for residue R 260 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 119 # Total number of atoms in model: 119 # Number of atoms with 1.0 occupancy: 119 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 119 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1FJ2_A ATOM 15 CA ASP 71 16.596 44.612 41.765 1.00 1.00 ATOM 16 CA ASP 72 16.702 47.781 39.669 1.00 1.00 ATOM 17 CA GLN 73 14.491 46.400 36.907 1.00 1.00 ATOM 18 CA VAL 74 11.911 43.650 36.282 1.00 1.00 ATOM 19 CA LEU 75 10.560 41.377 33.587 1.00 1.00 ATOM 20 CA ILE 76 6.914 40.322 33.885 1.00 1.00 ATOM 21 CA THR 77 6.430 37.264 31.681 1.00 1.00 ATOM 22 CA GLU 78 3.001 35.823 30.925 1.00 1.00 ATOM 23 CA HIS 79 2.562 32.173 30.059 1.00 1.00 ATOM 24 CA GLY 80 0.320 30.683 27.395 1.00 1.00 ATOM 25 CA ASP 81 -2.299 27.933 27.442 1.00 1.00 ATOM 26 CA LEU 82 -0.812 24.836 28.956 1.00 1.00 ATOM 27 CA GLY 83 2.678 26.080 29.766 1.00 1.00 ATOM 28 CA ASN 84 3.102 27.397 33.289 1.00 1.00 ATOM 29 CA GLY 85 4.516 30.288 35.307 1.00 1.00 ATOM 30 CA ARG 86 6.913 27.843 36.948 1.00 1.00 ATOM 31 CA PHE 87 8.199 26.497 33.652 1.00 1.00 ATOM 32 CA LEU 88 8.997 29.994 32.428 1.00 1.00 ATOM 33 CA ASP 89 10.666 30.935 35.709 1.00 1.00 ATOM 34 CA PRO 90 13.021 27.944 35.229 1.00 1.00 ATOM 35 CA LYS 93 13.722 29.098 31.654 1.00 1.00 ATOM 36 CA ILE 94 14.449 32.682 32.776 1.00 1.00 ATOM 37 CA SER 95 16.753 31.478 35.577 1.00 1.00 ATOM 38 CA PHE 96 19.044 30.325 32.752 1.00 1.00 ATOM 39 CA LYS 97 19.415 33.895 31.394 1.00 1.00 ATOM 68 CA PHE 98 -8.678 34.903 28.702 1.00 1.00 ATOM 69 CA ASP 99 -10.695 32.500 26.582 1.00 1.00 ATOM 70 CA HIS 100 -9.521 31.260 23.249 1.00 1.00 ATOM 71 CA LEU 101 -12.143 30.086 20.764 1.00 1.00 ATOM 72 CA ARG 102 -9.926 29.241 17.801 1.00 1.00 ATOM 73 CA LYS 103 -6.522 30.170 16.341 1.00 1.00 ATOM 74 CA GLU 104 -7.446 31.046 12.782 1.00 1.00 ATOM 75 CA ALA 105 -7.110 34.643 11.650 1.00 1.00 ATOM 76 CA SER 106 -10.873 34.696 11.463 1.00 1.00 ATOM 77 CA ASP 107 -11.527 33.388 14.963 1.00 1.00 ATOM 78 CA PRO 108 -13.808 35.304 17.346 1.00 1.00 ATOM 79 CA ASP 112 -11.861 36.699 20.309 1.00 1.00 ATOM 80 CA THR 113 -12.711 37.128 23.986 1.00 1.00 ATOM 81 CA GLU 114 -12.730 40.924 23.946 1.00 1.00 ATOM 82 CA SER 115 -14.028 41.466 27.467 1.00 1.00 ATOM 83 CA ALA 116 -11.697 38.851 28.925 1.00 1.00 ATOM 84 CA LEU 117 -8.698 40.402 27.140 1.00 1.00 ATOM 85 CA LYS 118 -9.518 43.870 28.472 1.00 1.00 ATOM 86 CA GLN 119 -10.088 42.485 31.967 1.00 1.00 ATOM 87 CA TRP 120 -6.782 40.629 31.848 1.00 1.00 ATOM 88 CA ARG 121 -5.052 43.792 30.623 1.00 1.00 ATOM 89 CA ASP 122 -6.369 45.699 33.657 1.00 1.00 ATOM 90 CA ALA 123 -4.963 43.007 35.978 1.00 1.00 ATOM 91 CA CYS 124 -1.570 43.153 34.221 1.00 1.00 ATOM 92 CA ASP 125 -1.528 46.945 34.600 1.00 1.00 ATOM 93 CA SER 126 -2.240 46.342 38.287 1.00 1.00 ATOM 94 CA ALA 127 0.680 43.953 38.460 1.00 1.00 ATOM 95 CA LEU 128 3.004 46.532 36.851 1.00 1.00 ATOM 96 CA ARG 129 1.702 49.083 39.335 1.00 1.00 ATOM 97 CA ALA 130 2.622 46.750 42.230 1.00 1.00 ATOM 98 CA TYR 131 6.232 46.773 40.968 1.00 1.00 ATOM 99 CA VAL 132 6.080 50.576 40.600 1.00 1.00 ATOM 100 CA LYS 133 4.877 50.911 44.203 1.00 1.00 ATOM 101 CA ASP 134 7.766 48.677 45.279 1.00 1.00 ATOM 102 CA HIS 135 10.371 51.062 43.825 1.00 1.00 ATOM 103 CA TYR 136 10.935 49.832 40.266 1.00 1.00 ATOM 104 CA PRO 137 9.758 52.432 37.736 1.00 1.00 ATOM 105 CA ASN 138 7.635 51.195 34.831 1.00 1.00 ATOM 106 CA GLY 139 10.355 52.356 32.382 1.00 1.00 ATOM 107 CA PHE 140 12.573 49.713 33.979 1.00 1.00 ATOM 108 CA CYS 141 10.023 46.937 33.325 1.00 1.00 ATOM 109 CA THR 142 9.752 44.714 30.247 1.00 1.00 ATOM 110 CA VAL 143 6.436 42.954 29.720 1.00 1.00 ATOM 111 CA TYR 144 6.443 39.765 27.648 1.00 1.00 ATOM 112 CA GLY 145 4.807 36.416 27.210 1.00 1.00 ATOM 113 CA LYS 146 4.242 33.268 25.183 1.00 1.00 ATOM 114 CA SER 147 1.226 32.640 22.884 1.00 1.00 ATOM 115 CA ILE 148 -1.919 34.134 24.527 1.00 1.00 ATOM 116 CA ASP 149 0.422 35.602 27.203 1.00 1.00 ATOM 117 CA GLY 150 2.449 37.332 24.466 1.00 1.00 ATOM 118 CA GLN 151 -0.726 38.537 22.841 1.00 1.00 ATOM 119 CA GLN 152 -1.742 39.974 26.191 1.00 1.00 ATOM 120 CA THR 153 1.647 41.627 26.670 1.00 1.00 ATOM 121 CA ILE 154 1.282 43.406 23.343 1.00 1.00 ATOM 122 CA ILE 155 -2.310 44.410 24.031 1.00 1.00 ATOM 123 CA ALA 156 -1.426 45.649 27.509 1.00 1.00 ATOM 124 CA CYS 157 1.677 47.623 26.474 1.00 1.00 ATOM 125 CA ILE 158 -0.131 49.318 23.551 1.00 1.00 ATOM 126 CA GLU 159 -3.093 50.391 25.674 1.00 1.00 ATOM 127 CA SER 160 -1.525 51.478 28.984 1.00 1.00 ATOM 128 CA HIS 161 -0.192 54.906 29.805 1.00 1.00 ATOM 129 CA GLN 162 2.473 53.238 31.946 1.00 1.00 ATOM 130 CA PHE 163 5.739 53.804 30.009 1.00 1.00 ATOM 131 CA GLN 164 7.463 50.426 29.702 1.00 1.00 ATOM 132 CA PRO 165 11.002 49.509 28.716 1.00 1.00 ATOM 133 CA LYS 166 10.081 46.953 26.037 1.00 1.00 ATOM 134 CA ASN 167 8.021 43.942 25.131 1.00 1.00 ATOM 135 CA PHE 168 9.052 40.382 24.275 1.00 1.00 ATOM 136 CA TRP 169 6.252 38.723 22.332 1.00 1.00 ATOM 137 CA ASN 170 6.874 35.031 21.679 1.00 1.00 ATOM 138 CA GLY 171 4.843 32.826 19.284 1.00 1.00 ATOM 139 CA ARG 172 1.778 35.069 19.486 1.00 1.00 ATOM 140 CA TRP 173 -0.522 37.571 17.795 1.00 1.00 ATOM 141 CA ARG 174 -1.979 41.025 18.473 1.00 1.00 ATOM 142 CA SER 175 -5.441 40.492 19.980 1.00 1.00 ATOM 143 CA GLU 176 -8.376 42.627 18.776 1.00 1.00 ATOM 144 CA TRP 177 -6.210 43.846 15.904 1.00 1.00 ATOM 145 CA LYS 178 -9.044 45.547 14.060 1.00 1.00 ATOM 146 CA PHE 179 -9.718 47.758 17.159 1.00 1.00 ATOM 147 CA THR 180 -6.303 49.407 16.795 1.00 1.00 ATOM 148 CA ILE 181 -5.548 52.515 14.752 1.00 1.00 ATOM 149 CA THR 182 -4.511 52.087 11.098 1.00 1.00 ATOM 150 CA PRO 183 -1.485 54.309 11.912 1.00 1.00 ATOM 151 CA PRO 184 0.424 55.188 15.069 1.00 1.00 ATOM 152 CA THR 185 -1.126 54.642 18.478 1.00 1.00 ATOM 153 CA ALA 186 0.585 57.560 20.250 1.00 1.00 ATOM 154 CA ALA 257 0.580 57.764 24.080 1.00 1.00 ATOM 155 CA LEU 258 3.261 56.569 26.443 1.00 1.00 ATOM 156 CA ARG 259 4.589 53.515 24.563 1.00 1.00 ATOM 157 CA ARG 260 4.685 55.036 21.080 1.00 1.00 ATOM 158 CA GLN 261 8.462 54.473 20.878 1.00 1.00 ATOM 159 CA LEU 262 8.596 51.135 22.765 1.00 1.00 ATOM 160 CA PRO 263 11.064 48.457 21.733 1.00 1.00 ATOM 161 CA VAL 264 9.504 45.150 20.727 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:50:28 2002 Date: Sun, 18 Aug 2002 06:50:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 Sun Aug 18 06:22:42 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_355904_26581 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS007_2 Current information on models submitted in prediction T0162TS007 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1QH3_A # Loading PARENT structure: 1qh3 (chain: A) # Number of residues in PARENT structure: 260 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue N 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue P 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue F 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 68 # Total number of atoms in model: 68 # Number of atoms with 1.0 occupancy: 68 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 68 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1QH3_A ATOM 64 CA GLY 27 -4.498 66.529 30.660 1.00 1.00 ATOM 65 CA GLU 28 -8.181 66.943 31.521 1.00 1.00 ATOM 66 CA PHE 29 -7.827 70.617 32.401 1.00 1.00 ATOM 67 CA ASN 30 -6.184 71.397 29.062 1.00 1.00 ATOM 68 CA GLU 31 -9.176 69.602 27.507 1.00 1.00 ATOM 69 CA VAL 32 -11.621 71.812 29.414 1.00 1.00 ATOM 70 CA PHE 33 -9.666 75.019 28.759 1.00 1.00 ATOM 71 CA ASN 34 -7.818 76.231 25.674 1.00 1.00 ATOM 72 CA ASP 35 -4.618 78.215 25.331 1.00 1.00 ATOM 73 CA VAL 36 -3.274 77.118 28.711 1.00 1.00 ATOM 74 CA ARG 37 0.453 77.330 29.389 1.00 1.00 ATOM 75 CA LEU 38 1.413 74.306 31.538 1.00 1.00 ATOM 76 CA LEU 39 4.670 74.510 33.489 1.00 1.00 ATOM 77 CA LEU 40 6.585 71.796 35.355 1.00 1.00 ATOM 78 CA ASN 41 10.183 70.684 35.902 1.00 1.00 ATOM 79 CA ASN 42 9.705 67.000 35.125 1.00 1.00 ATOM 80 CA ASP 43 8.949 65.172 31.852 1.00 1.00 ATOM 81 CA ASN 44 6.580 62.831 33.707 1.00 1.00 ATOM 82 CA HIS 52 4.172 65.726 34.172 1.00 1.00 ATOM 83 CA ALA 53 1.277 65.511 31.724 1.00 1.00 ATOM 84 CA PHE 54 0.266 68.177 29.235 1.00 1.00 ATOM 85 CA ALA 55 3.354 70.353 29.681 1.00 1.00 ATOM 86 CA GLN 56 3.825 73.243 27.253 1.00 1.00 ATOM 87 CA TYR 57 6.920 74.579 29.022 1.00 1.00 ATOM 88 CA ASN 58 9.617 72.666 30.909 1.00 1.00 ATOM 89 CA MET 59 11.221 74.900 33.525 1.00 1.00 ATOM 90 CA ASP 60 14.200 74.549 35.829 1.00 1.00 ATOM 91 CA GLN 61 15.947 76.256 38.721 1.00 1.00 ATOM 92 CA PHE 62 15.470 80.024 38.464 1.00 1.00 ATOM 93 CA THR 63 13.140 79.972 35.463 1.00 1.00 ATOM 94 CA PRO 64 10.890 83.031 35.497 1.00 1.00 ATOM 95 CA VAL 65 7.456 83.718 34.029 1.00 1.00 ATOM 96 CA LYS 66 4.507 86.041 34.521 1.00 1.00 ATOM 97 CA ILE 67 0.884 85.510 35.465 1.00 1.00 ATOM 98 CA GLU 68 -0.784 88.808 34.527 1.00 1.00 ATOM 99 CA GLY 69 1.056 91.442 36.596 1.00 1.00 ATOM 100 CA TYR 70 2.484 88.746 38.888 1.00 1.00 ATOM 101 CA ASP 71 6.089 87.539 38.760 1.00 1.00 ATOM 102 CA ASP 72 6.787 83.815 39.174 1.00 1.00 ATOM 103 CA GLN 73 10.160 82.328 39.992 1.00 1.00 ATOM 104 CA VAL 74 10.769 78.602 39.765 1.00 1.00 ATOM 105 CA LEU 75 12.909 76.962 42.444 1.00 1.00 ATOM 106 CA ILE 76 14.239 73.428 41.922 1.00 1.00 ATOM 107 CA THR 77 13.919 71.354 45.093 1.00 1.00 ATOM 108 CA GLU 78 14.796 67.795 44.086 1.00 1.00 ATOM 109 CA HIS 79 14.330 65.074 46.699 1.00 1.00 ATOM 110 CA GLY 80 10.701 64.011 47.126 1.00 1.00 ATOM 111 CA ASP 81 10.851 63.760 43.354 1.00 1.00 ATOM 112 CA LEU 82 13.829 64.571 41.127 1.00 1.00 ATOM 113 CA GLY 83 11.825 67.123 39.124 1.00 1.00 ATOM 114 CA ASN 84 10.005 68.862 41.965 1.00 1.00 ATOM 115 CA GLY 85 9.596 72.612 41.606 1.00 1.00 ATOM 116 CA ARG 86 8.469 75.180 44.191 1.00 1.00 ATOM 117 CA PHE 87 6.912 78.385 42.730 1.00 1.00 ATOM 118 CA LEU 88 7.757 81.755 44.310 1.00 1.00 ATOM 119 CA ASP 89 5.151 84.364 43.437 1.00 1.00 ATOM 120 CA PRO 90 5.552 88.062 44.090 1.00 1.00 ATOM 121 CA ARG 91 4.063 91.407 43.056 1.00 1.00 ATOM 122 CA ASN 92 6.508 94.157 42.070 1.00 1.00 ATOM 123 CA LYS 93 7.003 97.032 44.504 1.00 1.00 ATOM 129 CA ILE 94 4.034 83.391 48.371 1.00 1.00 ATOM 130 CA SER 95 5.780 80.062 47.800 1.00 1.00 ATOM 131 CA PHE 96 3.867 76.979 46.559 1.00 1.00 ATOM 132 CA LYS 97 5.868 74.047 47.924 1.00 1.00 ATOM 133 CA PHE 98 4.055 70.895 46.819 1.00 1.00 ATOM 134 CA ASP 99 5.313 67.863 48.733 1.00 1.00 ATOM 135 CA HIS 100 8.717 69.364 49.596 1.00 1.00 ATOM 136 CA LEU 101 7.862 71.639 52.538 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:51:28 2002 Date: Sun, 18 Aug 2002 06:51:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 Sun Aug 18 06:23:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_379375_26584 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS007_3 Current information on models submitted in prediction T0162TS007 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_3 PIN_379375_26584 6269-7633-6117 08/18/02 06:23:36 casp5@bialko.llnl.gov T0162TS007_4 PIN_358623_26582 6269-7633-6117 08/18/02 06:23:00 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_3 PIN_379375_26584 6269-7633-6117 08/18/02 06:23:36 casp5@bialko.llnl.gov T0162TS007_4 PIN_358623_26582 6269-7633-6117 08/18/02 06:23:00 casp5@bialko.llnl.gov T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1AB4 # Loading PARENT structure: 1ab4 (chain: ) # Number of residues in PARENT structure: 477 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue E 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue P 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue N 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue P 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue F 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue W 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue C 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue K 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue P 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue C 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 162 # IMPORTANT NOTE! Not complete main chain atoms for residue F 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue N 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue W 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue W 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue I 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue P 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 186 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 195 # IMPORTANT NOTE! Not complete main chain atoms for residue V 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 199 # IMPORTANT NOTE! Not complete main chain atoms for residue E 200 # IMPORTANT NOTE! Not complete main chain atoms for residue D 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue H 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue S 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # IMPORTANT NOTE! Not complete main chain atoms for residue S 219 # IMPORTANT NOTE! Not complete main chain atoms for residue S 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue A 225 # IMPORTANT NOTE! Not complete main chain atoms for residue K 226 # IMPORTANT NOTE! Not complete main chain atoms for residue E 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue K 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue I 232 # IMPORTANT NOTE! Not complete main chain atoms for residue E 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue A 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue E 238 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue T 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue I 243 # IMPORTANT NOTE! Not complete main chain atoms for residue S 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 248 # IMPORTANT NOTE! Not complete main chain atoms for residue T 249 # IMPORTANT NOTE! Not complete main chain atoms for residue M 250 # IMPORTANT NOTE! Not complete main chain atoms for residue S 251 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue K 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue R 259 # IMPORTANT NOTE! Not complete main chain atoms for residue R 260 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue V 264 # IMPORTANT NOTE! Not complete main chain atoms for residue T 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue K 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue D 270 # IMPORTANT NOTE! Not complete main chain atoms for residue W 271 # IMPORTANT NOTE! Not complete main chain atoms for residue N 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue I 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue S 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 277 # IMPORTANT NOTE! Not complete main chain atoms for residue K 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue G 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue E 282 # IMPORTANT NOTE! Not complete main chain atoms for residue M 283 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 284 # IMPORTANT NOTE! Not complete main chain atoms for residue N 285 # IMPORTANT NOTE! Not complete main chain atoms for residue A 286 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 278 # Total number of atoms in model: 278 # Number of atoms with 1.0 occupancy: 278 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 278 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1AB4 ATOM 135 CA MET 1 58.494 79.541 48.405 1.00 1.00 ATOM 136 CA ALA 2 59.288 81.525 51.525 1.00 1.00 ATOM 137 CA ASP 3 56.649 80.785 54.210 1.00 1.00 ATOM 138 CA PHE 4 54.972 78.155 52.013 1.00 1.00 ATOM 139 CA GLU 5 54.631 76.126 55.228 1.00 1.00 ATOM 140 CA ASP 6 52.886 78.847 57.302 1.00 1.00 ATOM 141 CA ARG 7 49.479 78.313 55.558 1.00 1.00 ATOM 142 CA VAL 8 49.984 81.462 53.447 1.00 1.00 ATOM 143 CA SER 9 48.505 80.115 50.177 1.00 1.00 ATOM 144 CA ASP 10 45.667 77.826 49.101 1.00 1.00 ATOM 145 CA GLU 11 46.450 74.218 48.142 1.00 1.00 ATOM 146 CA GLU 12 44.806 72.253 45.349 1.00 1.00 ATOM 147 CA LYS 13 44.806 68.469 44.827 1.00 1.00 ATOM 172 CA VAL 14 56.186 83.768 27.051 1.00 1.00 ATOM 173 CA ARG 15 53.582 81.641 25.318 1.00 1.00 ATOM 174 CA ILE 16 51.537 81.501 22.125 1.00 1.00 ATOM 175 CA ALA 17 48.374 79.511 22.756 1.00 1.00 ATOM 176 CA ALA 18 44.685 79.557 21.789 1.00 1.00 ATOM 177 CA LYS 19 44.022 83.298 22.064 1.00 1.00 ATOM 178 CA PHE 20 45.831 83.052 25.408 1.00 1.00 ATOM 179 CA ILE 21 49.254 84.344 24.389 1.00 1.00 ATOM 180 CA THR 22 51.690 86.300 26.585 1.00 1.00 ATOM 181 CA HIS 23 55.034 88.052 26.205 1.00 1.00 ATOM 182 CA ALA 24 56.346 89.744 29.346 1.00 1.00 ATOM 183 CA PRO 25 60.086 90.506 29.187 1.00 1.00 ATOM 184 CA PRO 26 62.537 90.225 32.115 1.00 1.00 ATOM 185 CA GLY 27 63.345 93.194 34.384 1.00 1.00 ATOM 186 CA GLU 28 65.975 94.277 36.910 1.00 1.00 ATOM 187 CA PHE 29 65.061 93.161 40.443 1.00 1.00 ATOM 188 CA ASN 30 66.522 96.275 42.098 1.00 1.00 ATOM 189 CA GLU 31 64.430 98.422 39.749 1.00 1.00 ATOM 190 CA VAL 32 61.228 96.430 40.154 1.00 1.00 ATOM 191 CA PHE 33 61.610 96.516 43.946 1.00 1.00 ATOM 192 CA ASN 34 61.998 100.298 44.025 1.00 1.00 ATOM 193 CA ASP 35 58.973 100.434 41.763 1.00 1.00 ATOM 194 CA VAL 36 57.106 98.285 44.286 1.00 1.00 ATOM 195 CA ARG 37 58.229 100.443 47.213 1.00 1.00 ATOM 196 CA LEU 38 57.201 103.588 45.302 1.00 1.00 ATOM 197 CA LEU 39 53.733 102.165 44.641 1.00 1.00 ATOM 198 CA LEU 40 53.432 101.411 48.362 1.00 1.00 ATOM 199 CA ASN 41 54.507 104.929 49.328 1.00 1.00 ATOM 200 CA ASN 42 51.884 106.468 46.992 1.00 1.00 ATOM 201 CA ASP 43 49.175 104.285 45.454 1.00 1.00 ATOM 202 CA ASN 44 48.082 107.020 43.031 1.00 1.00 ATOM 203 CA LEU 45 51.500 106.918 41.365 1.00 1.00 ATOM 204 CA LEU 46 51.538 107.228 37.579 1.00 1.00 ATOM 205 CA ARG 47 53.136 104.886 35.050 1.00 1.00 ATOM 206 CA GLU 48 55.689 107.654 34.459 1.00 1.00 ATOM 207 CA GLY 49 56.598 107.870 38.146 1.00 1.00 ATOM 208 CA ALA 50 56.825 104.086 38.082 1.00 1.00 ATOM 209 CA ALA 51 59.199 104.273 35.093 1.00 1.00 ATOM 210 CA HIS 52 61.406 106.538 37.206 1.00 1.00 ATOM 211 CA ALA 53 62.613 103.253 38.718 1.00 1.00 ATOM 212 CA PHE 54 61.736 100.778 35.952 1.00 1.00 ATOM 213 CA ALA 55 62.813 102.472 32.678 1.00 1.00 ATOM 214 CA GLN 56 62.361 99.278 30.678 1.00 1.00 ATOM 215 CA TYR 57 63.050 95.526 30.368 1.00 1.00 ATOM 216 CA ASN 58 66.363 93.987 31.345 1.00 1.00 ATOM 217 CA MET 59 67.377 90.849 29.504 1.00 1.00 ATOM 218 CA ASP 60 69.812 88.253 30.932 1.00 1.00 ATOM 219 CA GLN 61 71.757 88.219 27.658 1.00 1.00 ATOM 220 CA PHE 62 70.565 91.054 25.420 1.00 1.00 ATOM 221 CA THR 63 72.444 94.317 25.193 1.00 1.00 ATOM 222 CA PRO 64 70.318 97.150 23.879 1.00 1.00 ATOM 223 CA VAL 65 66.786 98.436 23.339 1.00 1.00 ATOM 224 CA LYS 66 66.256 101.428 21.029 1.00 1.00 ATOM 225 CA ILE 67 62.535 102.116 20.894 1.00 1.00 ATOM 226 CA GLU 68 61.911 103.741 24.283 1.00 1.00 ATOM 227 CA GLY 69 58.314 104.707 23.395 1.00 1.00 ATOM 228 CA TYR 70 57.363 101.071 22.893 1.00 1.00 ATOM 229 CA ASP 71 58.181 100.511 26.553 1.00 1.00 ATOM 230 CA ASP 72 56.205 103.545 27.715 1.00 1.00 ATOM 231 CA GLN 73 53.323 102.238 25.607 1.00 1.00 ATOM 232 CA VAL 74 53.643 98.637 26.827 1.00 1.00 ATOM 233 CA LEU 75 53.805 99.711 30.458 1.00 1.00 ATOM 234 CA ILE 76 50.938 102.172 30.015 1.00 1.00 ATOM 235 CA THR 77 48.551 99.705 28.353 1.00 1.00 ATOM 236 CA GLU 78 50.096 96.246 28.589 1.00 1.00 ATOM 237 CA HIS 79 51.053 96.055 24.899 1.00 1.00 ATOM 238 CA GLY 80 53.887 97.563 22.874 1.00 1.00 ATOM 239 CA ASP 81 56.491 96.514 20.312 1.00 1.00 ATOM 240 CA LEU 82 60.099 97.180 21.271 1.00 1.00 ATOM 241 CA GLY 83 63.396 96.683 19.393 1.00 1.00 ATOM 242 CA ASN 84 66.333 94.721 20.763 1.00 1.00 ATOM 243 CA GLY 85 69.648 95.129 18.968 1.00 1.00 ATOM 244 CA ARG 86 73.072 93.506 19.299 1.00 1.00 ATOM 245 CA PHE 87 75.923 95.461 20.891 1.00 1.00 ATOM 246 CA LEU 88 78.456 95.501 18.047 1.00 1.00 ATOM 247 CA ASP 89 81.371 97.656 16.893 1.00 1.00 ATOM 248 CA PRO 90 83.994 97.860 14.138 1.00 1.00 ATOM 249 CA ARG 91 87.762 97.643 14.671 1.00 1.00 ATOM 250 CA ASN 92 90.657 98.958 12.588 1.00 1.00 ATOM 257 CA LYS 93 87.866 96.405 9.325 1.00 1.00 ATOM 258 CA ILE 94 86.128 93.792 11.507 1.00 1.00 ATOM 259 CA SER 95 82.656 93.743 13.086 1.00 1.00 ATOM 260 CA PHE 96 82.675 91.928 16.419 1.00 1.00 ATOM 261 CA LYS 97 79.410 91.323 18.239 1.00 1.00 ATOM 262 CA PHE 98 79.898 91.015 22.026 1.00 1.00 ATOM 263 CA ASP 99 76.228 90.449 22.912 1.00 1.00 ATOM 264 CA HIS 100 73.101 89.675 20.872 1.00 1.00 ATOM 265 CA LEU 101 69.280 90.082 21.352 1.00 1.00 ATOM 266 CA ARG 102 67.285 88.051 23.885 1.00 1.00 ATOM 267 CA LYS 103 66.132 84.558 22.784 1.00 1.00 ATOM 268 CA GLU 104 68.290 84.383 19.663 1.00 1.00 ATOM 269 CA ALA 105 70.333 81.301 18.776 1.00 1.00 ATOM 270 CA SER 106 73.893 82.517 18.111 1.00 1.00 ATOM 271 CA ASP 107 74.488 79.504 15.844 1.00 1.00 ATOM 272 CA PRO 108 71.351 80.085 13.724 1.00 1.00 ATOM 273 CA GLN 109 72.496 83.704 13.441 1.00 1.00 ATOM 274 CA PRO 110 76.001 82.918 12.168 1.00 1.00 ATOM 275 CA GLU 111 74.324 80.598 9.659 1.00 1.00 ATOM 276 CA ASP 112 71.732 83.252 8.769 1.00 1.00 ATOM 277 CA THR 113 74.544 85.685 7.955 1.00 1.00 ATOM 278 CA GLU 114 76.384 82.919 6.115 1.00 1.00 ATOM 279 CA SER 115 73.548 82.007 3.724 1.00 1.00 ATOM 280 CA ALA 116 73.104 85.723 3.095 1.00 1.00 ATOM 281 CA LEU 117 76.733 86.469 2.221 1.00 1.00 ATOM 282 CA LYS 118 76.602 83.400 -0.043 1.00 1.00 ATOM 283 CA GLN 119 73.493 84.657 -1.872 1.00 1.00 ATOM 284 CA TRP 120 75.090 88.122 -1.672 1.00 1.00 ATOM 285 CA ARG 121 71.906 89.440 -0.015 1.00 1.00 ATOM 286 CA ASP 122 74.202 91.184 2.461 1.00 1.00 ATOM 287 CA ALA 123 76.227 93.584 0.290 1.00 1.00 ATOM 288 CA CYS 124 79.730 92.188 0.802 1.00 1.00 ATOM 289 CA ASP 125 81.422 90.215 3.581 1.00 1.00 ATOM 290 CA SER 126 84.879 88.607 3.816 1.00 1.00 ATOM 291 CA ALA 127 85.255 85.812 6.395 1.00 1.00 ATOM 292 CA LEU 128 82.804 84.805 9.127 1.00 1.00 ATOM 293 CA ARG 129 84.142 83.319 12.366 1.00 1.00 ATOM 294 CA ALA 130 82.569 82.505 15.741 1.00 1.00 ATOM 295 CA TYR 131 85.266 83.063 18.363 1.00 1.00 ATOM 296 CA VAL 132 82.868 82.811 21.313 1.00 1.00 ATOM 297 CA LYS 133 84.793 81.321 24.242 1.00 1.00 ATOM 298 CA ASP 134 83.787 80.850 27.895 1.00 1.00 ATOM 299 CA HIS 135 84.684 84.314 29.206 1.00 1.00 ATOM 300 CA TYR 136 82.708 86.291 26.614 1.00 1.00 ATOM 301 CA PRO 137 81.242 86.218 23.096 1.00 1.00 ATOM 302 CA ASN 138 82.786 86.927 19.683 1.00 1.00 ATOM 303 CA GLY 139 80.782 86.844 16.442 1.00 1.00 ATOM 304 CA PHE 140 83.613 87.994 14.181 1.00 1.00 ATOM 305 CA CYS 141 82.712 89.192 10.695 1.00 1.00 ATOM 306 CA THR 142 85.106 91.018 8.336 1.00 1.00 ATOM 313 CA GLY 150 83.106 99.670 6.738 1.00 1.00 ATOM 314 CA GLN 151 80.392 100.379 9.302 1.00 1.00 ATOM 315 CA GLN 152 78.022 100.226 6.340 1.00 1.00 ATOM 316 CA THR 153 78.397 96.449 6.646 1.00 1.00 ATOM 317 CA ILE 154 77.155 96.472 10.253 1.00 1.00 ATOM 318 CA ILE 155 74.065 98.637 9.604 1.00 1.00 ATOM 319 CA ALA 156 72.999 96.682 6.519 1.00 1.00 ATOM 320 CA CYS 157 73.557 93.569 8.628 1.00 1.00 ATOM 321 CA ILE 158 71.158 94.715 11.381 1.00 1.00 ATOM 322 CA GLU 159 68.333 95.284 8.876 1.00 1.00 ATOM 323 CA SER 160 68.588 91.781 7.376 1.00 1.00 ATOM 324 CA HIS 161 69.790 89.616 10.278 1.00 1.00 ATOM 325 CA GLN 162 68.782 88.627 13.807 1.00 1.00 ATOM 326 CA PHE 163 71.220 91.235 15.154 1.00 1.00 ATOM 327 CA GLN 164 68.060 93.260 15.690 1.00 1.00 ATOM 328 CA PRO 165 64.745 91.780 16.763 1.00 1.00 ATOM 329 CA LYS 166 61.292 93.104 17.576 1.00 1.00 ATOM 330 CA ASN 167 59.540 92.218 20.808 1.00 1.00 ATOM 331 CA PHE 168 55.785 92.558 20.805 1.00 1.00 ATOM 332 CA TRP 169 55.288 93.068 24.543 1.00 1.00 ATOM 333 CA ASN 170 51.982 91.450 25.483 1.00 1.00 ATOM 334 CA GLY 171 51.464 91.545 29.245 1.00 1.00 ATOM 335 CA ARG 172 48.745 88.913 29.711 1.00 1.00 ATOM 336 CA TRP 173 48.589 86.867 32.911 1.00 1.00 ATOM 337 CA ARG 174 46.231 85.077 35.310 1.00 1.00 ATOM 338 CA SER 175 44.624 87.641 37.637 1.00 1.00 ATOM 339 CA GLU 176 41.841 86.568 40.047 1.00 1.00 ATOM 340 CA TRP 177 41.749 83.307 38.115 1.00 1.00 ATOM 341 CA LYS 178 41.141 85.190 34.872 1.00 1.00 ATOM 342 CA PHE 179 43.146 86.308 31.771 1.00 1.00 ATOM 343 CA THR 180 44.023 89.996 31.771 1.00 1.00 ATOM 344 CA ILE 181 45.957 92.543 29.773 1.00 1.00 ATOM 345 CA THR 182 47.611 94.275 32.706 1.00 1.00 ATOM 346 CA PRO 183 49.843 97.342 32.666 1.00 1.00 ATOM 347 CA PRO 184 53.041 97.901 34.702 1.00 1.00 ATOM 348 CA THR 185 51.096 99.256 37.678 1.00 1.00 ATOM 349 CA ALA 186 48.456 96.495 37.528 1.00 1.00 ATOM 350 CA GLN 187 51.258 93.947 37.723 1.00 1.00 ATOM 351 CA VAL 188 53.021 95.691 40.627 1.00 1.00 ATOM 352 CA ALA 189 49.728 96.283 42.443 1.00 1.00 ATOM 353 CA ALA 190 49.016 92.566 42.056 1.00 1.00 ATOM 354 CA VAL 191 52.313 91.669 43.690 1.00 1.00 ATOM 355 CA LEU 192 51.972 94.053 46.634 1.00 1.00 ATOM 356 CA LYS 193 48.392 92.882 47.336 1.00 1.00 ATOM 357 CA ILE 194 49.701 89.309 47.342 1.00 1.00 ATOM 358 CA GLN 195 52.422 90.251 49.816 1.00 1.00 ATOM 359 CA VAL 196 49.626 91.792 51.911 1.00 1.00 ATOM 360 CA HIS 197 47.589 88.558 52.017 1.00 1.00 ATOM 361 CA TYR 198 50.666 86.360 52.524 1.00 1.00 ATOM 362 CA TYR 199 52.072 88.377 55.439 1.00 1.00 ATOM 363 CA GLU 200 48.619 88.566 57.048 1.00 1.00 ATOM 364 CA ASP 201 47.983 84.826 56.601 1.00 1.00 ATOM 365 CA GLY 202 51.475 84.218 57.937 1.00 1.00 ATOM 366 CA ASN 203 50.797 86.415 60.944 1.00 1.00 ATOM 367 CA VAL 204 47.514 84.614 61.666 1.00 1.00 ATOM 368 CA GLN 205 49.355 81.266 61.513 1.00 1.00 ATOM 369 CA LEU 206 52.339 82.276 63.663 1.00 1.00 ATOM 370 CA VAL 207 49.777 83.534 66.200 1.00 1.00 ATOM 371 CA HIS 209 47.801 80.250 66.333 1.00 1.00 ATOM 372 CA LYS 210 51.000 78.193 66.323 1.00 1.00 ATOM 373 CA ASP 211 52.214 80.381 69.195 1.00 1.00 ATOM 374 CA ILE 212 49.117 79.845 71.348 1.00 1.00 ATOM 375 CA GLN 213 49.127 76.085 70.781 1.00 1.00 ATOM 376 CA ASP 214 52.771 75.746 71.860 1.00 1.00 ATOM 377 CA SER 215 52.429 77.954 74.945 1.00 1.00 ATOM 378 CA VAL 216 49.429 75.770 75.822 1.00 1.00 ATOM 379 CA GLN 217 51.467 72.566 75.559 1.00 1.00 ATOM 380 CA VAL 218 54.215 74.275 77.507 1.00 1.00 ATOM 381 CA SER 219 51.836 75.229 80.337 1.00 1.00 ATOM 382 CA SER 220 50.911 71.598 80.960 1.00 1.00 ATOM 383 CA ASP 221 54.555 70.526 80.711 1.00 1.00 ATOM 384 CA VAL 222 55.680 73.274 83.104 1.00 1.00 ATOM 385 CA GLN 223 52.897 72.261 85.511 1.00 1.00 ATOM 386 CA THR 224 53.768 68.573 85.079 1.00 1.00 ATOM 387 CA ALA 225 57.422 69.139 86.019 1.00 1.00 ATOM 388 CA LYS 226 56.590 71.386 89.023 1.00 1.00 ATOM 389 CA GLU 227 54.917 68.339 90.616 1.00 1.00 ATOM 390 CA PHE 228 56.775 65.381 89.141 1.00 1.00 ATOM 391 CA ILE 229 56.529 63.134 92.196 1.00 1.00 ATOM 392 CA LYS 230 52.703 63.072 92.269 1.00 1.00 ATOM 393 CA ILE 231 52.724 62.855 88.434 1.00 1.00 ATOM 394 CA ILE 232 55.067 59.829 88.392 1.00 1.00 ATOM 395 CA GLU 233 53.132 58.184 91.244 1.00 1.00 ATOM 396 CA ASN 234 49.926 58.357 89.205 1.00 1.00 ATOM 397 CA ALA 235 51.652 56.948 86.126 1.00 1.00 ATOM 398 CA GLU 236 53.549 54.125 87.843 1.00 1.00 ATOM 399 CA ASN 237 50.278 52.906 89.386 1.00 1.00 ATOM 454 CA GLU 238 47.964 68.189 77.416 1.00 1.00 ATOM 455 CA TYR 239 47.845 64.935 79.372 1.00 1.00 ATOM 456 CA GLN 240 49.196 62.966 76.427 1.00 1.00 ATOM 457 CA THR 241 52.044 65.475 76.058 1.00 1.00 ATOM 458 CA ALA 242 52.926 64.843 79.697 1.00 1.00 ATOM 459 CA ILE 243 52.618 61.098 79.060 1.00 1.00 ATOM 460 CA SER 244 54.874 61.344 76.024 1.00 1.00 ATOM 461 CA GLU 245 57.504 63.164 78.116 1.00 1.00 ATOM 462 CA ASN 246 60.953 61.627 77.842 1.00 1.00 ATOM 463 CA TYR 247 62.852 60.986 81.083 1.00 1.00 ATOM 464 CA GLN 248 65.769 63.160 79.898 1.00 1.00 ATOM 465 CA THR 249 63.353 66.106 79.890 1.00 1.00 ATOM 466 CA MET 250 63.263 65.929 83.700 1.00 1.00 ATOM 467 CA SER 251 66.863 67.221 83.939 1.00 1.00 ATOM 468 CA ASP 252 67.812 70.801 84.878 1.00 1.00 ATOM 469 CA THR 253 68.590 72.183 81.390 1.00 1.00 ATOM 470 CA THR 254 65.716 70.596 79.449 1.00 1.00 ATOM 471 CA PHE 255 63.372 72.075 82.075 1.00 1.00 ATOM 472 CA LYS 256 64.448 75.706 81.499 1.00 1.00 ATOM 473 CA ALA 257 64.194 75.407 77.707 1.00 1.00 ATOM 474 CA LEU 258 60.445 74.856 78.062 1.00 1.00 ATOM 475 CA ARG 259 60.049 77.778 80.483 1.00 1.00 ATOM 476 CA ARG 260 62.198 80.154 78.406 1.00 1.00 ATOM 477 CA GLN 261 60.394 79.141 75.210 1.00 1.00 ATOM 478 CA LEU 262 57.112 79.927 76.956 1.00 1.00 ATOM 479 CA PRO 263 58.271 83.406 77.986 1.00 1.00 ATOM 480 CA VAL 264 59.471 84.103 74.428 1.00 1.00 ATOM 481 CA THR 265 56.075 83.204 72.964 1.00 1.00 ATOM 482 CA ARG 266 54.303 85.744 75.170 1.00 1.00 ATOM 483 CA THR 267 56.523 88.476 73.689 1.00 1.00 ATOM 484 CA LYS 268 55.967 86.976 70.262 1.00 1.00 ATOM 485 CA ILE 269 52.158 86.745 70.371 1.00 1.00 ATOM 486 CA ASP 270 51.875 90.336 71.614 1.00 1.00 ATOM 487 CA TRP 271 54.039 91.363 68.647 1.00 1.00 ATOM 488 CA ASN 272 51.932 89.421 66.132 1.00 1.00 ATOM 489 CA LYS 273 48.823 91.027 67.616 1.00 1.00 ATOM 490 CA ILE 274 50.585 94.387 67.442 1.00 1.00 ATOM 491 CA LEU 275 51.037 93.601 63.745 1.00 1.00 ATOM 512 CA SER 276 70.882 90.302 48.938 1.00 1.00 ATOM 513 CA TYR 277 69.515 89.664 45.429 1.00 1.00 ATOM 514 CA LYS 278 69.483 92.964 43.572 1.00 1.00 ATOM 515 CA ILE 279 72.142 93.348 40.889 1.00 1.00 ATOM 516 CA GLY 280 73.297 95.602 38.018 1.00 1.00 ATOM 517 CA LYS 281 71.331 96.334 34.845 1.00 1.00 ATOM 518 CA GLU 282 72.309 94.527 31.656 1.00 1.00 ATOM 519 CA MET 283 70.199 95.740 28.720 1.00 1.00 ATOM 520 CA GLN 284 70.943 99.396 27.816 1.00 1.00 ATOM 521 CA ASN 285 68.007 101.720 27.013 1.00 1.00 ATOM 522 CA ALA 286 68.352 104.479 24.373 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:51:07 2002 Date: Sun, 18 Aug 2002 06:51:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 Sun Aug 18 06:23:00 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_358623_26582 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS007_4 Current information on models submitted in prediction T0162TS007 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_4 PIN_358623_26582 6269-7633-6117 08/18/02 06:23:00 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_4 PIN_358623_26582 6269-7633-6117 08/18/02 06:23:00 casp5@bialko.llnl.gov T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1DT9_A # Loading PARENT structure: 1dt9 (chain: A) # Number of residues in PARENT structure: 398 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue E 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 6 # IMPORTANT NOTE! Not complete main chain atoms for residue R 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue S 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue A 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue I 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 22 # Total number of atoms in model: 22 # Number of atoms with 1.0 occupancy: 22 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 22 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1DT9_A ATOM 240 CA ALA 2 58.425 57.254 107.535 1.00 1.00 ATOM 241 CA ASP 3 55.178 58.912 108.635 1.00 1.00 ATOM 242 CA PHE 4 54.562 56.083 111.141 1.00 1.00 ATOM 243 CA GLU 5 57.611 54.276 112.634 1.00 1.00 ATOM 244 CA ASP 6 59.574 55.704 115.571 1.00 1.00 ATOM 245 CA ARG 7 59.571 52.971 118.225 1.00 1.00 ATOM 246 CA VAL 8 56.162 51.814 116.959 1.00 1.00 ATOM 400 CA SER 9 62.446 19.752 128.699 1.00 1.00 ATOM 401 CA ASP 10 65.803 18.942 127.034 1.00 1.00 ATOM 402 CA GLU 11 67.510 21.770 128.870 1.00 1.00 ATOM 403 CA GLU 12 66.472 19.959 132.024 1.00 1.00 ATOM 404 CA LYS 13 66.408 16.294 131.219 1.00 1.00 ATOM 405 CA VAL 14 69.624 16.772 129.296 1.00 1.00 ATOM 406 CA ARG 15 71.813 19.332 131.014 1.00 1.00 ATOM 407 CA ILE 16 70.453 19.552 134.536 1.00 1.00 ATOM 408 CA ALA 17 68.450 22.709 133.847 1.00 1.00 ATOM 409 CA ALA 18 71.196 25.141 134.834 1.00 1.00 ATOM 410 CA LYS 19 73.654 26.547 132.336 1.00 1.00 ATOM 411 CA PHE 20 74.606 29.821 130.779 1.00 1.00 ATOM 412 CA ILE 21 75.370 31.736 127.597 1.00 1.00 ATOM 413 CA THR 22 78.932 32.933 128.145 1.00 1.00 ATOM 414 CA HIS 23 80.588 35.966 126.508 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:52:19 2002 Date: Sun, 18 Aug 2002 06:52:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 Sun Aug 18 06:24:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_377030_26586 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS007_5 Current information on models submitted in prediction T0162TS007 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_5 PIN_377030_26586 6269-7633-6117 08/18/02 06:24:11 casp5@bialko.llnl.gov T0162TS007_3 PIN_379375_26584 6269-7633-6117 08/18/02 06:23:36 casp5@bialko.llnl.gov T0162TS007_4 PIN_358623_26582 6269-7633-6117 08/18/02 06:23:00 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS007_1 PIN_357320_26580 6269-7633-6117 08/18/02 06:22:22 casp5@bialko.llnl.gov T0162TS007_2 PIN_355904_26581 6269-7633-6117 08/18/02 06:22:42 casp5@bialko.llnl.gov T0162TS007_3 PIN_379375_26584 6269-7633-6117 08/18/02 06:23:36 casp5@bialko.llnl.gov T0162TS007_4 PIN_358623_26582 6269-7633-6117 08/18/02 06:23:00 casp5@bialko.llnl.gov T0162TS007_5 PIN_377030_26586 6269-7633-6117 08/18/02 06:24:11 casp5@bialko.llnl.gov T0162SS007_1 PIN_293061_16259 6269-7633-6117 07/28/02 09:17:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1ATI_B # Loading PARENT structure: 1ati (chain: B) # Number of residues in PARENT structure: 436 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue N 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue A 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue P 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue F 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue K 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue P 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue C 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 162 # IMPORTANT NOTE! Not complete main chain atoms for residue F 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue W 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue G 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue W 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue I 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue P 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 186 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 187 # IMPORTANT NOTE! Not complete main chain atoms for residue V 188 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 131 # Total number of atoms in model: 131 # Number of atoms with 1.0 occupancy: 131 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 131 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1ATI_B ATOM 270 CA ASP 35 18.204 56.728 64.942 1.00 1.00 ATOM 271 CA VAL 36 21.335 58.239 66.517 1.00 1.00 ATOM 272 CA ARG 37 19.979 57.123 69.961 1.00 1.00 ATOM 273 CA LEU 38 20.358 53.504 68.907 1.00 1.00 ATOM 274 CA LEU 39 23.827 53.823 67.530 1.00 1.00 ATOM 275 CA LEU 40 26.841 53.355 69.681 1.00 1.00 ATOM 276 CA ASN 41 30.379 54.296 68.504 1.00 1.00 ATOM 277 CA ASN 42 32.613 52.214 70.745 1.00 1.00 ATOM 278 CA ASP 43 36.258 53.107 70.678 1.00 1.00 ATOM 279 CA ASN 44 38.225 49.990 71.524 1.00 1.00 ATOM 280 CA LEU 45 40.665 50.406 74.490 1.00 1.00 ATOM 281 CA LEU 46 44.339 49.287 73.847 1.00 1.00 ATOM 282 CA ARG 47 43.556 45.861 75.375 1.00 1.00 ATOM 283 CA GLU 48 41.070 44.919 72.627 1.00 1.00 ATOM 284 CA GLY 49 43.196 46.193 69.601 1.00 1.00 ATOM 285 CA ALA 50 44.937 43.366 67.682 1.00 1.00 ATOM 286 CA ALA 51 48.706 44.071 67.639 1.00 1.00 ATOM 287 CA HIS 52 49.036 45.847 64.222 1.00 1.00 ATOM 288 CA ALA 53 45.876 47.941 64.883 1.00 1.00 ATOM 289 CA PHE 54 46.847 51.493 65.789 1.00 1.00 ATOM 290 CA ALA 55 43.112 52.171 66.560 1.00 1.00 ATOM 291 CA GLN 56 39.569 50.888 65.990 1.00 1.00 ATOM 292 CA TYR 57 35.933 51.898 66.480 1.00 1.00 ATOM 293 CA ASN 58 32.856 49.626 66.423 1.00 1.00 ATOM 294 CA MET 59 29.377 50.934 65.653 1.00 1.00 ATOM 295 CA ASP 60 26.865 48.996 67.654 1.00 1.00 ATOM 296 CA GLN 61 23.185 48.876 67.262 1.00 1.00 ATOM 297 CA PHE 62 20.742 48.681 70.106 1.00 1.00 ATOM 298 CA THR 63 18.890 45.425 69.158 1.00 1.00 ATOM 299 CA PRO 64 15.940 44.082 71.253 1.00 1.00 ATOM 300 CA GLU 68 18.164 41.314 72.652 1.00 1.00 ATOM 301 CA GLY 69 21.139 43.659 73.208 1.00 1.00 ATOM 302 CA TYR 70 23.925 45.641 71.492 1.00 1.00 ATOM 303 CA ASP 71 25.393 43.830 68.505 1.00 1.00 ATOM 304 CA ASP 72 28.202 45.091 66.248 1.00 1.00 ATOM 305 CA GLN 73 27.081 46.599 62.862 1.00 1.00 ATOM 306 CA VAL 74 30.296 47.916 61.410 1.00 1.00 ATOM 307 CA LEU 75 33.933 48.235 62.409 1.00 1.00 ATOM 308 CA ILE 76 36.356 50.925 61.233 1.00 1.00 ATOM 309 CA THR 77 39.883 49.838 62.062 1.00 1.00 ATOM 310 CA GLU 78 43.287 51.239 61.208 1.00 1.00 ATOM 311 CA HIS 79 45.658 48.416 60.215 1.00 1.00 ATOM 312 CA GLY 80 48.838 50.312 59.360 1.00 1.00 ATOM 313 CA ASP 81 50.901 48.429 56.773 1.00 1.00 ATOM 314 CA LEU 82 50.176 44.973 58.097 1.00 1.00 ATOM 315 CA GLY 83 48.006 43.613 55.328 1.00 1.00 ATOM 316 CA ASN 84 49.874 44.876 52.356 1.00 1.00 ATOM 317 CA GLY 85 52.969 44.157 54.399 1.00 1.00 ATOM 318 CA ARG 86 52.317 40.458 55.039 1.00 1.00 ATOM 319 CA PHE 87 51.682 39.715 51.327 1.00 1.00 ATOM 320 CA LEU 88 54.456 41.626 49.560 1.00 1.00 ATOM 321 CA ASP 89 57.776 40.660 47.955 1.00 1.00 ATOM 322 CA PRO 90 61.052 42.467 48.908 1.00 1.00 ATOM 323 CA ARG 91 59.810 42.880 52.502 1.00 1.00 ATOM 324 CA ASN 92 63.046 44.163 54.132 1.00 1.00 ATOM 325 CA LYS 93 63.755 46.584 51.297 1.00 1.00 ATOM 326 CA ILE 94 60.463 48.402 52.082 1.00 1.00 ATOM 327 CA SER 95 60.448 49.759 55.642 1.00 1.00 ATOM 328 CA PHE 96 57.452 47.739 56.979 1.00 1.00 ATOM 329 CA LYS 97 56.337 49.015 60.372 1.00 1.00 ATOM 330 CA PHE 98 54.079 46.138 61.632 1.00 1.00 ATOM 331 CA ASP 99 55.495 42.686 62.471 1.00 1.00 ATOM 332 CA HIS 100 54.953 40.407 59.411 1.00 1.00 ATOM 333 CA LEU 101 55.877 36.806 58.557 1.00 1.00 ATOM 334 CA ARG 102 58.817 36.184 56.252 1.00 1.00 ATOM 335 CA LYS 103 57.090 35.763 52.873 1.00 1.00 ATOM 336 CA GLU 104 59.031 33.366 50.642 1.00 1.00 ATOM 337 CA ALA 105 56.260 33.036 48.021 1.00 1.00 ATOM 338 CA SER 106 54.755 36.287 46.689 1.00 1.00 ATOM 339 CA ASP 107 55.564 37.065 43.045 1.00 1.00 ATOM 340 CA PRO 108 54.762 40.825 43.110 1.00 1.00 ATOM 341 CA GLN 109 55.714 43.802 45.149 1.00 1.00 ATOM 342 CA PRO 110 52.617 45.288 46.820 1.00 1.00 ATOM 343 CA GLU 111 53.960 48.767 47.564 1.00 1.00 ATOM 344 CA ASP 112 53.645 52.319 46.311 1.00 1.00 ATOM 345 CA TYR 131 56.326 54.578 44.864 1.00 1.00 ATOM 346 CA VAL 132 56.960 58.230 43.894 1.00 1.00 ATOM 347 CA LYS 133 56.514 60.557 46.852 1.00 1.00 ATOM 348 CA ASP 134 57.337 63.280 44.220 1.00 1.00 ATOM 349 CA HIS 135 60.777 61.602 44.391 1.00 1.00 ATOM 350 CA TYR 136 61.074 57.872 43.749 1.00 1.00 ATOM 351 CA PRO 137 60.857 56.269 47.192 1.00 1.00 ATOM 352 CA ASN 138 58.989 52.945 47.604 1.00 1.00 ATOM 353 CA GLY 139 56.744 52.238 50.635 1.00 1.00 ATOM 354 CA PHE 140 53.831 50.123 51.863 1.00 1.00 ATOM 355 CA CYS 141 50.678 52.206 52.413 1.00 1.00 ATOM 356 CA THR 142 48.705 52.113 55.664 1.00 1.00 ATOM 357 CA VAL 143 45.110 50.897 55.403 1.00 1.00 ATOM 358 CA TYR 144 41.894 52.222 56.956 1.00 1.00 ATOM 359 CA GLY 145 39.117 49.602 56.836 1.00 1.00 ATOM 360 CA LYS 146 35.319 50.111 57.220 1.00 1.00 ATOM 361 CA SER 147 33.668 46.679 57.276 1.00 1.00 ATOM 362 CA ILE 148 29.892 46.159 57.632 1.00 1.00 ATOM 363 CA ASP 149 27.733 42.998 57.712 1.00 1.00 ATOM 364 CA GLY 150 24.865 43.058 55.256 1.00 1.00 ATOM 365 CA GLN 151 22.525 40.842 57.224 1.00 1.00 ATOM 366 CA GLN 152 23.096 42.788 60.423 1.00 1.00 ATOM 367 CA THR 153 22.195 45.961 58.542 1.00 1.00 ATOM 368 CA ILE 154 19.040 44.415 57.154 1.00 1.00 ATOM 369 CA ILE 155 18.020 43.364 60.661 1.00 1.00 ATOM 370 CA ALA 156 18.848 46.746 62.114 1.00 1.00 ATOM 371 CA CYS 157 16.585 48.410 59.610 1.00 1.00 ATOM 372 CA ILE 158 13.779 46.003 60.278 1.00 1.00 ATOM 373 CA GLU 159 14.215 46.290 64.009 1.00 1.00 ATOM 374 CA SER 160 14.086 50.090 63.822 1.00 1.00 ATOM 375 CA HIS 161 11.136 50.241 61.360 1.00 1.00 ATOM 376 CA GLN 162 9.045 47.736 63.212 1.00 1.00 ATOM 377 CA PHE 163 6.285 49.505 65.158 1.00 1.00 ATOM 378 CA GLN 164 2.872 48.419 66.681 1.00 1.00 ATOM 379 CA PRO 165 0.103 51.014 66.558 1.00 1.00 ATOM 380 CA LYS 166 -3.135 51.499 68.384 1.00 1.00 ATOM 384 CA TRP 169 -9.672 49.958 69.078 1.00 1.00 ATOM 385 CA ASN 170 -7.439 47.346 67.380 1.00 1.00 ATOM 386 CA GLY 171 -3.731 47.576 66.640 1.00 1.00 ATOM 387 CA ARG 172 -1.584 47.043 63.514 1.00 1.00 ATOM 388 CA TRP 173 2.039 46.255 62.687 1.00 1.00 ATOM 389 CA ARG 174 3.728 48.756 60.385 1.00 1.00 ATOM 390 CA SER 175 7.240 48.481 59.006 1.00 1.00 ATOM 391 CA GLU 176 8.309 52.122 58.908 1.00 1.00 ATOM 392 CA TRP 177 11.128 51.558 56.414 1.00 1.00 ATOM 393 CA LYS 178 12.738 54.453 54.551 1.00 1.00 ATOM 394 CA PHE 179 10.734 54.626 51.233 1.00 1.00 ATOM 395 CA THR 180 13.715 54.379 48.864 1.00 1.00 ATOM 396 CA ILE 181 14.621 51.095 50.584 1.00 1.00 ATOM 397 CA THR 182 11.185 49.417 50.781 1.00 1.00 ATOM 398 CA PRO 183 11.001 46.050 48.974 1.00 1.00 ATOM 399 CA PRO 184 7.884 47.553 47.232 1.00 1.00 ATOM 400 CA THR 185 7.204 51.233 46.450 1.00 1.00 ATOM 401 CA ALA 186 3.650 51.214 45.188 1.00 1.00 ATOM 402 CA GLN 187 0.905 48.604 45.218 1.00 1.00 ATOM 403 CA VAL 188 -1.845 48.936 42.637 1.00 1.00 TER END ################################ # # # END # # # ################################