From mailer@bialko.llnl.gov Mon Aug 12 21:11:18 2002 Date: Mon, 12 Aug 2002 21:11:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 12 20:43:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_558965_21224 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178SS007_1 Current information on models submitted in prediction T0178SS007 MODEL_INDEX PIN CODE DATE E-mail T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 MODEL_INDEX PIN CODE DATE E-mail T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 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: 219 # Number of residues with nonzero confidence: 219 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0178 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-31682.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-30580//target-align-30580.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 16.5225 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-31682.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc70.5202/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: Mon Aug 12 16:56:05 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-30580//target-align-30580.a2m METHOD METHOD guide seq name: seed-seqs-31682.a2m(1), 219 bases, EBF8DA03 checksum. METHOD ###end 0 MODEL 1 M C 0.451 I H 0.495 D H 0.537 V H 0.658 R H 0.647 K H 0.628 Y H 0.589 I H 0.492 D H 0.428 N H 0.484 A H 0.42 A C 0.394 L C 0.487 K C 0.635 P C 0.631 H C 0.628 L C 0.637 S C 0.656 E H 0.711 K H 0.758 E H 0.762 I H 0.782 E H 0.789 E H 0.794 F H 0.783 V H 0.773 L H 0.773 K H 0.775 S H 0.742 E H 0.708 E H 0.656 L C 0.449 G C 0.622 I C 0.499 Y E 0.475 A E 0.628 V E 0.676 C E 0.667 V E 0.544 N C 0.607 P H 0.462 Y H 0.567 H H 0.594 V H 0.63 K H 0.652 L H 0.67 A H 0.682 S H 0.704 S H 0.698 I H 0.664 A H 0.594 K C 0.465 K C 0.591 V C 0.55 K E 0.485 V E 0.681 C E 0.673 C E 0.682 V E 0.675 I E 0.564 G C 0.467 F C 0.579 P C 0.688 L C 0.682 G C 0.706 L C 0.679 N C 0.63 K C 0.495 T H 0.417 S H 0.544 V H 0.629 K H 0.664 V H 0.706 K H 0.721 E H 0.722 A H 0.732 V H 0.745 E H 0.741 A H 0.734 V H 0.726 R H 0.706 D H 0.609 G C 0.652 A C 0.65 Q C 0.554 E E 0.394 L E 0.502 D E 0.494 I E 0.596 V E 0.601 W E 0.519 N C 0.448 L H 0.538 S H 0.56 A H 0.582 F H 0.553 K H 0.538 S H 0.503 E H 0.462 K C 0.474 Y H 0.66 D H 0.692 F H 0.697 V H 0.694 V H 0.733 E H 0.753 E H 0.755 L H 0.78 K H 0.778 E H 0.773 I H 0.76 F H 0.758 R H 0.75 E H 0.716 T H 0.614 P C 0.49 S C 0.571 A C 0.444 V E 0.481 H E 0.564 K E 0.599 V E 0.644 I E 0.645 V E 0.589 E E 0.453 T H 0.375 P C 0.462 Y C 0.489 L C 0.516 N C 0.617 E H 0.662 E H 0.717 E H 0.727 I H 0.733 K H 0.735 K H 0.739 A H 0.73 V H 0.718 E H 0.722 I H 0.719 C H 0.717 I H 0.716 E H 0.71 A H 0.635 G C 0.624 A C 0.642 D C 0.474 F E 0.502 I E 0.528 K E 0.462 T C 0.398 S C 0.549 T C 0.632 G C 0.666 F C 0.591 A C 0.594 P C 0.582 R C 0.615 G C 0.665 T C 0.575 T C 0.564 L H 0.621 E H 0.648 E H 0.665 V H 0.725 R H 0.729 L H 0.727 I H 0.724 K H 0.729 S H 0.719 S H 0.675 A H 0.596 K C 0.579 G C 0.573 R C 0.506 I C 0.467 K C 0.437 V E 0.512 K E 0.5 A E 0.427 S C 0.54 G C 0.678 G C 0.679 I C 0.576 R C 0.599 D C 0.614 L H 0.685 E H 0.725 T H 0.735 A H 0.767 I H 0.775 S H 0.722 M H 0.677 I H 0.587 E H 0.456 A C 0.452 G C 0.547 A C 0.474 D C 0.366 R E 0.451 I E 0.449 G C 0.501 T C 0.466 S C 0.436 S H 0.538 G H 0.578 I H 0.627 S H 0.639 I H 0.636 A H 0.652 E H 0.655 E H 0.64 F H 0.618 L H 0.629 K H 0.596 R H 0.549 H H 0.427 L C 0.466 I C 0.691 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 11:48:18 2002 Date: Mon, 19 Aug 2002 11:48:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 Mon Aug 19 11:20:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_345104_27693 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS007_1 Current information on models submitted in prediction T0178TS007 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_1 PIN_345104_27693 6269-7633-6117 08/19/02 11:20:23 casp5@bialko.llnl.gov T0178TS007_5 PIN_314282_27688 6269-7633-6117 08/19/02 11:17:45 casp5@bialko.llnl.gov T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_1 PIN_345104_27693 6269-7633-6117 08/19/02 11:20:23 casp5@bialko.llnl.gov T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov T0178TS007_5 PIN_314282_27688 6269-7633-6117 08/19/02 11:17:45 casp5@bialko.llnl.gov T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1JCL_A # Loading PARENT structure: 1jcl (chain: A) # Number of residues in PARENT structure: 251 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue K 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue I 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue A 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue F 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue H 217 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 217 # Total number of atoms in model: 217 # Number of atoms with 1.0 occupancy: 217 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 217 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1JCL_A ATOM 8 CA MET 1 42.349 -1.562 8.165 1.00 1.00 ATOM 9 CA ILE 2 44.697 1.286 9.077 1.00 1.00 ATOM 10 CA ASP 3 42.059 3.802 7.996 1.00 1.00 ATOM 11 CA VAL 4 39.398 2.025 10.048 1.00 1.00 ATOM 12 CA ARG 5 41.650 1.977 13.110 1.00 1.00 ATOM 13 CA LYS 6 42.199 5.722 12.914 1.00 1.00 ATOM 14 CA TYR 7 38.453 6.264 12.495 1.00 1.00 ATOM 15 CA ILE 8 37.409 4.057 15.408 1.00 1.00 ATOM 16 CA ASP 9 35.268 5.080 18.357 1.00 1.00 ATOM 17 CA ASN 10 36.677 2.280 20.569 1.00 1.00 ATOM 18 CA ALA 11 33.753 1.366 22.795 1.00 1.00 ATOM 19 CA ALA 12 32.769 -0.284 26.042 1.00 1.00 ATOM 20 CA LEU 13 29.091 0.030 27.035 1.00 1.00 ATOM 21 CA LYS 14 28.322 -2.778 29.473 1.00 1.00 ATOM 22 CA PRO 15 26.408 -3.056 32.693 1.00 1.00 ATOM 23 CA HIS 16 29.479 -4.501 34.380 1.00 1.00 ATOM 24 CA LEU 17 31.824 -1.774 33.278 1.00 1.00 ATOM 25 CA SER 18 34.266 -0.472 35.842 1.00 1.00 ATOM 26 CA GLU 19 37.021 2.131 36.059 1.00 1.00 ATOM 27 CA LYS 20 39.528 -0.693 35.518 1.00 1.00 ATOM 28 CA GLU 21 37.846 -1.737 32.266 1.00 1.00 ATOM 29 CA ILE 22 37.721 1.863 31.027 1.00 1.00 ATOM 30 CA GLU 23 41.401 2.427 31.880 1.00 1.00 ATOM 31 CA GLU 24 42.300 -0.720 29.924 1.00 1.00 ATOM 32 CA PHE 25 40.201 0.541 26.973 1.00 1.00 ATOM 33 CA VAL 26 42.109 3.825 26.985 1.00 1.00 ATOM 34 CA LEU 27 45.391 1.950 26.862 1.00 1.00 ATOM 35 CA LYS 28 44.057 -0.178 23.970 1.00 1.00 ATOM 36 CA SER 29 43.231 2.974 21.984 1.00 1.00 ATOM 37 CA GLU 30 46.953 3.839 21.874 1.00 1.00 ATOM 38 CA GLU 31 48.196 1.283 19.327 1.00 1.00 ATOM 41 CA LEU 32 48.463 5.068 15.792 1.00 1.00 ATOM 42 CA GLY 33 45.549 6.098 17.947 1.00 1.00 ATOM 43 CA ILE 34 41.866 5.493 17.479 1.00 1.00 ATOM 44 CA TYR 35 39.795 8.601 16.820 1.00 1.00 ATOM 45 CA ALA 36 37.918 8.314 20.087 1.00 1.00 ATOM 46 CA VAL 37 36.695 6.132 22.853 1.00 1.00 ATOM 47 CA CYS 38 32.995 5.712 23.685 1.00 1.00 ATOM 48 CA VAL 39 32.012 4.979 27.293 1.00 1.00 ATOM 49 CA ASN 40 29.112 5.649 29.660 1.00 1.00 ATOM 50 CA PRO 41 29.116 9.239 30.982 1.00 1.00 ATOM 51 CA TYR 42 30.191 8.398 34.525 1.00 1.00 ATOM 52 CA HIS 43 33.510 7.089 33.230 1.00 1.00 ATOM 53 CA VAL 44 34.457 10.298 31.335 1.00 1.00 ATOM 54 CA LYS 45 36.593 11.900 34.112 1.00 1.00 ATOM 55 CA LEU 46 38.735 8.814 34.733 1.00 1.00 ATOM 56 CA ALA 47 39.073 8.251 30.983 1.00 1.00 ATOM 57 CA SER 48 40.236 11.841 30.454 1.00 1.00 ATOM 58 CA SER 49 42.848 11.434 33.182 1.00 1.00 ATOM 59 CA ILE 50 44.066 8.160 31.682 1.00 1.00 ATOM 60 CA ALA 51 44.301 9.472 28.136 1.00 1.00 ATOM 61 CA LYS 52 46.263 12.484 29.409 1.00 1.00 ATOM 67 CA LYS 53 43.824 14.106 21.339 1.00 1.00 ATOM 68 CA VAL 54 41.812 10.882 21.521 1.00 1.00 ATOM 69 CA LYS 55 38.282 12.205 21.821 1.00 1.00 ATOM 70 CA VAL 56 35.808 11.058 24.444 1.00 1.00 ATOM 71 CA CYS 57 32.368 10.138 23.145 1.00 1.00 ATOM 72 CA CYS 58 29.465 8.966 25.252 1.00 1.00 ATOM 73 CA VAL 59 25.821 7.957 24.848 1.00 1.00 ATOM 74 CA ILE 60 22.515 9.460 25.975 1.00 1.00 ATOM 75 CA GLY 61 18.875 8.427 25.691 1.00 1.00 ATOM 76 CA PHE 62 20.494 5.025 25.464 1.00 1.00 ATOM 77 CA PRO 63 19.821 2.375 24.388 1.00 1.00 ATOM 78 CA LEU 64 16.053 2.664 24.368 1.00 1.00 ATOM 79 CA GLY 65 15.466 5.853 22.372 1.00 1.00 ATOM 80 CA LEU 66 12.543 6.945 24.502 1.00 1.00 ATOM 81 CA ASN 67 10.563 10.044 23.506 1.00 1.00 ATOM 82 CA LYS 68 11.021 12.065 26.726 1.00 1.00 ATOM 83 CA THR 69 12.911 15.135 25.620 1.00 1.00 ATOM 84 CA SER 70 13.479 16.427 29.130 1.00 1.00 ATOM 85 CA VAL 71 15.266 13.194 30.111 1.00 1.00 ATOM 86 CA LYS 72 17.382 13.030 26.972 1.00 1.00 ATOM 87 CA VAL 73 18.360 16.651 27.387 1.00 1.00 ATOM 88 CA LYS 74 19.212 16.225 31.081 1.00 1.00 ATOM 89 CA GLU 75 21.454 13.276 30.227 1.00 1.00 ATOM 90 CA ALA 76 23.100 15.267 27.440 1.00 1.00 ATOM 91 CA VAL 77 23.721 18.223 29.762 1.00 1.00 ATOM 92 CA GLU 78 25.262 15.818 32.303 1.00 1.00 ATOM 93 CA ALA 79 27.485 14.266 29.606 1.00 1.00 ATOM 94 CA VAL 80 28.684 17.754 28.706 1.00 1.00 ATOM 95 CA ARG 81 29.352 18.567 32.397 1.00 1.00 ATOM 96 CA ASP 82 31.337 15.360 32.907 1.00 1.00 ATOM 97 CA GLY 83 33.561 16.532 30.034 1.00 1.00 ATOM 98 CA ALA 84 32.390 14.701 26.910 1.00 1.00 ATOM 99 CA GLN 85 33.783 15.780 23.560 1.00 1.00 ATOM 100 CA GLU 86 30.953 14.048 21.666 1.00 1.00 ATOM 101 CA LEU 87 27.490 12.739 22.538 1.00 1.00 ATOM 102 CA ASP 88 25.812 9.924 20.635 1.00 1.00 ATOM 103 CA ILE 89 22.056 10.281 21.391 1.00 1.00 ATOM 104 CA VAL 90 19.416 7.703 20.467 1.00 1.00 ATOM 105 CA TRP 91 16.660 9.028 18.223 1.00 1.00 ATOM 106 CA ASN 92 13.049 8.309 19.333 1.00 1.00 ATOM 107 CA LEU 93 12.625 5.707 16.648 1.00 1.00 ATOM 108 CA SER 94 9.559 3.997 18.123 1.00 1.00 ATOM 109 CA ALA 95 7.792 7.347 18.126 1.00 1.00 ATOM 110 CA PHE 96 8.603 7.771 14.424 1.00 1.00 ATOM 111 CA LYS 97 7.327 4.241 13.698 1.00 1.00 ATOM 112 CA SER 98 4.075 5.282 15.403 1.00 1.00 ATOM 113 CA GLU 99 3.830 8.319 13.103 1.00 1.00 ATOM 114 CA LYS 100 5.352 11.067 15.217 1.00 1.00 ATOM 115 CA TYR 101 8.081 12.863 13.262 1.00 1.00 ATOM 116 CA ASP 102 8.038 16.028 15.400 1.00 1.00 ATOM 117 CA PHE 103 9.314 14.515 18.633 1.00 1.00 ATOM 118 CA VAL 104 12.487 13.251 16.949 1.00 1.00 ATOM 119 CA VAL 105 13.123 16.699 15.468 1.00 1.00 ATOM 120 CA GLU 106 12.538 18.386 18.823 1.00 1.00 ATOM 121 CA GLU 107 14.635 15.860 20.769 1.00 1.00 ATOM 122 CA LEU 108 17.648 16.098 18.450 1.00 1.00 ATOM 123 CA LYS 109 17.383 19.906 18.201 1.00 1.00 ATOM 124 CA GLU 110 17.330 20.315 21.988 1.00 1.00 ATOM 125 CA ILE 111 20.376 18.107 22.393 1.00 1.00 ATOM 126 CA PHE 112 22.179 19.818 19.493 1.00 1.00 ATOM 127 CA ARG 113 21.617 23.232 21.073 1.00 1.00 ATOM 128 CA GLU 114 23.226 22.126 24.313 1.00 1.00 ATOM 129 CA THR 115 26.121 20.405 22.547 1.00 1.00 ATOM 130 CA PRO 116 26.817 23.256 20.144 1.00 1.00 ATOM 133 CA SER 117 31.637 22.807 21.429 1.00 1.00 ATOM 134 CA ALA 118 30.518 19.167 21.658 1.00 1.00 ATOM 135 CA VAL 119 29.681 17.115 18.525 1.00 1.00 ATOM 136 CA HIS 120 26.314 15.371 18.390 1.00 1.00 ATOM 137 CA LYS 121 25.816 12.006 16.726 1.00 1.00 ATOM 138 CA VAL 122 22.298 10.619 16.326 1.00 1.00 ATOM 139 CA ILE 123 21.641 6.869 16.522 1.00 1.00 ATOM 140 CA VAL 124 18.568 6.007 14.469 1.00 1.00 ATOM 141 CA GLU 125 18.438 2.219 15.150 1.00 1.00 ATOM 142 CA THR 126 18.148 0.953 11.598 1.00 1.00 ATOM 143 CA PRO 127 17.589 -2.609 12.771 1.00 1.00 ATOM 144 CA TYR 128 14.404 -1.604 14.503 1.00 1.00 ATOM 145 CA LEU 129 13.186 0.882 11.912 1.00 1.00 ATOM 146 CA ASN 130 13.779 -1.782 9.233 1.00 1.00 ATOM 147 CA GLU 131 11.997 -0.131 6.302 1.00 1.00 ATOM 148 CA GLU 132 14.079 1.959 3.920 1.00 1.00 ATOM 149 CA GLU 133 11.592 4.817 4.039 1.00 1.00 ATOM 150 CA ILE 134 11.775 4.994 7.823 1.00 1.00 ATOM 152 CA LYS 135 15.630 7.682 5.323 1.00 1.00 ATOM 153 CA LYS 136 13.101 9.742 7.295 1.00 1.00 ATOM 154 CA ALA 137 14.876 9.311 10.625 1.00 1.00 ATOM 155 CA VAL 138 18.139 10.309 8.947 1.00 1.00 ATOM 156 CA GLU 139 16.508 13.329 7.328 1.00 1.00 ATOM 157 CA ILE 140 14.829 14.546 10.510 1.00 1.00 ATOM 158 CA CYS 141 18.083 14.132 12.442 1.00 1.00 ATOM 159 CA ILE 142 20.030 16.127 9.857 1.00 1.00 ATOM 160 CA GLU 143 17.404 18.874 9.746 1.00 1.00 ATOM 161 CA ALA 144 17.552 19.104 13.553 1.00 1.00 ATOM 162 CA GLY 145 21.330 19.547 13.480 1.00 1.00 ATOM 163 CA ALA 146 22.957 16.113 13.757 1.00 1.00 ATOM 164 CA ASP 147 26.721 16.275 13.151 1.00 1.00 ATOM 165 CA PHE 148 26.759 12.495 12.470 1.00 1.00 ATOM 166 CA ILE 149 24.130 9.870 11.804 1.00 1.00 ATOM 167 CA LYS 150 24.867 6.462 13.354 1.00 1.00 ATOM 168 CA THR 151 23.174 3.190 12.426 1.00 1.00 ATOM 169 CA SER 152 22.647 1.424 15.678 1.00 1.00 ATOM 170 CA THR 153 23.087 1.059 19.420 1.00 1.00 ATOM 171 CA GLY 154 24.678 -2.376 19.227 1.00 1.00 ATOM 172 CA PHE 155 22.047 -3.446 21.788 1.00 1.00 ATOM 173 CA ALA 156 19.327 -4.821 19.477 1.00 1.00 ATOM 174 CA PRO 157 19.276 -7.920 17.285 1.00 1.00 ATOM 175 CA ARG 158 20.173 -6.207 13.963 1.00 1.00 ATOM 176 CA GLY 159 22.734 -3.425 13.836 1.00 1.00 ATOM 177 CA THR 160 24.915 -2.116 11.006 1.00 1.00 ATOM 178 CA THR 161 24.450 -3.625 7.567 1.00 1.00 ATOM 179 CA LEU 162 25.982 -2.497 4.252 1.00 1.00 ATOM 180 CA GLU 163 22.496 -1.760 2.923 1.00 1.00 ATOM 181 CA GLU 164 21.597 0.403 5.913 1.00 1.00 ATOM 182 CA VAL 165 24.904 2.232 5.516 1.00 1.00 ATOM 183 CA ARG 166 24.221 2.885 1.844 1.00 1.00 ATOM 184 CA LEU 167 20.735 4.194 2.579 1.00 1.00 ATOM 185 CA ILE 168 21.956 6.567 5.271 1.00 1.00 ATOM 186 CA LYS 169 24.860 7.822 3.178 1.00 1.00 ATOM 187 CA SER 170 22.438 8.351 0.271 1.00 1.00 ATOM 188 CA SER 171 20.479 10.696 2.565 1.00 1.00 ATOM 189 CA ALA 172 23.626 12.699 3.235 1.00 1.00 ATOM 195 CA LYS 173 28.516 15.930 2.873 1.00 1.00 ATOM 196 CA GLY 174 30.454 18.791 4.458 1.00 1.00 ATOM 197 CA ARG 175 28.551 18.932 7.737 1.00 1.00 ATOM 198 CA ILE 176 27.258 15.416 8.449 1.00 1.00 ATOM 199 CA LYS 177 29.346 12.310 9.043 1.00 1.00 ATOM 200 CA VAL 178 28.375 8.644 9.064 1.00 1.00 ATOM 201 CA LYS 179 29.027 6.015 11.759 1.00 1.00 ATOM 202 CA ALA 180 28.241 2.337 11.227 1.00 1.00 ATOM 203 CA SER 181 27.983 0.615 14.610 1.00 1.00 ATOM 204 CA GLY 182 27.089 -2.673 16.153 1.00 1.00 ATOM 205 CA GLY 183 28.414 -6.023 15.010 1.00 1.00 ATOM 206 CA ILE 184 31.364 -4.634 13.036 1.00 1.00 ATOM 207 CA ARG 185 33.847 -7.250 14.207 1.00 1.00 ATOM 208 CA ASP 186 36.412 -8.050 11.498 1.00 1.00 ATOM 209 CA LEU 187 38.786 -6.185 9.269 1.00 1.00 ATOM 210 CA GLU 188 36.778 -7.481 6.274 1.00 1.00 ATOM 211 CA THR 189 33.552 -6.073 7.820 1.00 1.00 ATOM 212 CA ALA 190 35.166 -2.665 8.140 1.00 1.00 ATOM 213 CA ILE 191 36.424 -2.826 4.592 1.00 1.00 ATOM 214 CA SER 192 32.880 -3.235 3.270 1.00 1.00 ATOM 215 CA MET 193 31.738 -0.020 4.921 1.00 1.00 ATOM 216 CA ILE 194 34.660 2.101 3.701 1.00 1.00 ATOM 229 CA GLU 195 38.194 11.603 7.722 1.00 1.00 ATOM 230 CA ALA 196 37.493 11.655 11.460 1.00 1.00 ATOM 231 CA GLY 197 34.984 14.511 11.154 1.00 1.00 ATOM 232 CA ALA 198 32.979 12.515 8.598 1.00 1.00 ATOM 233 CA ASP 199 33.364 8.820 9.441 1.00 1.00 ATOM 234 CA ARG 200 33.688 6.687 12.540 1.00 1.00 ATOM 235 CA ILE 201 33.446 2.981 13.348 1.00 1.00 ATOM 236 CA GLY 202 31.470 2.236 16.494 1.00 1.00 ATOM 237 CA THR 203 33.069 -0.948 17.740 1.00 1.00 ATOM 238 CA SER 204 33.842 -2.758 20.997 1.00 1.00 ATOM 239 CA SER 205 35.433 -5.783 19.369 1.00 1.00 ATOM 240 CA GLY 206 37.050 -4.805 15.995 1.00 1.00 ATOM 241 CA ILE 207 40.440 -3.381 16.919 1.00 1.00 ATOM 242 CA SER 208 42.237 -6.687 17.487 1.00 1.00 ATOM 243 CA ILE 209 41.128 -7.840 14.031 1.00 1.00 ATOM 244 CA ALA 210 42.439 -4.643 12.391 1.00 1.00 ATOM 245 CA GLU 211 45.786 -4.943 14.213 1.00 1.00 ATOM 246 CA GLU 212 46.073 -8.577 13.082 1.00 1.00 ATOM 247 CA PHE 213 45.422 -7.546 9.487 1.00 1.00 ATOM 248 CA LEU 214 48.207 -4.987 9.852 1.00 1.00 ATOM 249 CA LYS 215 50.679 -7.540 11.304 1.00 1.00 ATOM 250 CA ARG 216 50.652 -5.911 14.744 1.00 1.00 ATOM 251 CA HIS 217 48.209 -8.183 16.388 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 11:45:09 2002 Date: Mon, 19 Aug 2002 11:45:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 Mon Aug 19 11:16:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_308497_27686 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS007_2 Current information on models submitted in prediction T0178TS007 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1JCJ_A # Loading PARENT structure: 1jcj (chain: A) # Number of residues in PARENT structure: 251 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # 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 I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue K 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue I 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue A 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue F 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue H 217 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 217 # Total number of atoms in model: 217 # Number of atoms with 1.0 occupancy: 217 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 217 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1JCJ_A ATOM 8 CA MET 1 42.417 -1.308 8.101 1.00 1.00 ATOM 9 CA ILE 2 44.780 1.545 9.001 1.00 1.00 ATOM 10 CA ASP 3 42.101 4.053 7.937 1.00 1.00 ATOM 11 CA VAL 4 39.504 2.299 9.993 1.00 1.00 ATOM 12 CA ARG 5 41.767 2.261 13.054 1.00 1.00 ATOM 13 CA LYS 6 42.344 6.000 12.838 1.00 1.00 ATOM 14 CA TYR 7 38.613 6.554 12.441 1.00 1.00 ATOM 15 CA ILE 8 37.551 4.355 15.330 1.00 1.00 ATOM 16 CA ASP 9 35.331 5.364 18.258 1.00 1.00 ATOM 17 CA ASN 10 36.730 2.601 20.489 1.00 1.00 ATOM 18 CA ALA 11 33.813 1.645 22.726 1.00 1.00 ATOM 19 CA ALA 12 32.901 0.045 26.026 1.00 1.00 ATOM 20 CA LEU 13 29.197 0.326 26.994 1.00 1.00 ATOM 21 CA LYS 14 28.516 -2.533 29.421 1.00 1.00 ATOM 22 CA PRO 15 26.476 -2.773 32.627 1.00 1.00 ATOM 23 CA HIS 16 29.532 -4.082 34.434 1.00 1.00 ATOM 24 CA LEU 17 31.934 -1.432 33.292 1.00 1.00 ATOM 25 CA SER 18 34.326 -0.015 35.848 1.00 1.00 ATOM 26 CA GLU 19 37.087 2.557 36.020 1.00 1.00 ATOM 27 CA LYS 20 39.675 -0.201 35.541 1.00 1.00 ATOM 28 CA GLU 21 38.040 -1.369 32.286 1.00 1.00 ATOM 29 CA ILE 22 37.823 2.208 31.002 1.00 1.00 ATOM 30 CA GLU 23 41.506 2.835 31.857 1.00 1.00 ATOM 31 CA GLU 24 42.402 -0.343 29.936 1.00 1.00 ATOM 32 CA PHE 25 40.293 0.910 26.975 1.00 1.00 ATOM 33 CA VAL 26 42.209 4.172 26.977 1.00 1.00 ATOM 34 CA LEU 27 45.491 2.293 26.823 1.00 1.00 ATOM 35 CA LYS 28 44.113 0.133 23.946 1.00 1.00 ATOM 36 CA SER 29 43.308 3.317 21.977 1.00 1.00 ATOM 37 CA GLU 30 47.003 4.183 21.836 1.00 1.00 ATOM 38 CA GLU 31 48.206 1.560 19.330 1.00 1.00 ATOM 41 CA LEU 32 48.457 5.348 15.691 1.00 1.00 ATOM 42 CA GLY 33 45.647 6.416 17.958 1.00 1.00 ATOM 43 CA ILE 34 41.941 5.823 17.468 1.00 1.00 ATOM 44 CA TYR 35 39.890 8.934 16.804 1.00 1.00 ATOM 45 CA ALA 36 37.915 8.625 20.001 1.00 1.00 ATOM 46 CA VAL 37 36.682 6.455 22.784 1.00 1.00 ATOM 47 CA CYS 38 32.989 5.974 23.577 1.00 1.00 ATOM 48 CA VAL 39 32.060 5.304 27.210 1.00 1.00 ATOM 49 CA ASN 40 29.204 5.944 29.621 1.00 1.00 ATOM 50 CA PRO 41 29.207 9.530 30.925 1.00 1.00 ATOM 51 CA TYR 42 30.269 8.750 34.487 1.00 1.00 ATOM 52 CA HIS 43 33.606 7.439 33.207 1.00 1.00 ATOM 53 CA VAL 44 34.537 10.627 31.303 1.00 1.00 ATOM 54 CA LYS 45 36.655 12.277 34.023 1.00 1.00 ATOM 55 CA LEU 46 38.800 9.195 34.666 1.00 1.00 ATOM 56 CA ALA 47 39.160 8.580 30.912 1.00 1.00 ATOM 57 CA SER 48 40.284 12.198 30.380 1.00 1.00 ATOM 58 CA SER 49 42.905 11.840 33.089 1.00 1.00 ATOM 59 CA ILE 50 44.134 8.538 31.660 1.00 1.00 ATOM 60 CA ALA 51 44.366 9.833 28.102 1.00 1.00 ATOM 61 CA LYS 52 46.293 12.872 29.324 1.00 1.00 ATOM 67 CA LYS 53 43.832 14.420 21.235 1.00 1.00 ATOM 68 CA VAL 54 41.816 11.189 21.480 1.00 1.00 ATOM 69 CA LYS 55 38.277 12.479 21.738 1.00 1.00 ATOM 70 CA VAL 56 35.822 11.336 24.381 1.00 1.00 ATOM 71 CA CYS 57 32.363 10.422 23.129 1.00 1.00 ATOM 72 CA CYS 58 29.476 9.245 25.206 1.00 1.00 ATOM 73 CA VAL 59 25.838 8.236 24.825 1.00 1.00 ATOM 74 CA ILE 60 22.555 9.754 25.943 1.00 1.00 ATOM 75 CA GLY 61 18.899 8.773 25.697 1.00 1.00 ATOM 76 CA PHE 62 20.519 5.347 25.492 1.00 1.00 ATOM 77 CA PRO 63 19.854 2.691 24.389 1.00 1.00 ATOM 78 CA LEU 64 16.090 2.952 24.355 1.00 1.00 ATOM 79 CA GLY 65 15.484 6.143 22.379 1.00 1.00 ATOM 80 CA LEU 66 12.571 7.286 24.508 1.00 1.00 ATOM 81 CA ASN 67 10.632 10.372 23.487 1.00 1.00 ATOM 82 CA LYS 68 11.004 12.407 26.718 1.00 1.00 ATOM 83 CA THR 69 12.928 15.459 25.616 1.00 1.00 ATOM 84 CA SER 70 13.512 16.774 29.117 1.00 1.00 ATOM 85 CA VAL 71 15.285 13.557 30.125 1.00 1.00 ATOM 86 CA LYS 72 17.395 13.350 26.994 1.00 1.00 ATOM 87 CA VAL 73 18.380 16.984 27.406 1.00 1.00 ATOM 88 CA LYS 74 19.274 16.595 31.076 1.00 1.00 ATOM 89 CA GLU 75 21.458 13.601 30.211 1.00 1.00 ATOM 90 CA ALA 76 23.115 15.593 27.422 1.00 1.00 ATOM 91 CA VAL 77 23.753 18.537 29.728 1.00 1.00 ATOM 92 CA GLU 78 25.305 16.149 32.240 1.00 1.00 ATOM 93 CA ALA 79 27.511 14.573 29.565 1.00 1.00 ATOM 94 CA VAL 80 28.737 18.049 28.651 1.00 1.00 ATOM 95 CA ARG 81 29.390 18.858 32.320 1.00 1.00 ATOM 96 CA ASP 82 31.354 15.664 32.816 1.00 1.00 ATOM 97 CA GLY 83 33.594 16.847 29.962 1.00 1.00 ATOM 98 CA ALA 84 32.407 15.000 26.835 1.00 1.00 ATOM 99 CA GLN 85 33.811 16.082 23.502 1.00 1.00 ATOM 100 CA GLU 86 30.959 14.350 21.630 1.00 1.00 ATOM 101 CA LEU 87 27.499 13.080 22.541 1.00 1.00 ATOM 102 CA ASP 88 25.760 10.228 20.670 1.00 1.00 ATOM 103 CA ILE 89 22.036 10.628 21.363 1.00 1.00 ATOM 104 CA VAL 90 19.430 8.017 20.463 1.00 1.00 ATOM 105 CA TRP 91 16.688 9.334 18.192 1.00 1.00 ATOM 106 CA ASN 92 13.081 8.605 19.351 1.00 1.00 ATOM 107 CA LEU 93 12.646 6.004 16.644 1.00 1.00 ATOM 108 CA SER 94 9.579 4.299 18.117 1.00 1.00 ATOM 109 CA ALA 95 7.786 7.630 18.098 1.00 1.00 ATOM 110 CA PHE 96 8.628 8.095 14.428 1.00 1.00 ATOM 111 CA LYS 97 7.398 4.540 13.700 1.00 1.00 ATOM 112 CA SER 98 4.135 5.591 15.371 1.00 1.00 ATOM 113 CA GLU 99 3.888 8.605 13.050 1.00 1.00 ATOM 114 CA LYS 100 5.410 11.371 15.208 1.00 1.00 ATOM 115 CA TYR 101 8.097 13.173 13.223 1.00 1.00 ATOM 116 CA ASP 102 8.050 16.294 15.350 1.00 1.00 ATOM 117 CA PHE 103 9.328 14.845 18.628 1.00 1.00 ATOM 118 CA VAL 104 12.531 13.559 17.011 1.00 1.00 ATOM 119 CA VAL 105 13.145 16.979 15.471 1.00 1.00 ATOM 120 CA GLU 106 12.543 18.708 18.791 1.00 1.00 ATOM 121 CA GLU 107 14.682 16.212 20.747 1.00 1.00 ATOM 122 CA LEU 108 17.678 16.398 18.421 1.00 1.00 ATOM 123 CA LYS 109 17.384 20.223 18.164 1.00 1.00 ATOM 124 CA GLU 110 17.356 20.636 21.973 1.00 1.00 ATOM 125 CA ILE 111 20.392 18.426 22.371 1.00 1.00 ATOM 126 CA PHE 112 22.191 20.142 19.478 1.00 1.00 ATOM 127 CA ARG 113 21.672 23.533 21.025 1.00 1.00 ATOM 128 CA GLU 114 23.276 22.440 24.310 1.00 1.00 ATOM 129 CA THR 115 26.131 20.736 22.518 1.00 1.00 ATOM 130 CA PRO 116 26.834 23.600 20.144 1.00 1.00 ATOM 133 CA SER 117 31.634 23.151 21.391 1.00 1.00 ATOM 134 CA ALA 118 30.539 19.492 21.609 1.00 1.00 ATOM 135 CA VAL 119 29.650 17.479 18.505 1.00 1.00 ATOM 136 CA HIS 120 26.300 15.712 18.362 1.00 1.00 ATOM 137 CA LYS 121 25.870 12.329 16.770 1.00 1.00 ATOM 138 CA VAL 122 22.358 10.913 16.355 1.00 1.00 ATOM 139 CA ILE 123 21.722 7.168 16.559 1.00 1.00 ATOM 140 CA VAL 124 18.651 6.334 14.486 1.00 1.00 ATOM 141 CA GLU 125 18.521 2.559 15.178 1.00 1.00 ATOM 142 CA THR 126 18.239 1.276 11.634 1.00 1.00 ATOM 143 CA PRO 127 17.677 -2.297 12.777 1.00 1.00 ATOM 144 CA TYR 128 14.506 -1.322 14.550 1.00 1.00 ATOM 145 CA LEU 129 13.256 1.157 11.942 1.00 1.00 ATOM 146 CA ASN 130 13.851 -1.494 9.273 1.00 1.00 ATOM 147 CA GLU 131 12.092 0.120 6.348 1.00 1.00 ATOM 148 CA GLU 132 14.109 2.250 3.938 1.00 1.00 ATOM 149 CA GLU 133 11.619 5.106 4.056 1.00 1.00 ATOM 150 CA ILE 134 11.812 5.300 7.839 1.00 1.00 ATOM 152 CA LYS 135 15.653 7.993 5.328 1.00 1.00 ATOM 153 CA LYS 136 13.114 10.014 7.315 1.00 1.00 ATOM 154 CA ALA 137 14.913 9.596 10.640 1.00 1.00 ATOM 155 CA VAL 138 18.157 10.605 8.936 1.00 1.00 ATOM 156 CA GLU 139 16.555 13.634 7.308 1.00 1.00 ATOM 157 CA ILE 140 14.880 14.841 10.502 1.00 1.00 ATOM 158 CA CYS 141 18.100 14.445 12.425 1.00 1.00 ATOM 159 CA ILE 142 20.067 16.426 9.839 1.00 1.00 ATOM 160 CA GLU 143 17.477 19.184 9.719 1.00 1.00 ATOM 161 CA ALA 144 17.573 19.387 13.530 1.00 1.00 ATOM 162 CA GLY 145 21.358 19.848 13.456 1.00 1.00 ATOM 163 CA ALA 146 23.015 16.422 13.763 1.00 1.00 ATOM 164 CA ASP 147 26.769 16.596 13.142 1.00 1.00 ATOM 165 CA PHE 148 26.816 12.823 12.467 1.00 1.00 ATOM 166 CA ILE 149 24.197 10.182 11.818 1.00 1.00 ATOM 167 CA LYS 150 24.950 6.794 13.373 1.00 1.00 ATOM 168 CA THR 151 23.266 3.537 12.459 1.00 1.00 ATOM 169 CA SER 152 22.737 1.796 15.750 1.00 1.00 ATOM 170 CA THR 153 23.165 1.429 19.456 1.00 1.00 ATOM 171 CA GLY 154 24.758 -1.990 19.268 1.00 1.00 ATOM 172 CA PHE 155 22.143 -3.121 21.791 1.00 1.00 ATOM 173 CA ALA 156 19.412 -4.495 19.517 1.00 1.00 ATOM 174 CA PRO 157 19.407 -7.594 17.327 1.00 1.00 ATOM 175 CA ARG 158 20.234 -5.893 14.018 1.00 1.00 ATOM 176 CA GLY 159 22.798 -3.085 13.862 1.00 1.00 ATOM 177 CA THR 160 24.976 -1.792 11.008 1.00 1.00 ATOM 178 CA THR 161 24.476 -3.320 7.591 1.00 1.00 ATOM 179 CA LEU 162 25.961 -2.220 4.259 1.00 1.00 ATOM 180 CA GLU 163 22.486 -1.474 2.920 1.00 1.00 ATOM 181 CA GLU 164 21.617 0.725 5.908 1.00 1.00 ATOM 182 CA VAL 165 24.919 2.526 5.548 1.00 1.00 ATOM 183 CA ARG 166 24.228 3.162 1.873 1.00 1.00 ATOM 184 CA LEU 167 20.764 4.486 2.598 1.00 1.00 ATOM 185 CA ILE 168 21.991 6.894 5.264 1.00 1.00 ATOM 186 CA LYS 169 24.899 8.134 3.164 1.00 1.00 ATOM 187 CA SER 170 22.466 8.665 0.267 1.00 1.00 ATOM 188 CA SER 171 20.500 10.994 2.575 1.00 1.00 ATOM 189 CA ALA 172 23.662 12.999 3.223 1.00 1.00 ATOM 195 CA LYS 173 28.566 16.242 2.823 1.00 1.00 ATOM 196 CA GLY 174 30.524 19.107 4.428 1.00 1.00 ATOM 197 CA ARG 175 28.618 19.245 7.699 1.00 1.00 ATOM 198 CA ILE 176 27.320 15.725 8.440 1.00 1.00 ATOM 199 CA LYS 177 29.327 12.605 9.013 1.00 1.00 ATOM 200 CA VAL 178 28.364 8.945 9.040 1.00 1.00 ATOM 201 CA LYS 179 29.003 6.193 11.592 1.00 1.00 ATOM 202 CA ALA 180 28.339 2.495 11.088 1.00 1.00 ATOM 203 CA SER 181 28.028 0.991 14.534 1.00 1.00 ATOM 204 CA GLY 182 27.147 -2.284 16.161 1.00 1.00 ATOM 205 CA GLY 183 28.457 -5.652 15.150 1.00 1.00 ATOM 206 CA ILE 184 31.416 -4.370 13.114 1.00 1.00 ATOM 207 CA ARG 185 33.970 -6.958 14.236 1.00 1.00 ATOM 208 CA ASP 186 36.414 -7.797 11.501 1.00 1.00 ATOM 209 CA LEU 187 38.798 -5.931 9.223 1.00 1.00 ATOM 210 CA GLU 188 36.793 -7.260 6.256 1.00 1.00 ATOM 211 CA THR 189 33.588 -5.794 7.751 1.00 1.00 ATOM 212 CA ALA 190 35.210 -2.407 8.093 1.00 1.00 ATOM 213 CA ILE 191 36.441 -2.592 4.548 1.00 1.00 ATOM 214 CA SER 192 32.871 -2.984 3.245 1.00 1.00 ATOM 215 CA MET 193 31.758 0.275 4.848 1.00 1.00 ATOM 216 CA ILE 194 34.702 2.351 3.670 1.00 1.00 ATOM 229 CA GLU 195 38.174 11.867 7.705 1.00 1.00 ATOM 230 CA ALA 196 37.494 11.990 11.421 1.00 1.00 ATOM 231 CA GLY 197 34.948 14.833 11.120 1.00 1.00 ATOM 232 CA ALA 198 32.988 12.842 8.545 1.00 1.00 ATOM 233 CA ASP 199 33.384 9.164 9.421 1.00 1.00 ATOM 234 CA ARG 200 33.900 6.936 12.435 1.00 1.00 ATOM 235 CA ILE 201 33.628 3.244 13.211 1.00 1.00 ATOM 236 CA GLY 202 31.604 2.706 16.365 1.00 1.00 ATOM 237 CA THR 203 33.053 -0.507 17.728 1.00 1.00 ATOM 238 CA SER 204 33.866 -2.377 20.916 1.00 1.00 ATOM 239 CA SER 205 35.383 -5.460 19.283 1.00 1.00 ATOM 240 CA GLY 206 37.027 -4.441 16.004 1.00 1.00 ATOM 241 CA ILE 207 40.472 -3.139 16.934 1.00 1.00 ATOM 242 CA SER 208 42.211 -6.434 17.484 1.00 1.00 ATOM 243 CA ILE 209 41.156 -7.597 14.013 1.00 1.00 ATOM 244 CA ALA 210 42.450 -4.359 12.417 1.00 1.00 ATOM 245 CA GLU 211 45.810 -4.692 14.203 1.00 1.00 ATOM 246 CA GLU 212 46.078 -8.321 13.111 1.00 1.00 ATOM 247 CA PHE 213 45.431 -7.296 9.494 1.00 1.00 ATOM 248 CA LEU 214 48.264 -4.739 9.855 1.00 1.00 ATOM 249 CA LYS 215 50.692 -7.303 11.306 1.00 1.00 ATOM 250 CA ARG 216 50.345 -6.421 15.024 1.00 1.00 ATOM 251 CA HIS 217 48.745 -9.842 15.074 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 11:44:24 2002 Date: Mon, 19 Aug 2002 11:44:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 Mon Aug 19 11:16:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_304125_27684 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS007_3 Current information on models submitted in prediction T0178TS007 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1JCL_B # Loading PARENT structure: 1jcl (chain: B) # Number of residues in PARENT structure: 250 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 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 V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue K 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue I 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 207 # Total number of atoms in model: 207 # Number of atoms with 1.0 occupancy: 207 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 207 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1JCL_B ATOM 9 CA ILE 2 7.605 8.616 62.296 1.00 1.00 ATOM 10 CA ASP 3 10.191 11.356 62.685 1.00 1.00 ATOM 11 CA VAL 4 12.918 9.146 61.261 1.00 1.00 ATOM 12 CA ARG 5 10.785 8.161 58.284 1.00 1.00 ATOM 13 CA LYS 6 10.209 11.801 57.387 1.00 1.00 ATOM 14 CA TYR 7 13.974 12.461 57.674 1.00 1.00 ATOM 15 CA ILE 8 15.024 9.526 55.485 1.00 1.00 ATOM 16 CA ASP 9 17.156 9.727 52.357 1.00 1.00 ATOM 17 CA ASN 10 15.767 6.436 51.033 1.00 1.00 ATOM 18 CA ALA 11 18.687 4.906 49.149 1.00 1.00 ATOM 19 CA ALA 12 19.664 2.460 46.468 1.00 1.00 ATOM 20 CA LEU 13 23.324 2.486 45.430 1.00 1.00 ATOM 21 CA LYS 14 24.110 -0.893 43.855 1.00 1.00 ATOM 22 CA PRO 15 25.876 -2.333 40.984 1.00 1.00 ATOM 23 CA HIS 16 22.780 -3.896 39.633 1.00 1.00 ATOM 24 CA LEU 17 20.556 -0.848 39.898 1.00 1.00 ATOM 25 CA SER 18 18.162 -0.213 37.007 1.00 1.00 ATOM 26 CA GLU 19 15.441 2.222 36.095 1.00 1.00 ATOM 27 CA LYS 20 12.905 -0.311 37.335 1.00 1.00 ATOM 28 CA GLU 21 14.600 -0.544 40.773 1.00 1.00 ATOM 29 CA ILE 22 14.744 3.241 41.038 1.00 1.00 ATOM 30 CA GLU 23 11.066 3.608 40.034 1.00 1.00 ATOM 31 CA GLU 24 10.189 1.066 42.724 1.00 1.00 ATOM 32 CA PHE 25 12.231 3.069 45.276 1.00 1.00 ATOM 33 CA VAL 26 10.374 6.240 44.371 1.00 1.00 ATOM 34 CA LEU 27 7.043 4.479 45.018 1.00 1.00 ATOM 35 CA LYS 28 8.378 3.201 48.337 1.00 1.00 ATOM 36 CA SER 29 9.227 6.753 49.420 1.00 1.00 ATOM 37 CA GLU 30 5.507 7.585 49.325 1.00 1.00 ATOM 40 CA GLU 31 2.113 7.705 56.977 1.00 1.00 ATOM 41 CA LEU 32 4.021 10.283 54.913 1.00 1.00 ATOM 42 CA GLY 33 6.885 10.781 52.534 1.00 1.00 ATOM 43 CA ILE 34 10.582 10.386 53.100 1.00 1.00 ATOM 44 CA TYR 35 12.659 13.549 52.924 1.00 1.00 ATOM 45 CA ALA 36 14.537 12.365 49.852 1.00 1.00 ATOM 46 CA VAL 37 15.764 9.518 47.802 1.00 1.00 ATOM 47 CA CYS 38 19.456 8.900 47.117 1.00 1.00 ATOM 48 CA VAL 39 20.470 7.237 43.846 1.00 1.00 ATOM 49 CA ASN 40 23.371 7.240 41.382 1.00 1.00 ATOM 50 CA PRO 41 23.380 10.360 39.175 1.00 1.00 ATOM 51 CA TYR 42 22.318 8.633 35.949 1.00 1.00 ATOM 52 CA HIS 43 18.971 7.728 37.545 1.00 1.00 ATOM 53 CA VAL 44 18.061 11.287 38.551 1.00 1.00 ATOM 54 CA LYS 45 15.935 12.134 35.451 1.00 1.00 ATOM 55 CA LEU 46 13.749 9.030 35.654 1.00 1.00 ATOM 56 CA ALA 47 13.405 9.429 39.423 1.00 1.00 ATOM 57 CA SER 48 12.305 13.049 39.002 1.00 1.00 ATOM 58 CA SER 49 9.643 11.973 36.480 1.00 1.00 ATOM 59 CA ILE 50 8.428 9.200 38.733 1.00 1.00 ATOM 60 CA ALA 51 8.190 11.422 41.813 1.00 1.00 ATOM 61 CA LYS 52 6.296 13.979 39.807 1.00 1.00 ATOM 62 CA LYS 53 3.787 11.502 38.355 1.00 1.00 ATOM 68 CA VAL 54 10.676 14.474 47.811 1.00 1.00 ATOM 69 CA LYS 55 14.206 15.648 47.183 1.00 1.00 ATOM 70 CA VAL 56 16.707 13.857 44.976 1.00 1.00 ATOM 71 CA CYS 57 20.145 13.322 46.473 1.00 1.00 ATOM 72 CA CYS 58 23.046 11.588 44.772 1.00 1.00 ATOM 73 CA VAL 59 26.671 10.696 45.415 1.00 1.00 ATOM 74 CA ILE 60 29.985 11.816 43.935 1.00 1.00 ATOM 75 CA GLY 61 33.634 10.907 44.490 1.00 1.00 ATOM 76 CA PHE 62 31.967 7.678 45.587 1.00 1.00 ATOM 77 CA PRO 63 32.630 5.396 47.344 1.00 1.00 ATOM 78 CA LEU 64 36.385 5.628 47.328 1.00 1.00 ATOM 79 CA GLY 65 37.017 9.210 48.386 1.00 1.00 ATOM 80 CA LEU 66 39.941 9.723 46.067 1.00 1.00 ATOM 81 CA ASN 67 41.927 12.944 46.217 1.00 1.00 ATOM 82 CA LYS 68 41.525 14.045 42.579 1.00 1.00 ATOM 83 CA THR 69 39.627 17.313 42.843 1.00 1.00 ATOM 84 CA SER 70 39.072 17.621 39.116 1.00 1.00 ATOM 85 CA VAL 71 37.297 14.270 39.016 1.00 1.00 ATOM 86 CA LYS 72 35.190 14.974 42.112 1.00 1.00 ATOM 87 CA VAL 73 34.217 18.371 40.732 1.00 1.00 ATOM 88 CA LYS 74 33.337 17.052 37.268 1.00 1.00 ATOM 89 CA GLU 75 31.104 14.389 38.835 1.00 1.00 ATOM 90 CA ALA 76 29.468 17.062 41.014 1.00 1.00 ATOM 91 CA VAL 77 28.854 19.296 38.016 1.00 1.00 ATOM 92 CA GLU 78 27.314 16.358 36.203 1.00 1.00 ATOM 93 CA ALA 79 25.078 15.557 39.170 1.00 1.00 ATOM 94 CA VAL 80 23.900 19.189 39.138 1.00 1.00 ATOM 95 CA ARG 81 23.259 18.992 35.383 1.00 1.00 ATOM 96 CA ASP 82 21.239 15.780 35.703 1.00 1.00 ATOM 97 CA GLY 83 19.047 17.709 38.161 1.00 1.00 ATOM 98 CA ALA 84 20.198 16.729 41.669 1.00 1.00 ATOM 99 CA GLN 85 18.769 18.642 44.607 1.00 1.00 ATOM 100 CA GLU 86 21.628 17.478 46.857 1.00 1.00 ATOM 101 CA LEU 87 25.063 15.934 46.379 1.00 1.00 ATOM 102 CA ASP 88 26.716 13.694 48.972 1.00 1.00 ATOM 103 CA ILE 89 30.455 13.811 48.179 1.00 1.00 ATOM 104 CA VAL 90 33.074 11.537 49.726 1.00 1.00 ATOM 105 CA TRP 91 35.826 13.404 51.589 1.00 1.00 ATOM 106 CA ASN 92 39.431 12.382 50.696 1.00 1.00 ATOM 107 CA LEU 93 39.836 10.555 53.970 1.00 1.00 ATOM 108 CA SER 94 42.913 8.504 53.016 1.00 1.00 ATOM 109 CA ALA 95 44.684 11.740 52.165 1.00 1.00 ATOM 110 CA PHE 96 43.849 13.065 55.634 1.00 1.00 ATOM 111 CA LYS 97 45.101 9.804 57.202 1.00 1.00 ATOM 112 CA SER 98 48.355 10.447 55.287 1.00 1.00 ATOM 113 CA GLU 99 48.656 13.950 56.831 1.00 1.00 ATOM 114 CA LYS 100 47.133 16.018 54.035 1.00 1.00 ATOM 115 CA TYR 101 44.440 18.316 55.461 1.00 1.00 ATOM 116 CA ASP 102 44.506 20.741 52.580 1.00 1.00 ATOM 117 CA PHE 103 43.225 18.526 49.789 1.00 1.00 ATOM 118 CA VAL 104 40.041 17.749 51.759 1.00 1.00 ATOM 119 CA VAL 105 39.456 21.441 52.316 1.00 1.00 ATOM 120 CA GLU 106 40.018 22.209 48.645 1.00 1.00 ATOM 121 CA GLU 107 37.916 19.332 47.375 1.00 1.00 ATOM 122 CA LEU 108 34.920 20.178 49.542 1.00 1.00 ATOM 123 CA LYS 109 35.223 23.874 48.804 1.00 1.00 ATOM 124 CA GLU 110 35.290 23.316 45.028 1.00 1.00 ATOM 125 CA ILE 111 32.224 21.090 45.195 1.00 1.00 ATOM 126 CA PHE 112 30.411 23.504 47.522 1.00 1.00 ATOM 127 CA ARG 113 30.974 26.410 45.199 1.00 1.00 ATOM 128 CA GLU 114 29.416 24.499 42.268 1.00 1.00 ATOM 129 CA THR 115 26.496 23.310 44.385 1.00 1.00 ATOM 130 CA PRO 116 25.793 26.698 46.007 1.00 1.00 ATOM 133 CA SER 117 21.027 26.001 44.837 1.00 1.00 ATOM 134 CA ALA 118 22.050 22.402 45.570 1.00 1.00 ATOM 135 CA VAL 119 22.964 21.254 49.130 1.00 1.00 ATOM 136 CA HIS 120 26.306 19.559 49.710 1.00 1.00 ATOM 137 CA LYS 121 26.694 16.710 52.198 1.00 1.00 ATOM 138 CA VAL 122 30.231 15.448 52.965 1.00 1.00 ATOM 139 CA ILE 123 30.832 11.804 53.775 1.00 1.00 ATOM 140 CA VAL 124 33.922 11.457 56.000 1.00 1.00 ATOM 141 CA GLU 125 33.968 7.610 56.277 1.00 1.00 ATOM 142 CA THR 126 34.248 7.299 60.063 1.00 1.00 ATOM 143 CA PRO 127 34.755 3.521 59.886 1.00 1.00 ATOM 144 CA TYR 128 37.965 3.981 57.922 1.00 1.00 ATOM 145 CA LEU 129 39.189 7.037 59.809 1.00 1.00 ATOM 147 CA ASN 130 40.380 7.411 65.476 1.00 1.00 ATOM 148 CA GLU 131 38.286 10.031 67.273 1.00 1.00 ATOM 149 CA GLU 132 40.769 12.808 66.523 1.00 1.00 ATOM 150 CA GLU 133 40.652 12.080 62.802 1.00 1.00 ATOM 151 CA ILE 134 36.839 11.956 62.834 1.00 1.00 ATOM 152 CA LYS 135 36.825 15.344 64.479 1.00 1.00 ATOM 153 CA LYS 136 39.394 16.732 62.097 1.00 1.00 ATOM 154 CA ALA 137 37.628 15.575 58.944 1.00 1.00 ATOM 155 CA VAL 138 34.375 16.983 60.324 1.00 1.00 ATOM 156 CA GLU 139 36.056 20.329 61.100 1.00 1.00 ATOM 157 CA ILE 140 37.749 20.639 57.693 1.00 1.00 ATOM 158 CA CYS 141 34.496 19.785 55.933 1.00 1.00 ATOM 159 CA ILE 142 32.569 22.382 57.921 1.00 1.00 ATOM 160 CA GLU 143 35.231 25.053 57.298 1.00 1.00 ATOM 161 CA ALA 144 35.150 24.252 53.578 1.00 1.00 ATOM 162 CA GLY 145 31.383 24.759 53.432 1.00 1.00 ATOM 163 CA ALA 146 29.655 21.451 54.023 1.00 1.00 ATOM 164 CA ASP 147 25.886 21.806 54.498 1.00 1.00 ATOM 165 CA PHE 148 25.792 18.364 56.133 1.00 1.00 ATOM 166 CA ILE 149 28.387 15.957 57.464 1.00 1.00 ATOM 167 CA LYS 150 27.624 12.274 56.909 1.00 1.00 ATOM 168 CA THR 151 29.253 9.312 58.663 1.00 1.00 ATOM 169 CA SER 152 29.785 6.777 55.950 1.00 1.00 ATOM 170 CA THR 153 29.312 5.449 52.447 1.00 1.00 ATOM 171 CA GLY 154 27.711 2.197 53.593 1.00 1.00 ATOM 172 CA PHE 155 30.279 0.412 51.374 1.00 1.00 ATOM 173 CA ALA 156 33.023 -0.326 53.943 1.00 1.00 ATOM 174 CA PRO 157 33.041 -2.729 56.867 1.00 1.00 ATOM 175 CA ARG 158 32.164 -0.228 59.626 1.00 1.00 ATOM 176 CA GLY 159 29.642 2.585 59.001 1.00 1.00 ATOM 177 CA THR 160 27.438 4.572 61.381 1.00 1.00 ATOM 178 CA THR 161 27.774 3.935 65.094 1.00 1.00 ATOM 179 CA LEU 162 26.217 5.924 67.947 1.00 1.00 ATOM 180 CA GLU 163 29.744 6.808 69.110 1.00 1.00 ATOM 181 CA GLU 164 30.815 8.179 65.715 1.00 1.00 ATOM 182 CA VAL 165 27.538 10.072 65.409 1.00 1.00 ATOM 183 CA ARG 166 28.056 11.661 68.826 1.00 1.00 ATOM 184 CA LEU 167 31.620 12.721 67.922 1.00 1.00 ATOM 185 CA ILE 168 30.479 14.367 64.680 1.00 1.00 ATOM 186 CA LYS 169 27.539 16.149 66.279 1.00 1.00 ATOM 187 CA SER 170 29.796 17.357 69.081 1.00 1.00 ATOM 188 CA SER 171 31.967 18.980 66.380 1.00 1.00 ATOM 189 CA ALA 172 28.929 20.757 64.968 1.00 1.00 ATOM 195 CA LYS 173 24.283 23.790 64.217 1.00 1.00 ATOM 196 CA GLY 174 22.130 26.324 62.343 1.00 1.00 ATOM 197 CA ARG 175 24.073 25.814 59.078 1.00 1.00 ATOM 198 CA ILE 176 25.334 22.226 59.250 1.00 1.00 ATOM 199 CA LYS 177 23.198 19.127 59.451 1.00 1.00 ATOM 200 CA VAL 178 24.078 15.547 60.380 1.00 1.00 ATOM 201 CA LYS 179 23.419 12.292 58.519 1.00 1.00 ATOM 202 CA ALA 180 24.180 8.879 59.971 1.00 1.00 ATOM 203 CA SER 181 24.400 6.324 57.165 1.00 1.00 ATOM 204 CA GLY 182 25.230 2.709 56.633 1.00 1.00 ATOM 205 CA GLY 183 23.927 -0.157 58.659 1.00 1.00 ATOM 206 CA ILE 184 20.967 1.770 60.217 1.00 1.00 ATOM 207 CA ARG 185 18.385 -0.988 59.936 1.00 1.00 ATOM 208 CA ASP 186 15.896 -1.007 62.832 1.00 1.00 ATOM 209 CA LEU 187 13.484 1.420 64.414 1.00 1.00 ATOM 210 CA GLU 188 15.498 1.136 67.657 1.00 1.00 ATOM 211 CA THR 189 18.663 2.066 65.773 1.00 1.00 ATOM 212 CA ALA 190 17.014 5.205 64.429 1.00 1.00 ATOM 213 CA ILE 191 15.732 6.037 67.875 1.00 1.00 ATOM 226 CA SER 192 13.305 20.711 67.770 1.00 1.00 ATOM 227 CA MET 193 16.674 20.799 66.010 1.00 1.00 ATOM 228 CA ILE 194 16.495 17.688 63.822 1.00 1.00 ATOM 229 CA GLU 195 14.364 18.849 60.899 1.00 1.00 ATOM 230 CA ALA 196 15.001 17.960 57.274 1.00 1.00 ATOM 231 CA GLY 197 17.544 20.742 56.786 1.00 1.00 ATOM 232 CA ALA 198 19.549 19.517 59.800 1.00 1.00 ATOM 233 CA ASP 199 19.105 15.721 59.965 1.00 1.00 ATOM 234 CA ARG 200 18.754 12.831 57.543 1.00 1.00 ATOM 235 CA ILE 201 18.980 9.054 57.730 1.00 1.00 ATOM 236 CA GLY 202 20.959 7.418 54.933 1.00 1.00 ATOM 237 CA THR 203 19.304 4.038 54.645 1.00 1.00 ATOM 238 CA SER 204 18.537 1.424 52.001 1.00 1.00 ATOM 239 CA SER 205 16.962 -0.984 54.448 1.00 1.00 ATOM 240 CA GLY 206 15.336 0.857 57.471 1.00 1.00 ATOM 241 CA ILE 207 11.995 1.975 56.084 1.00 1.00 ATOM 242 CA SER 208 10.234 -1.377 56.463 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 11:49:18 2002 Date: Mon, 19 Aug 2002 11:49:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 Mon Aug 19 11:21:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_353436_27695 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS007_4 Current information on models submitted in prediction T0178TS007 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_4 PIN_353436_27695 6269-7633-6117 08/19/02 11:21:13 casp5@bialko.llnl.gov T0178TS007_1 PIN_345104_27693 6269-7633-6117 08/19/02 11:20:23 casp5@bialko.llnl.gov T0178TS007_5 PIN_314282_27688 6269-7633-6117 08/19/02 11:17:45 casp5@bialko.llnl.gov T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_1 PIN_345104_27693 6269-7633-6117 08/19/02 11:20:23 casp5@bialko.llnl.gov T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov T0178TS007_4 PIN_353436_27695 6269-7633-6117 08/19/02 11:21:13 casp5@bialko.llnl.gov T0178TS007_5 PIN_314282_27688 6269-7633-6117 08/19/02 11:17:45 casp5@bialko.llnl.gov T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1JCJ_B # Loading PARENT structure: 1jcj (chain: B) # Number of residues in PARENT structure: 250 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 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 V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue K 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue I 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 207 # Total number of atoms in model: 207 # Number of atoms with 1.0 occupancy: 207 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 207 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JCJ_B ATOM 9 CA ILE 2 7.661 9.004 62.298 1.00 1.00 ATOM 10 CA ASP 3 10.228 11.736 62.674 1.00 1.00 ATOM 11 CA VAL 4 12.923 9.519 61.234 1.00 1.00 ATOM 12 CA ARG 5 10.784 8.553 58.261 1.00 1.00 ATOM 13 CA LYS 6 10.154 12.194 57.403 1.00 1.00 ATOM 14 CA TYR 7 13.923 12.867 57.684 1.00 1.00 ATOM 15 CA ILE 8 14.997 9.942 55.511 1.00 1.00 ATOM 16 CA ASP 9 17.174 10.096 52.418 1.00 1.00 ATOM 17 CA ASN 10 15.795 6.816 51.022 1.00 1.00 ATOM 18 CA ALA 11 18.700 5.252 49.151 1.00 1.00 ATOM 19 CA ALA 12 19.609 2.849 46.403 1.00 1.00 ATOM 20 CA LEU 13 23.279 2.836 45.386 1.00 1.00 ATOM 21 CA LYS 14 24.075 -0.537 43.833 1.00 1.00 ATOM 22 CA PRO 15 25.886 -2.028 40.978 1.00 1.00 ATOM 23 CA HIS 16 22.773 -3.563 39.552 1.00 1.00 ATOM 24 CA LEU 17 20.558 -0.497 39.814 1.00 1.00 ATOM 25 CA SER 18 18.169 0.161 36.952 1.00 1.00 ATOM 26 CA GLU 19 15.437 2.632 36.081 1.00 1.00 ATOM 27 CA LYS 20 12.831 0.097 37.246 1.00 1.00 ATOM 28 CA GLU 21 14.509 -0.140 40.717 1.00 1.00 ATOM 29 CA ILE 22 14.720 3.660 40.997 1.00 1.00 ATOM 30 CA GLU 23 11.081 4.002 39.994 1.00 1.00 ATOM 31 CA GLU 24 10.180 1.469 42.691 1.00 1.00 ATOM 32 CA PHE 25 12.221 3.447 45.217 1.00 1.00 ATOM 33 CA VAL 26 10.364 6.632 44.331 1.00 1.00 ATOM 34 CA LEU 27 7.080 4.850 44.972 1.00 1.00 ATOM 35 CA LYS 28 8.433 3.582 48.320 1.00 1.00 ATOM 36 CA SER 29 9.260 7.159 49.357 1.00 1.00 ATOM 37 CA GLU 30 5.515 8.036 49.285 1.00 1.00 ATOM 40 CA GLU 31 2.158 8.057 56.905 1.00 1.00 ATOM 41 CA LEU 32 4.054 10.686 54.894 1.00 1.00 ATOM 42 CA GLY 33 6.875 11.193 52.426 1.00 1.00 ATOM 43 CA ILE 34 10.581 10.781 53.043 1.00 1.00 ATOM 44 CA TYR 35 12.650 13.930 52.870 1.00 1.00 ATOM 45 CA ALA 36 14.624 12.769 49.866 1.00 1.00 ATOM 46 CA VAL 37 15.871 9.898 47.825 1.00 1.00 ATOM 47 CA CYS 38 19.566 9.233 47.154 1.00 1.00 ATOM 48 CA VAL 39 20.521 7.597 43.858 1.00 1.00 ATOM 49 CA ASN 40 23.380 7.544 41.372 1.00 1.00 ATOM 50 CA PRO 41 23.390 10.648 39.151 1.00 1.00 ATOM 51 CA TYR 42 22.337 8.966 35.942 1.00 1.00 ATOM 52 CA HIS 43 18.969 8.100 37.496 1.00 1.00 ATOM 53 CA VAL 44 18.079 11.660 38.510 1.00 1.00 ATOM 54 CA LYS 45 15.967 12.514 35.442 1.00 1.00 ATOM 55 CA LEU 46 13.768 9.397 35.646 1.00 1.00 ATOM 56 CA ALA 47 13.432 9.795 39.400 1.00 1.00 ATOM 57 CA SER 48 12.354 13.445 38.971 1.00 1.00 ATOM 58 CA SER 49 9.688 12.413 36.443 1.00 1.00 ATOM 59 CA ILE 50 8.463 9.618 38.672 1.00 1.00 ATOM 60 CA ALA 51 8.225 11.789 41.777 1.00 1.00 ATOM 61 CA LYS 52 6.343 14.395 39.822 1.00 1.00 ATOM 62 CA LYS 53 3.886 11.958 38.309 1.00 1.00 ATOM 68 CA VAL 54 10.761 14.854 47.754 1.00 1.00 ATOM 69 CA LYS 55 14.305 16.019 47.175 1.00 1.00 ATOM 70 CA VAL 56 16.789 14.222 44.972 1.00 1.00 ATOM 71 CA CYS 57 20.227 13.667 46.441 1.00 1.00 ATOM 72 CA CYS 58 23.138 11.921 44.714 1.00 1.00 ATOM 73 CA VAL 59 26.754 11.007 45.369 1.00 1.00 ATOM 74 CA ILE 60 30.063 12.141 43.903 1.00 1.00 ATOM 75 CA GLY 61 33.686 11.236 44.433 1.00 1.00 ATOM 76 CA PHE 62 32.052 8.019 45.545 1.00 1.00 ATOM 77 CA PRO 63 32.693 5.729 47.274 1.00 1.00 ATOM 78 CA LEU 64 36.444 5.999 47.308 1.00 1.00 ATOM 79 CA GLY 65 37.064 9.594 48.326 1.00 1.00 ATOM 80 CA LEU 66 40.025 10.091 45.996 1.00 1.00 ATOM 81 CA ASN 67 41.961 13.337 46.159 1.00 1.00 ATOM 82 CA LYS 68 41.583 14.444 42.516 1.00 1.00 ATOM 83 CA THR 69 39.692 17.676 42.773 1.00 1.00 ATOM 84 CA SER 70 39.149 17.960 39.039 1.00 1.00 ATOM 85 CA VAL 71 37.357 14.626 38.882 1.00 1.00 ATOM 86 CA LYS 72 35.244 15.320 41.984 1.00 1.00 ATOM 87 CA VAL 73 34.302 18.706 40.635 1.00 1.00 ATOM 88 CA LYS 74 33.351 17.406 37.168 1.00 1.00 ATOM 89 CA GLU 75 31.173 14.753 38.773 1.00 1.00 ATOM 90 CA ALA 76 29.527 17.403 40.952 1.00 1.00 ATOM 91 CA VAL 77 28.899 19.615 37.961 1.00 1.00 ATOM 92 CA GLU 78 27.357 16.692 36.141 1.00 1.00 ATOM 93 CA ALA 79 25.144 15.872 39.123 1.00 1.00 ATOM 94 CA VAL 80 23.955 19.481 39.100 1.00 1.00 ATOM 95 CA ARG 81 23.293 19.305 35.343 1.00 1.00 ATOM 96 CA ASP 82 21.264 16.084 35.706 1.00 1.00 ATOM 97 CA GLY 83 19.082 18.004 38.139 1.00 1.00 ATOM 98 CA ALA 84 20.243 17.052 41.665 1.00 1.00 ATOM 99 CA GLN 85 18.846 18.994 44.595 1.00 1.00 ATOM 100 CA GLU 86 21.700 17.828 46.822 1.00 1.00 ATOM 101 CA LEU 87 25.122 16.314 46.294 1.00 1.00 ATOM 102 CA ASP 88 26.828 14.041 48.863 1.00 1.00 ATOM 103 CA ILE 89 30.575 14.217 48.102 1.00 1.00 ATOM 104 CA VAL 90 33.152 11.912 49.664 1.00 1.00 ATOM 105 CA TRP 91 35.897 13.769 51.531 1.00 1.00 ATOM 106 CA ASN 92 39.513 12.745 50.662 1.00 1.00 ATOM 107 CA LEU 93 39.893 10.920 53.932 1.00 1.00 ATOM 108 CA SER 94 42.939 8.888 52.952 1.00 1.00 ATOM 109 CA ALA 95 44.763 12.131 52.101 1.00 1.00 ATOM 110 CA PHE 96 43.892 13.462 55.558 1.00 1.00 ATOM 111 CA LYS 97 45.130 10.205 57.146 1.00 1.00 ATOM 112 CA SER 98 48.383 10.830 55.278 1.00 1.00 ATOM 113 CA GLU 99 48.620 14.329 56.837 1.00 1.00 ATOM 114 CA LYS 100 47.198 16.412 53.978 1.00 1.00 ATOM 115 CA TYR 101 44.486 18.695 55.394 1.00 1.00 ATOM 116 CA ASP 102 44.584 21.125 52.484 1.00 1.00 ATOM 117 CA PHE 103 43.268 18.884 49.718 1.00 1.00 ATOM 118 CA VAL 104 40.078 18.144 51.632 1.00 1.00 ATOM 119 CA VAL 105 39.507 21.837 52.202 1.00 1.00 ATOM 120 CA GLU 106 40.121 22.583 48.554 1.00 1.00 ATOM 121 CA GLU 107 37.965 19.689 47.306 1.00 1.00 ATOM 122 CA LEU 108 34.970 20.533 49.464 1.00 1.00 ATOM 123 CA LYS 109 35.309 24.248 48.715 1.00 1.00 ATOM 124 CA GLU 110 35.349 23.676 44.954 1.00 1.00 ATOM 125 CA ILE 111 32.284 21.442 45.098 1.00 1.00 ATOM 126 CA PHE 112 30.451 23.875 47.405 1.00 1.00 ATOM 127 CA ARG 113 31.100 26.784 45.061 1.00 1.00 ATOM 128 CA GLU 114 29.495 24.842 42.175 1.00 1.00 ATOM 129 CA THR 115 26.564 23.674 44.318 1.00 1.00 ATOM 130 CA PRO 116 25.850 27.063 45.844 1.00 1.00 ATOM 133 CA SER 117 21.068 26.360 44.674 1.00 1.00 ATOM 134 CA ALA 118 22.137 22.779 45.473 1.00 1.00 ATOM 135 CA VAL 119 23.050 21.671 49.014 1.00 1.00 ATOM 136 CA HIS 120 26.396 19.941 49.598 1.00 1.00 ATOM 137 CA LYS 121 26.745 17.071 52.052 1.00 1.00 ATOM 138 CA VAL 122 30.255 15.835 52.866 1.00 1.00 ATOM 139 CA ILE 123 30.848 12.191 53.669 1.00 1.00 ATOM 140 CA VAL 124 33.921 11.856 55.927 1.00 1.00 ATOM 141 CA GLU 125 33.976 8.017 56.199 1.00 1.00 ATOM 142 CA THR 126 34.258 7.711 59.983 1.00 1.00 ATOM 143 CA PRO 127 34.767 3.960 59.771 1.00 1.00 ATOM 144 CA TYR 128 37.971 4.391 57.841 1.00 1.00 ATOM 145 CA LEU 129 39.226 7.466 59.727 1.00 1.00 ATOM 147 CA ASN 130 40.396 7.842 65.451 1.00 1.00 ATOM 148 CA GLU 131 38.340 10.485 67.182 1.00 1.00 ATOM 149 CA GLU 132 40.824 13.235 66.437 1.00 1.00 ATOM 150 CA GLU 133 40.675 12.491 62.706 1.00 1.00 ATOM 151 CA ILE 134 36.865 12.358 62.757 1.00 1.00 ATOM 152 CA LYS 135 36.840 15.774 64.411 1.00 1.00 ATOM 153 CA LYS 136 39.434 17.150 62.014 1.00 1.00 ATOM 154 CA ALA 137 37.657 15.975 58.861 1.00 1.00 ATOM 155 CA VAL 138 34.408 17.394 60.235 1.00 1.00 ATOM 156 CA GLU 139 36.097 20.732 61.003 1.00 1.00 ATOM 157 CA ILE 140 37.769 21.052 57.612 1.00 1.00 ATOM 158 CA CYS 141 34.531 20.181 55.860 1.00 1.00 ATOM 159 CA ILE 142 32.616 22.786 57.822 1.00 1.00 ATOM 160 CA GLU 143 35.241 25.467 57.191 1.00 1.00 ATOM 161 CA ALA 144 35.185 24.634 53.482 1.00 1.00 ATOM 162 CA GLY 145 31.415 25.151 53.350 1.00 1.00 ATOM 163 CA ALA 146 29.693 21.823 53.918 1.00 1.00 ATOM 164 CA ASP 147 25.923 22.216 54.381 1.00 1.00 ATOM 165 CA PHE 148 25.792 18.783 56.049 1.00 1.00 ATOM 166 CA ILE 149 28.384 16.329 57.353 1.00 1.00 ATOM 167 CA LYS 150 27.613 12.654 56.783 1.00 1.00 ATOM 168 CA THR 151 29.235 9.740 58.549 1.00 1.00 ATOM 169 CA SER 152 29.772 7.201 55.857 1.00 1.00 ATOM 170 CA THR 153 29.335 5.872 52.364 1.00 1.00 ATOM 171 CA GLY 154 27.701 2.620 53.480 1.00 1.00 ATOM 172 CA PHE 155 30.305 0.816 51.334 1.00 1.00 ATOM 173 CA ALA 156 33.033 0.078 53.887 1.00 1.00 ATOM 174 CA PRO 157 33.032 -2.351 56.817 1.00 1.00 ATOM 175 CA ARG 158 32.174 0.175 59.582 1.00 1.00 ATOM 176 CA GLY 159 29.676 2.974 58.957 1.00 1.00 ATOM 177 CA THR 160 27.470 4.971 61.348 1.00 1.00 ATOM 178 CA THR 161 27.814 4.343 65.049 1.00 1.00 ATOM 179 CA LEU 162 26.315 6.319 67.906 1.00 1.00 ATOM 180 CA GLU 163 29.877 7.251 69.048 1.00 1.00 ATOM 181 CA GLU 164 30.885 8.623 65.671 1.00 1.00 ATOM 182 CA VAL 165 27.595 10.488 65.366 1.00 1.00 ATOM 183 CA ARG 166 28.103 12.102 68.755 1.00 1.00 ATOM 184 CA LEU 167 31.657 13.160 67.836 1.00 1.00 ATOM 185 CA ILE 168 30.495 14.793 64.613 1.00 1.00 ATOM 186 CA LYS 169 27.554 16.534 66.244 1.00 1.00 ATOM 187 CA SER 170 29.857 17.799 69.002 1.00 1.00 ATOM 188 CA SER 171 32.032 19.402 66.324 1.00 1.00 ATOM 189 CA ALA 172 28.977 21.203 64.906 1.00 1.00 ATOM 195 CA LYS 173 24.323 24.234 64.130 1.00 1.00 ATOM 196 CA GLY 174 22.179 26.759 62.282 1.00 1.00 ATOM 197 CA ARG 175 24.080 26.223 58.992 1.00 1.00 ATOM 198 CA ILE 176 25.377 22.645 59.147 1.00 1.00 ATOM 199 CA LYS 177 23.261 19.501 59.405 1.00 1.00 ATOM 200 CA VAL 178 24.157 15.935 60.286 1.00 1.00 ATOM 201 CA LYS 179 23.455 12.586 58.637 1.00 1.00 ATOM 202 CA ALA 180 24.160 9.143 60.128 1.00 1.00 ATOM 203 CA SER 181 24.458 6.786 57.187 1.00 1.00 ATOM 204 CA GLY 182 25.339 3.191 56.517 1.00 1.00 ATOM 205 CA GLY 183 23.994 0.245 58.399 1.00 1.00 ATOM 206 CA ILE 184 21.062 2.099 60.020 1.00 1.00 ATOM 207 CA ARG 185 18.425 -0.611 59.781 1.00 1.00 ATOM 208 CA ASP 186 15.992 -0.612 62.712 1.00 1.00 ATOM 209 CA LEU 187 13.622 1.786 64.362 1.00 1.00 ATOM 210 CA GLU 188 15.579 1.437 67.591 1.00 1.00 ATOM 211 CA THR 189 18.821 2.470 65.775 1.00 1.00 ATOM 212 CA ALA 190 17.094 5.584 64.425 1.00 1.00 ATOM 213 CA ILE 191 15.810 6.395 67.869 1.00 1.00 ATOM 226 CA SER 192 13.379 21.118 67.687 1.00 1.00 ATOM 227 CA MET 193 16.743 21.222 65.925 1.00 1.00 ATOM 228 CA ILE 194 16.522 18.104 63.760 1.00 1.00 ATOM 229 CA GLU 195 14.415 19.254 60.819 1.00 1.00 ATOM 230 CA ALA 196 15.096 18.362 57.181 1.00 1.00 ATOM 231 CA GLY 197 17.626 21.143 56.767 1.00 1.00 ATOM 232 CA ALA 198 19.614 19.933 59.729 1.00 1.00 ATOM 233 CA ASP 199 19.164 16.163 59.925 1.00 1.00 ATOM 234 CA ARG 200 18.645 13.209 57.611 1.00 1.00 ATOM 235 CA ILE 201 18.863 9.427 57.842 1.00 1.00 ATOM 236 CA GLY 202 20.891 8.057 54.939 1.00 1.00 ATOM 237 CA THR 203 19.452 4.586 54.525 1.00 1.00 ATOM 238 CA SER 204 18.591 1.884 52.018 1.00 1.00 ATOM 239 CA SER 205 17.114 -0.625 54.451 1.00 1.00 ATOM 240 CA GLY 206 15.486 1.334 57.322 1.00 1.00 ATOM 241 CA ILE 207 12.035 2.290 56.032 1.00 1.00 ATOM 242 CA SER 208 10.335 -1.070 56.446 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 19 11:46:08 2002 Date: Mon, 19 Aug 2002 11:46:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 Mon Aug 19 11:17:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_314282_27688 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS007_5 Current information on models submitted in prediction T0178TS007 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_5 PIN_314282_27688 6269-7633-6117 08/19/02 11:17:45 casp5@bialko.llnl.gov T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS007_2 PIN_308497_27686 6269-7633-6117 08/19/02 11:16:57 casp5@bialko.llnl.gov T0178TS007_3 PIN_304125_27684 6269-7633-6117 08/19/02 11:16:20 casp5@bialko.llnl.gov T0178TS007_5 PIN_314282_27688 6269-7633-6117 08/19/02 11:17:45 casp5@bialko.llnl.gov T0178SS007_1 PIN_558965_21224 6269-7633-6117 08/12/02 20:43:24 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 T0178 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1AK5 # Loading PARENT structure: 1ak5 (chain: ) # Number of residues in PARENT structure: 329 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue I 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue A 210 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue E 212 # IMPORTANT NOTE! Not complete main chain atoms for residue F 213 # IMPORTANT NOTE! Not complete main chain atoms for residue L 214 # IMPORTANT NOTE! Not complete main chain atoms for residue K 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue H 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue I 219 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 172 # Total number of atoms in model: 172 # Number of atoms with 1.0 occupancy: 172 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 172 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1AK5 ATOM 51 CA MET 1 77.484 38.818 23.989 1.00 1.00 ATOM 52 CA ILE 2 77.791 42.301 22.440 1.00 1.00 ATOM 53 CA ASP 3 76.035 45.454 23.745 1.00 1.00 ATOM 54 CA VAL 4 74.267 46.231 20.458 1.00 1.00 ATOM 55 CA ARG 5 70.567 45.742 19.643 1.00 1.00 ATOM 56 CA LYS 6 68.717 46.832 16.480 1.00 1.00 ATOM 57 CA TYR 7 65.858 49.339 16.539 1.00 1.00 ATOM 58 CA ILE 8 62.191 48.384 16.384 1.00 1.00 ATOM 59 CA ASP 9 61.797 49.716 12.836 1.00 1.00 ATOM 60 CA ASN 10 60.509 48.607 9.436 1.00 1.00 ATOM 61 CA ALA 11 63.688 49.696 7.676 1.00 1.00 ATOM 64 CA ILE 22 63.539 42.118 9.843 1.00 1.00 ATOM 65 CA GLU 23 64.226 38.389 9.906 1.00 1.00 ATOM 66 CA GLU 24 67.507 38.575 7.999 1.00 1.00 ATOM 67 CA PHE 25 68.781 41.299 10.347 1.00 1.00 ATOM 68 CA VAL 26 67.638 39.319 13.401 1.00 1.00 ATOM 69 CA LEU 27 69.560 36.216 12.300 1.00 1.00 ATOM 70 CA LYS 28 72.712 38.145 11.349 1.00 1.00 ATOM 71 CA SER 29 72.764 40.119 14.600 1.00 1.00 ATOM 72 CA GLU 30 72.017 37.139 16.843 1.00 1.00 ATOM 73 CA GLU 31 74.952 35.350 15.172 1.00 1.00 ATOM 74 CA LEU 32 77.335 38.069 16.367 1.00 1.00 ATOM 75 CA GLY 33 75.937 38.115 19.886 1.00 1.00 ATOM 76 CA ILE 34 73.316 40.870 19.746 1.00 1.00 ATOM 77 CA ALA 36 69.518 40.792 19.391 1.00 1.00 ATOM 78 CA VAL 37 66.912 42.382 17.121 1.00 1.00 ATOM 79 CA CYS 38 63.406 43.522 17.994 1.00 1.00 ATOM 80 CA VAL 39 61.233 42.647 14.968 1.00 1.00 ATOM 81 CA ASN 40 59.032 45.683 14.213 1.00 1.00 ATOM 82 CA PRO 41 55.447 45.604 15.428 1.00 1.00 ATOM 83 CA TYR 42 54.280 48.130 12.837 1.00 1.00 ATOM 84 CA HIS 43 52.805 45.305 10.762 1.00 1.00 ATOM 85 CA LEU 46 50.023 42.765 11.259 1.00 1.00 ATOM 86 CA ALA 47 50.139 40.437 14.260 1.00 1.00 ATOM 87 CA SER 48 50.248 37.523 11.819 1.00 1.00 ATOM 88 CA SER 49 53.241 38.898 9.880 1.00 1.00 ATOM 89 CA ILE 50 55.264 39.763 12.964 1.00 1.00 ATOM 90 CA ALA 51 54.627 36.344 14.528 1.00 1.00 ATOM 91 CA LYS 52 55.627 34.706 11.247 1.00 1.00 ATOM 92 CA LYS 53 58.899 36.636 11.269 1.00 1.00 ATOM 93 CA VAL 54 59.558 35.658 14.889 1.00 1.00 ATOM 94 CA LYS 55 58.868 32.033 14.024 1.00 1.00 ATOM 95 CA VAL 56 61.157 32.249 11.001 1.00 1.00 ATOM 96 CA CYS 57 64.137 33.327 13.141 1.00 1.00 ATOM 97 CA CYS 58 63.465 30.780 15.901 1.00 1.00 ATOM 98 CA VAL 59 63.251 27.897 13.428 1.00 1.00 ATOM 99 CA ILE 60 65.958 29.062 11.032 1.00 1.00 ATOM 101 CA GLY 61 67.125 23.406 9.769 1.00 1.00 ATOM 242 CA LYS 72 46.544 45.399 20.596 1.00 1.00 ATOM 243 CA VAL 73 48.746 43.707 23.200 1.00 1.00 ATOM 244 CA LYS 74 45.901 41.400 24.242 1.00 1.00 ATOM 245 CA GLU 75 45.828 39.794 20.797 1.00 1.00 ATOM 246 CA ALA 76 49.468 40.444 19.872 1.00 1.00 ATOM 247 CA VAL 77 51.388 39.267 22.958 1.00 1.00 ATOM 248 CA GLU 78 49.959 35.715 22.935 1.00 1.00 ATOM 249 CA ALA 79 50.791 35.349 19.221 1.00 1.00 ATOM 250 CA VAL 80 54.382 36.535 19.757 1.00 1.00 ATOM 251 CA ARG 81 54.842 34.290 22.794 1.00 1.00 ATOM 252 CA ASP 82 53.452 31.283 20.884 1.00 1.00 ATOM 254 CA GLY 83 58.748 31.892 20.180 1.00 1.00 ATOM 255 CA ALA 84 59.642 35.523 20.948 1.00 1.00 ATOM 256 CA GLN 85 62.365 35.619 23.611 1.00 1.00 ATOM 257 CA GLU 86 61.884 39.257 24.689 1.00 1.00 ATOM 258 CA LEU 87 59.271 41.914 24.037 1.00 1.00 ATOM 259 CA ASP 88 59.619 45.691 24.091 1.00 1.00 ATOM 260 CA ILE 89 56.907 48.326 24.227 1.00 1.00 ATOM 261 CA VAL 90 57.611 50.647 21.290 1.00 1.00 ATOM 262 CA TRP 91 56.897 54.300 22.204 1.00 1.00 ATOM 267 CA VAL 105 52.300 56.941 30.791 1.00 1.00 ATOM 268 CA GLU 106 49.574 54.826 32.335 1.00 1.00 ATOM 269 CA GLU 107 49.334 52.898 29.078 1.00 1.00 ATOM 270 CA LEU 108 52.731 51.270 29.658 1.00 1.00 ATOM 271 CA LYS 109 51.823 50.336 33.235 1.00 1.00 ATOM 272 CA GLU 110 48.571 48.771 32.043 1.00 1.00 ATOM 273 CA ILE 111 50.249 46.751 29.258 1.00 1.00 ATOM 274 CA PHE 112 52.991 45.411 31.553 1.00 1.00 ATOM 275 CA ARG 113 50.390 44.683 34.207 1.00 1.00 ATOM 276 CA GLU 114 48.271 42.592 31.842 1.00 1.00 ATOM 277 CA THR 115 51.360 40.627 30.856 1.00 1.00 ATOM 278 CA PRO 116 52.392 39.976 34.455 1.00 1.00 ATOM 279 CA SER 117 48.855 38.898 35.334 1.00 1.00 ATOM 280 CA ALA 118 48.641 36.564 32.375 1.00 1.00 ATOM 281 CA VAL 119 52.251 35.250 32.365 1.00 1.00 ATOM 285 CA HIS 120 57.510 36.804 29.692 1.00 1.00 ATOM 286 CA LYS 121 60.182 39.518 29.505 1.00 1.00 ATOM 287 CA VAL 122 58.914 42.996 28.576 1.00 1.00 ATOM 288 CA ILE 123 61.148 45.988 27.989 1.00 1.00 ATOM 289 CA VAL 124 59.520 49.369 28.198 1.00 1.00 ATOM 290 CA GLU 125 59.505 53.072 27.897 1.00 1.00 ATOM 291 CA THR 126 61.602 55.739 26.431 1.00 1.00 ATOM 292 CA PRO 127 61.995 57.986 29.382 1.00 1.00 ATOM 293 CA TYR 128 64.567 60.738 29.914 1.00 1.00 ATOM 294 CA ILE 134 64.709 61.261 33.689 1.00 1.00 ATOM 295 CA LYS 135 64.771 59.327 36.957 1.00 1.00 ATOM 296 CA LYS 136 61.093 59.960 37.580 1.00 1.00 ATOM 297 CA ALA 137 60.145 58.155 34.389 1.00 1.00 ATOM 298 CA VAL 138 62.587 55.364 35.134 1.00 1.00 ATOM 299 CA GLU 139 61.168 54.912 38.628 1.00 1.00 ATOM 300 CA ILE 140 57.594 54.733 37.308 1.00 1.00 ATOM 301 CA CYS 141 58.384 52.004 34.773 1.00 1.00 ATOM 302 CA ILE 142 60.585 50.159 37.275 1.00 1.00 ATOM 303 CA GLU 143 57.670 49.908 39.714 1.00 1.00 ATOM 304 CA ALA 144 55.331 48.962 36.870 1.00 1.00 ATOM 305 CA GLY 145 57.400 45.808 36.306 1.00 1.00 ATOM 306 CA ALA 146 59.557 46.496 33.230 1.00 1.00 ATOM 307 CA ASP 147 62.466 44.059 32.744 1.00 1.00 ATOM 308 CA PHE 148 64.666 46.703 31.111 1.00 1.00 ATOM 309 CA ILE 149 64.110 50.398 30.375 1.00 1.00 ATOM 310 CA LYS 150 64.835 52.373 27.198 1.00 1.00 ATOM 311 CA THR 151 66.227 55.895 27.470 1.00 1.00 ATOM 312 CA SER 152 65.958 58.576 24.878 1.00 1.00 ATOM 313 CA PRO 157 63.712 61.361 23.688 1.00 1.00 ATOM 330 CA THR 160 70.123 65.680 25.407 1.00 1.00 ATOM 331 CA THR 161 71.053 61.995 25.208 1.00 1.00 ATOM 332 CA LEU 162 74.116 62.121 27.492 1.00 1.00 ATOM 333 CA GLU 163 72.357 63.887 30.351 1.00 1.00 ATOM 334 CA GLU 164 69.334 61.612 30.030 1.00 1.00 ATOM 335 CA VAL 165 71.587 58.523 30.386 1.00 1.00 ATOM 336 CA ARG 166 73.545 59.971 33.300 1.00 1.00 ATOM 337 CA LEU 167 70.354 60.896 35.185 1.00 1.00 ATOM 338 CA ILE 168 68.462 57.658 34.602 1.00 1.00 ATOM 339 CA LYS 169 71.498 55.508 35.421 1.00 1.00 ATOM 340 CA SER 170 71.857 57.435 38.696 1.00 1.00 ATOM 341 CA SER 171 68.243 56.628 39.548 1.00 1.00 ATOM 342 CA ALA 172 68.755 53.035 38.450 1.00 1.00 ATOM 343 CA LYS 173 71.654 52.770 40.879 1.00 1.00 ATOM 344 CA GLY 174 69.590 54.285 43.679 1.00 1.00 ATOM 345 CA ARG 175 66.781 51.837 42.911 1.00 1.00 ATOM 353 CA ILE 176 67.246 46.918 35.916 1.00 1.00 ATOM 354 CA LYS 177 69.341 47.146 32.717 1.00 1.00 ATOM 355 CA VAL 178 68.933 50.418 30.788 1.00 1.00 ATOM 356 CA LYS 179 69.225 50.927 27.035 1.00 1.00 ATOM 357 CA ALA 180 70.431 54.091 25.353 1.00 1.00 ATOM 358 CA SER 181 68.244 54.422 22.282 1.00 1.00 ATOM 359 CA GLY 182 69.656 56.660 19.554 1.00 1.00 ATOM 360 CA GLY 183 71.851 59.739 19.633 1.00 1.00 ATOM 361 CA ILE 184 74.949 57.718 18.741 1.00 1.00 ATOM 362 CA ARG 185 76.712 59.286 15.755 1.00 1.00 ATOM 363 CA ASP 186 80.138 57.571 16.075 1.00 1.00 ATOM 364 CA LEU 187 81.772 54.447 17.564 1.00 1.00 ATOM 365 CA GLU 188 83.288 56.582 20.308 1.00 1.00 ATOM 366 CA THR 189 79.762 57.549 21.380 1.00 1.00 ATOM 367 CA ALA 190 79.098 53.835 21.890 1.00 1.00 ATOM 368 CA ILE 191 81.939 53.668 24.434 1.00 1.00 ATOM 369 CA SER 192 80.692 56.858 26.090 1.00 1.00 ATOM 370 CA MET 193 77.116 55.561 26.461 1.00 1.00 ATOM 371 CA ILE 194 78.326 52.347 28.133 1.00 1.00 ATOM 372 CA GLU 195 80.801 54.216 30.360 1.00 1.00 ATOM 373 CA ALA 196 78.002 56.505 31.537 1.00 1.00 ATOM 374 CA GLY 197 76.073 53.455 32.697 1.00 1.00 ATOM 375 CA ALA 198 73.948 52.175 29.816 1.00 1.00 ATOM 376 CA ASP 199 74.062 48.361 29.643 1.00 1.00 ATOM 377 CA ARG 200 73.387 48.127 25.906 1.00 1.00 ATOM 378 CA ILE 201 72.589 50.428 22.979 1.00 1.00 ATOM 379 CA GLY 202 69.752 50.463 20.449 1.00 1.00 ATOM 380 CA THR 203 70.617 51.668 16.942 1.00 1.00 ATOM 381 CA SER 204 68.554 52.299 13.809 1.00 1.00 ATOM 382 CA SER 205 70.461 54.084 11.029 1.00 1.00 ATOM 383 CA GLY 206 73.628 52.126 11.888 1.00 1.00 ATOM 384 CA ILE 207 72.053 48.790 10.990 1.00 1.00 ATOM 385 CA SER 208 69.958 50.086 8.029 1.00 1.00 ATOM 446 CA ILE 209 81.079 46.448 10.250 1.00 1.00 ATOM 447 CA ALA 210 80.076 45.428 13.762 1.00 1.00 ATOM 448 CA GLU 211 83.513 43.831 14.180 1.00 1.00 ATOM 449 CA GLU 212 85.235 47.086 13.155 1.00 1.00 ATOM 450 CA PHE 213 83.109 49.088 15.596 1.00 1.00 ATOM 451 CA LEU 214 83.536 46.744 18.556 1.00 1.00 ATOM 452 CA LYS 215 87.293 46.469 18.002 1.00 1.00 ATOM 453 CA ARG 216 87.535 50.240 18.453 1.00 1.00 ATOM 454 CA HIS 217 85.347 50.051 21.564 1.00 1.00 ATOM 455 CA LEU 218 87.594 47.373 23.065 1.00 1.00 ATOM 456 CA ILE 219 90.726 49.447 22.478 1.00 1.00 TER END ################################ # # # END # # # ################################