From mailer@bialko.llnl.gov Thu Aug 15 06:46:19 2002 Date: Thu, 15 Aug 2002 06:46:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 06:18:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_311679_24579 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183SS007_1 Current information on models submitted in prediction T0183SS007 MODEL_INDEX PIN CODE DATE E-mail T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 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: 248 # Number of residues with nonzero confidence: 248 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0183 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-31889.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-2290//target-align-2290.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 21.1304 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-31889.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc62.9363/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Wed Aug 14 01:51:25 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-2290//target-align-2290.a2m METHOD METHOD guide seq name: seed-seqs-31889.a2m(1), 248 bases, 3E0DD3ED checksum. METHOD ###end 0 MODEL 1 M C 0.508 I C 0.558 E H 0.563 Y H 0.611 R H 0.667 I H 0.711 E H 0.722 E H 0.73 A H 0.729 V H 0.732 A H 0.717 K H 0.689 Y H 0.632 R H 0.578 E H 0.554 F H 0.539 Y H 0.518 E H 0.501 F H 0.546 K H 0.55 P H 0.598 V H 0.602 R H 0.594 E H 0.587 S H 0.628 A H 0.582 G H 0.587 I H 0.699 E H 0.695 D H 0.693 V H 0.696 K H 0.684 S H 0.663 A H 0.633 I H 0.537 E H 0.462 H H 0.516 T H 0.443 N C 0.399 L C 0.489 K C 0.637 P C 0.637 F C 0.633 A C 0.644 T C 0.659 P H 0.706 D H 0.753 D H 0.757 I H 0.778 K H 0.785 K H 0.789 L H 0.778 C H 0.768 L H 0.766 E H 0.767 A H 0.729 R H 0.687 E H 0.609 N C 0.531 R C 0.629 F C 0.521 H E 0.464 G E 0.626 V E 0.674 C E 0.667 V E 0.545 N C 0.605 P H 0.458 C H 0.568 Y H 0.594 V H 0.633 K H 0.656 L H 0.675 A H 0.689 R H 0.711 E H 0.707 E H 0.687 L H 0.66 E H 0.585 G C 0.469 T C 0.634 D C 0.661 V C 0.507 K E 0.594 V E 0.698 V E 0.686 T E 0.687 V E 0.673 V E 0.56 G C 0.476 F C 0.576 P C 0.689 L C 0.687 G C 0.709 A C 0.678 N C 0.626 E C 0.485 T H 0.436 R H 0.561 T H 0.638 K H 0.666 A H 0.708 H H 0.722 E H 0.723 A H 0.732 I H 0.743 F H 0.74 A H 0.733 V H 0.727 E H 0.706 S H 0.606 G C 0.66 A C 0.661 D C 0.563 E E 0.407 I E 0.513 D E 0.5 M E 0.602 V E 0.608 I E 0.526 N C 0.441 V H 0.569 G H 0.587 M H 0.601 L H 0.586 K H 0.57 A H 0.539 K H 0.476 E C 0.526 W H 0.667 E H 0.699 Y H 0.701 V H 0.697 Y H 0.733 E H 0.753 D H 0.755 I H 0.78 R H 0.779 S H 0.773 V H 0.76 V H 0.759 E H 0.752 S H 0.72 V H 0.627 K C 0.473 G C 0.529 K C 0.432 V E 0.447 V E 0.546 K E 0.581 V E 0.625 I E 0.625 I E 0.566 E E 0.425 T H 0.405 C C 0.451 Y C 0.487 L C 0.509 D C 0.613 T H 0.653 E H 0.712 E H 0.723 K H 0.728 I H 0.731 A H 0.735 A H 0.727 C H 0.715 V H 0.719 I H 0.715 S H 0.715 K H 0.714 L H 0.707 A H 0.634 G C 0.623 A C 0.647 H C 0.476 F E 0.508 V E 0.536 K E 0.47 T C 0.398 S C 0.55 T C 0.634 G C 0.668 F C 0.592 G C 0.591 T C 0.573 G C 0.606 G C 0.66 A C 0.563 T C 0.555 A H 0.617 E H 0.644 D H 0.66 V H 0.717 H H 0.723 L H 0.721 M H 0.719 K H 0.725 W H 0.714 I H 0.67 V H 0.6 G C 0.576 D C 0.569 E C 0.511 M C 0.478 G C 0.481 V E 0.493 K E 0.49 A E 0.414 S C 0.548 G C 0.682 G C 0.682 I C 0.574 R C 0.6 T C 0.613 F H 0.683 E H 0.724 D H 0.732 A H 0.762 V H 0.772 K H 0.719 M H 0.675 I H 0.586 M H 0.451 Y C 0.458 G C 0.546 A C 0.474 D C 0.366 R E 0.448 I E 0.446 G C 0.52 T C 0.427 S H 0.475 S H 0.552 G H 0.58 V H 0.629 K H 0.643 I H 0.643 V H 0.664 Q H 0.664 G H 0.653 G H 0.694 E H 0.7 E H 0.644 R H 0.554 Y C 0.572 G C 0.784 G C 0.917 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:12:07 2002 Date: Tue, 20 Aug 2002 13:12:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Tue Aug 20 12:43:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_579700_29085 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS007_1 Current information on models submitted in prediction T0183TS007 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_1 PIN_579700_29085 6269-7633-6117 08/20/02 12:43:49 casp5@bialko.llnl.gov T0183TS007_3 PIN_559659_29079 6269-7633-6117 08/20/02 12:41:52 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_1 PIN_579700_29085 6269-7633-6117 08/20/02 12:43:49 casp5@bialko.llnl.gov T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 casp5@bialko.llnl.gov T0183TS007_3 PIN_559659_29079 6269-7633-6117 08/20/02 12:41:52 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 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 P 21 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 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 L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue I 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue G 242 # IMPORTANT NOTE! Not complete main chain atoms for residue E 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 226 # Total number of atoms in model: 226 # Number of atoms with 1.0 occupancy: 226 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 226 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1JCL_A ATOM 1 CA PRO 21 50.586 -2.883 0.671 1.00 1.00 ATOM 2 CA VAL 22 47.185 -4.482 0.073 1.00 1.00 ATOM 3 CA ARG 23 43.661 -3.171 -0.081 1.00 1.00 ATOM 4 CA GLU 24 42.815 -4.847 3.235 1.00 1.00 ATOM 5 CA SER 25 45.885 -3.355 5.080 1.00 1.00 ATOM 6 CA ALA 26 45.050 0.102 3.641 1.00 1.00 ATOM 7 CA GLY 27 41.429 -0.151 4.747 1.00 1.00 ATOM 8 CA ILE 28 42.349 -1.562 8.165 1.00 1.00 ATOM 9 CA GLU 29 44.697 1.286 9.077 1.00 1.00 ATOM 10 CA ASP 30 42.059 3.802 7.996 1.00 1.00 ATOM 11 CA VAL 31 39.398 2.025 10.048 1.00 1.00 ATOM 12 CA LYS 32 41.650 1.977 13.110 1.00 1.00 ATOM 13 CA SER 33 42.199 5.722 12.914 1.00 1.00 ATOM 14 CA ALA 34 38.453 6.264 12.495 1.00 1.00 ATOM 15 CA ILE 35 37.409 4.057 15.408 1.00 1.00 ATOM 16 CA GLU 36 35.268 5.080 18.357 1.00 1.00 ATOM 17 CA HIS 37 36.677 2.280 20.569 1.00 1.00 ATOM 18 CA THR 38 33.753 1.366 22.795 1.00 1.00 ATOM 19 CA ASN 39 32.769 -0.284 26.042 1.00 1.00 ATOM 20 CA LEU 40 29.091 0.030 27.035 1.00 1.00 ATOM 21 CA LYS 41 28.322 -2.778 29.473 1.00 1.00 ATOM 22 CA PRO 42 26.408 -3.056 32.693 1.00 1.00 ATOM 23 CA PHE 43 29.479 -4.501 34.380 1.00 1.00 ATOM 24 CA ALA 44 31.824 -1.774 33.278 1.00 1.00 ATOM 25 CA THR 45 34.266 -0.472 35.842 1.00 1.00 ATOM 26 CA PRO 46 37.021 2.131 36.059 1.00 1.00 ATOM 27 CA ASP 47 39.528 -0.693 35.518 1.00 1.00 ATOM 28 CA ASP 48 37.846 -1.737 32.266 1.00 1.00 ATOM 29 CA ILE 49 37.721 1.863 31.027 1.00 1.00 ATOM 30 CA LYS 50 41.401 2.427 31.880 1.00 1.00 ATOM 31 CA LYS 51 42.300 -0.720 29.924 1.00 1.00 ATOM 32 CA LEU 52 40.201 0.541 26.973 1.00 1.00 ATOM 33 CA CYS 53 42.109 3.825 26.985 1.00 1.00 ATOM 34 CA LEU 54 45.391 1.950 26.862 1.00 1.00 ATOM 35 CA GLU 55 44.057 -0.178 23.970 1.00 1.00 ATOM 36 CA ALA 56 43.231 2.974 21.984 1.00 1.00 ATOM 37 CA ARG 57 46.953 3.839 21.874 1.00 1.00 ATOM 38 CA GLU 58 48.196 1.283 19.327 1.00 1.00 ATOM 41 CA ASN 59 48.463 5.068 15.792 1.00 1.00 ATOM 42 CA ARG 60 45.549 6.098 17.947 1.00 1.00 ATOM 43 CA PHE 61 41.866 5.493 17.479 1.00 1.00 ATOM 44 CA HIS 62 39.795 8.601 16.820 1.00 1.00 ATOM 45 CA GLY 63 37.918 8.314 20.087 1.00 1.00 ATOM 46 CA VAL 64 36.695 6.132 22.853 1.00 1.00 ATOM 47 CA CYS 65 32.995 5.712 23.685 1.00 1.00 ATOM 48 CA VAL 66 32.012 4.979 27.293 1.00 1.00 ATOM 49 CA ASN 67 29.112 5.649 29.660 1.00 1.00 ATOM 50 CA PRO 68 29.116 9.239 30.982 1.00 1.00 ATOM 51 CA CYS 69 30.191 8.398 34.525 1.00 1.00 ATOM 52 CA TYR 70 33.510 7.089 33.230 1.00 1.00 ATOM 53 CA VAL 71 34.457 10.298 31.335 1.00 1.00 ATOM 54 CA LYS 72 36.593 11.900 34.112 1.00 1.00 ATOM 55 CA LEU 73 38.735 8.814 34.733 1.00 1.00 ATOM 56 CA ALA 74 39.073 8.251 30.983 1.00 1.00 ATOM 57 CA ARG 75 40.236 11.841 30.454 1.00 1.00 ATOM 58 CA GLU 76 42.848 11.434 33.182 1.00 1.00 ATOM 59 CA GLU 77 44.066 8.160 31.682 1.00 1.00 ATOM 60 CA LEU 78 44.301 9.472 28.136 1.00 1.00 ATOM 61 CA GLU 79 46.263 12.484 29.409 1.00 1.00 ATOM 62 CA GLY 80 48.693 10.426 31.458 1.00 1.00 ATOM 63 CA THR 81 49.555 8.169 28.513 1.00 1.00 ATOM 64 CA ASP 82 50.215 11.165 26.283 1.00 1.00 ATOM 68 CA VAL 83 41.812 10.882 21.521 1.00 1.00 ATOM 69 CA LYS 84 38.282 12.205 21.821 1.00 1.00 ATOM 70 CA VAL 85 35.808 11.058 24.444 1.00 1.00 ATOM 71 CA VAL 86 32.368 10.138 23.145 1.00 1.00 ATOM 72 CA THR 87 29.465 8.966 25.252 1.00 1.00 ATOM 73 CA VAL 88 25.821 7.957 24.848 1.00 1.00 ATOM 74 CA VAL 89 22.515 9.460 25.975 1.00 1.00 ATOM 75 CA GLY 90 18.875 8.427 25.691 1.00 1.00 ATOM 76 CA PHE 91 20.494 5.025 25.464 1.00 1.00 ATOM 77 CA PRO 92 19.821 2.375 24.388 1.00 1.00 ATOM 78 CA LEU 93 16.053 2.664 24.368 1.00 1.00 ATOM 79 CA GLY 94 15.466 5.853 22.372 1.00 1.00 ATOM 80 CA ALA 95 12.543 6.945 24.502 1.00 1.00 ATOM 81 CA ASN 96 10.563 10.044 23.506 1.00 1.00 ATOM 82 CA GLU 97 11.021 12.065 26.726 1.00 1.00 ATOM 83 CA THR 98 12.911 15.135 25.620 1.00 1.00 ATOM 84 CA ARG 99 13.479 16.427 29.130 1.00 1.00 ATOM 85 CA THR 100 15.266 13.194 30.111 1.00 1.00 ATOM 86 CA LYS 101 17.382 13.030 26.972 1.00 1.00 ATOM 87 CA ALA 102 18.360 16.651 27.387 1.00 1.00 ATOM 88 CA HIS 103 19.212 16.225 31.081 1.00 1.00 ATOM 89 CA GLU 104 21.454 13.276 30.227 1.00 1.00 ATOM 90 CA ALA 105 23.100 15.267 27.440 1.00 1.00 ATOM 91 CA ILE 106 23.721 18.223 29.762 1.00 1.00 ATOM 92 CA PHE 107 25.262 15.818 32.303 1.00 1.00 ATOM 93 CA ALA 108 27.485 14.266 29.606 1.00 1.00 ATOM 94 CA VAL 109 28.684 17.754 28.706 1.00 1.00 ATOM 95 CA GLU 110 29.352 18.567 32.397 1.00 1.00 ATOM 96 CA SER 111 31.337 15.360 32.907 1.00 1.00 ATOM 97 CA GLY 112 33.561 16.532 30.034 1.00 1.00 ATOM 98 CA ALA 113 32.390 14.701 26.910 1.00 1.00 ATOM 99 CA ASP 114 33.783 15.780 23.560 1.00 1.00 ATOM 100 CA GLU 115 30.953 14.048 21.666 1.00 1.00 ATOM 101 CA ILE 116 27.490 12.739 22.538 1.00 1.00 ATOM 102 CA ASP 117 25.812 9.924 20.635 1.00 1.00 ATOM 103 CA MET 118 22.056 10.281 21.391 1.00 1.00 ATOM 104 CA VAL 119 19.416 7.703 20.467 1.00 1.00 ATOM 105 CA ILE 120 16.660 9.028 18.223 1.00 1.00 ATOM 106 CA ASN 121 13.049 8.309 19.333 1.00 1.00 ATOM 107 CA VAL 122 12.625 5.707 16.648 1.00 1.00 ATOM 108 CA GLY 123 9.559 3.997 18.123 1.00 1.00 ATOM 109 CA MET 124 7.792 7.347 18.126 1.00 1.00 ATOM 110 CA LEU 125 8.603 7.771 14.424 1.00 1.00 ATOM 111 CA LYS 126 7.327 4.241 13.698 1.00 1.00 ATOM 112 CA ALA 127 4.075 5.282 15.403 1.00 1.00 ATOM 113 CA LYS 128 3.830 8.319 13.103 1.00 1.00 ATOM 114 CA GLU 129 5.352 11.067 15.217 1.00 1.00 ATOM 115 CA TRP 130 8.081 12.863 13.262 1.00 1.00 ATOM 116 CA GLU 131 8.038 16.028 15.400 1.00 1.00 ATOM 117 CA TYR 132 9.314 14.515 18.633 1.00 1.00 ATOM 118 CA VAL 133 12.487 13.251 16.949 1.00 1.00 ATOM 119 CA TYR 134 13.123 16.699 15.468 1.00 1.00 ATOM 120 CA GLU 135 12.538 18.386 18.823 1.00 1.00 ATOM 121 CA ASP 136 14.635 15.860 20.769 1.00 1.00 ATOM 122 CA ILE 137 17.648 16.098 18.450 1.00 1.00 ATOM 123 CA ARG 138 17.383 19.906 18.201 1.00 1.00 ATOM 124 CA SER 139 17.330 20.315 21.988 1.00 1.00 ATOM 125 CA VAL 140 20.376 18.107 22.393 1.00 1.00 ATOM 126 CA VAL 141 22.179 19.818 19.493 1.00 1.00 ATOM 127 CA GLU 142 21.617 23.232 21.073 1.00 1.00 ATOM 128 CA SER 143 23.226 22.126 24.313 1.00 1.00 ATOM 129 CA VAL 144 26.121 20.405 22.547 1.00 1.00 ATOM 130 CA LYS 145 26.817 23.256 20.144 1.00 1.00 ATOM 133 CA GLY 146 31.637 22.807 21.429 1.00 1.00 ATOM 134 CA LYS 147 30.518 19.167 21.658 1.00 1.00 ATOM 135 CA VAL 148 29.681 17.115 18.525 1.00 1.00 ATOM 136 CA VAL 149 26.314 15.371 18.390 1.00 1.00 ATOM 137 CA LYS 150 25.816 12.006 16.726 1.00 1.00 ATOM 138 CA VAL 151 22.298 10.619 16.326 1.00 1.00 ATOM 139 CA ILE 152 21.641 6.869 16.522 1.00 1.00 ATOM 140 CA ILE 153 18.568 6.007 14.469 1.00 1.00 ATOM 141 CA GLU 154 18.438 2.219 15.150 1.00 1.00 ATOM 142 CA THR 155 18.148 0.953 11.598 1.00 1.00 ATOM 143 CA CYS 156 17.589 -2.609 12.771 1.00 1.00 ATOM 144 CA TYR 157 14.404 -1.604 14.503 1.00 1.00 ATOM 145 CA LEU 158 13.186 0.882 11.912 1.00 1.00 ATOM 146 CA ASP 159 13.779 -1.782 9.233 1.00 1.00 ATOM 147 CA THR 160 11.997 -0.131 6.302 1.00 1.00 ATOM 148 CA GLU 161 14.079 1.959 3.920 1.00 1.00 ATOM 149 CA GLU 162 11.592 4.817 4.039 1.00 1.00 ATOM 150 CA LYS 163 11.775 4.994 7.823 1.00 1.00 ATOM 152 CA ILE 164 15.630 7.682 5.323 1.00 1.00 ATOM 153 CA ALA 165 13.101 9.742 7.295 1.00 1.00 ATOM 154 CA ALA 166 14.876 9.311 10.625 1.00 1.00 ATOM 155 CA CYS 167 18.139 10.309 8.947 1.00 1.00 ATOM 156 CA VAL 168 16.508 13.329 7.328 1.00 1.00 ATOM 157 CA ILE 169 14.829 14.546 10.510 1.00 1.00 ATOM 158 CA SER 170 18.083 14.132 12.442 1.00 1.00 ATOM 159 CA LYS 171 20.030 16.127 9.857 1.00 1.00 ATOM 160 CA LEU 172 17.404 18.874 9.746 1.00 1.00 ATOM 161 CA ALA 173 17.552 19.104 13.553 1.00 1.00 ATOM 162 CA GLY 174 21.330 19.547 13.480 1.00 1.00 ATOM 163 CA ALA 175 22.957 16.113 13.757 1.00 1.00 ATOM 164 CA HIS 176 26.721 16.275 13.151 1.00 1.00 ATOM 165 CA PHE 177 26.759 12.495 12.470 1.00 1.00 ATOM 166 CA VAL 178 24.130 9.870 11.804 1.00 1.00 ATOM 167 CA LYS 179 24.867 6.462 13.354 1.00 1.00 ATOM 168 CA THR 180 23.174 3.190 12.426 1.00 1.00 ATOM 169 CA SER 181 22.647 1.424 15.678 1.00 1.00 ATOM 170 CA THR 182 23.087 1.059 19.420 1.00 1.00 ATOM 171 CA GLY 183 24.678 -2.376 19.227 1.00 1.00 ATOM 172 CA PHE 184 22.047 -3.446 21.788 1.00 1.00 ATOM 173 CA GLY 185 19.327 -4.821 19.477 1.00 1.00 ATOM 174 CA THR 186 19.276 -7.920 17.285 1.00 1.00 ATOM 175 CA GLY 187 20.173 -6.207 13.963 1.00 1.00 ATOM 176 CA GLY 188 22.734 -3.425 13.836 1.00 1.00 ATOM 177 CA ALA 189 24.915 -2.116 11.006 1.00 1.00 ATOM 178 CA THR 190 24.450 -3.625 7.567 1.00 1.00 ATOM 179 CA ALA 191 25.982 -2.497 4.252 1.00 1.00 ATOM 180 CA GLU 192 22.496 -1.760 2.923 1.00 1.00 ATOM 181 CA ASP 193 21.597 0.403 5.913 1.00 1.00 ATOM 182 CA VAL 194 24.904 2.232 5.516 1.00 1.00 ATOM 183 CA HIS 195 24.221 2.885 1.844 1.00 1.00 ATOM 184 CA LEU 196 20.735 4.194 2.579 1.00 1.00 ATOM 185 CA MET 197 21.956 6.567 5.271 1.00 1.00 ATOM 186 CA LYS 198 24.860 7.822 3.178 1.00 1.00 ATOM 187 CA TRP 199 22.438 8.351 0.271 1.00 1.00 ATOM 188 CA ILE 200 20.479 10.696 2.565 1.00 1.00 ATOM 189 CA VAL 201 23.626 12.699 3.235 1.00 1.00 ATOM 195 CA GLY 202 28.516 15.930 2.873 1.00 1.00 ATOM 196 CA ASP 203 30.454 18.791 4.458 1.00 1.00 ATOM 197 CA GLU 204 28.551 18.932 7.737 1.00 1.00 ATOM 198 CA MET 205 27.258 15.416 8.449 1.00 1.00 ATOM 199 CA GLY 206 29.346 12.310 9.043 1.00 1.00 ATOM 200 CA VAL 207 28.375 8.644 9.064 1.00 1.00 ATOM 201 CA LYS 208 29.027 6.015 11.759 1.00 1.00 ATOM 202 CA ALA 209 28.241 2.337 11.227 1.00 1.00 ATOM 203 CA SER 210 27.983 0.615 14.610 1.00 1.00 ATOM 204 CA GLY 211 27.089 -2.673 16.153 1.00 1.00 ATOM 205 CA GLY 212 28.414 -6.023 15.010 1.00 1.00 ATOM 206 CA ILE 213 31.364 -4.634 13.036 1.00 1.00 ATOM 207 CA ARG 214 33.847 -7.250 14.207 1.00 1.00 ATOM 208 CA THR 215 36.412 -8.050 11.498 1.00 1.00 ATOM 209 CA PHE 216 38.786 -6.185 9.269 1.00 1.00 ATOM 210 CA GLU 217 36.778 -7.481 6.274 1.00 1.00 ATOM 211 CA ASP 218 33.552 -6.073 7.820 1.00 1.00 ATOM 212 CA ALA 219 35.166 -2.665 8.140 1.00 1.00 ATOM 213 CA VAL 220 36.424 -2.826 4.592 1.00 1.00 ATOM 214 CA LYS 221 32.880 -3.235 3.270 1.00 1.00 ATOM 215 CA MET 222 31.738 -0.020 4.921 1.00 1.00 ATOM 216 CA ILE 223 34.660 2.101 3.701 1.00 1.00 ATOM 229 CA MET 224 38.194 11.603 7.722 1.00 1.00 ATOM 230 CA TYR 225 37.493 11.655 11.460 1.00 1.00 ATOM 231 CA GLY 226 34.984 14.511 11.154 1.00 1.00 ATOM 232 CA ALA 227 32.979 12.515 8.598 1.00 1.00 ATOM 233 CA ASP 228 33.364 8.820 9.441 1.00 1.00 ATOM 234 CA ARG 229 33.688 6.687 12.540 1.00 1.00 ATOM 235 CA ILE 230 33.446 2.981 13.348 1.00 1.00 ATOM 236 CA GLY 231 31.470 2.236 16.494 1.00 1.00 ATOM 237 CA THR 232 33.069 -0.948 17.740 1.00 1.00 ATOM 238 CA SER 233 33.842 -2.758 20.997 1.00 1.00 ATOM 239 CA SER 234 35.433 -5.783 19.369 1.00 1.00 ATOM 240 CA GLY 235 37.050 -4.805 15.995 1.00 1.00 ATOM 241 CA VAL 236 40.440 -3.381 16.919 1.00 1.00 ATOM 242 CA LYS 237 42.237 -6.687 17.487 1.00 1.00 ATOM 243 CA ILE 238 41.128 -7.840 14.031 1.00 1.00 ATOM 244 CA VAL 239 42.439 -4.643 12.391 1.00 1.00 ATOM 245 CA GLN 240 45.786 -4.943 14.213 1.00 1.00 ATOM 246 CA GLY 241 46.073 -8.577 13.082 1.00 1.00 ATOM 247 CA GLY 242 45.422 -7.546 9.487 1.00 1.00 ATOM 248 CA GLU 243 48.207 -4.987 9.852 1.00 1.00 ATOM 249 CA GLU 244 50.679 -7.540 11.304 1.00 1.00 ATOM 250 CA ARG 245 50.652 -5.911 14.744 1.00 1.00 ATOM 251 CA TYR 246 48.209 -8.183 16.388 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:06:28 2002 Date: Tue, 20 Aug 2002 13:06:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Tue Aug 20 12:38:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_528249_29069 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS007_2 Current information on models submitted in prediction T0183TS007 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 casp5@bialko.llnl.gov T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 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 P 21 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 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 L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue I 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 221 # Total number of atoms in model: 221 # Number of atoms with 1.0 occupancy: 221 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 221 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1JCJ_A ATOM 1 CA PRO 21 50.624 -2.618 0.704 1.00 1.00 ATOM 2 CA VAL 22 47.237 -4.290 0.124 1.00 1.00 ATOM 3 CA ARG 23 43.707 -2.907 -0.068 1.00 1.00 ATOM 4 CA GLU 24 42.857 -4.621 3.219 1.00 1.00 ATOM 5 CA SER 25 45.913 -3.128 5.039 1.00 1.00 ATOM 6 CA ALA 26 45.115 0.343 3.665 1.00 1.00 ATOM 7 CA GLY 27 41.474 0.101 4.735 1.00 1.00 ATOM 8 CA ILE 28 42.417 -1.308 8.101 1.00 1.00 ATOM 9 CA GLU 29 44.780 1.545 9.001 1.00 1.00 ATOM 10 CA ASP 30 42.101 4.053 7.937 1.00 1.00 ATOM 11 CA VAL 31 39.504 2.299 9.993 1.00 1.00 ATOM 12 CA LYS 32 41.767 2.261 13.054 1.00 1.00 ATOM 13 CA SER 33 42.344 6.000 12.838 1.00 1.00 ATOM 14 CA ALA 34 38.613 6.554 12.441 1.00 1.00 ATOM 15 CA ILE 35 37.551 4.355 15.330 1.00 1.00 ATOM 16 CA GLU 36 35.331 5.364 18.258 1.00 1.00 ATOM 17 CA HIS 37 36.730 2.601 20.489 1.00 1.00 ATOM 18 CA THR 38 33.813 1.645 22.726 1.00 1.00 ATOM 19 CA ASN 39 32.901 0.045 26.026 1.00 1.00 ATOM 20 CA LEU 40 29.197 0.326 26.994 1.00 1.00 ATOM 21 CA LYS 41 28.516 -2.533 29.421 1.00 1.00 ATOM 22 CA PRO 42 26.476 -2.773 32.627 1.00 1.00 ATOM 23 CA PHE 43 29.532 -4.082 34.434 1.00 1.00 ATOM 24 CA ALA 44 31.934 -1.432 33.292 1.00 1.00 ATOM 25 CA THR 45 34.326 -0.015 35.848 1.00 1.00 ATOM 26 CA PRO 46 37.087 2.557 36.020 1.00 1.00 ATOM 27 CA ASP 47 39.675 -0.201 35.541 1.00 1.00 ATOM 28 CA ASP 48 38.040 -1.369 32.286 1.00 1.00 ATOM 29 CA ILE 49 37.823 2.208 31.002 1.00 1.00 ATOM 30 CA LYS 50 41.506 2.835 31.857 1.00 1.00 ATOM 31 CA LYS 51 42.402 -0.343 29.936 1.00 1.00 ATOM 32 CA LEU 52 40.293 0.910 26.975 1.00 1.00 ATOM 33 CA CYS 53 42.209 4.172 26.977 1.00 1.00 ATOM 34 CA LEU 54 45.491 2.293 26.823 1.00 1.00 ATOM 35 CA GLU 55 44.113 0.133 23.946 1.00 1.00 ATOM 36 CA ALA 56 43.308 3.317 21.977 1.00 1.00 ATOM 37 CA ARG 57 47.003 4.183 21.836 1.00 1.00 ATOM 38 CA GLU 58 48.206 1.560 19.330 1.00 1.00 ATOM 41 CA ASN 59 48.457 5.348 15.691 1.00 1.00 ATOM 42 CA ARG 60 45.647 6.416 17.958 1.00 1.00 ATOM 43 CA PHE 61 41.941 5.823 17.468 1.00 1.00 ATOM 44 CA HIS 62 39.890 8.934 16.804 1.00 1.00 ATOM 45 CA GLY 63 37.915 8.625 20.001 1.00 1.00 ATOM 46 CA VAL 64 36.682 6.455 22.784 1.00 1.00 ATOM 47 CA CYS 65 32.989 5.974 23.577 1.00 1.00 ATOM 48 CA VAL 66 32.060 5.304 27.210 1.00 1.00 ATOM 49 CA ASN 67 29.204 5.944 29.621 1.00 1.00 ATOM 50 CA PRO 68 29.207 9.530 30.925 1.00 1.00 ATOM 51 CA CYS 69 30.269 8.750 34.487 1.00 1.00 ATOM 52 CA TYR 70 33.606 7.439 33.207 1.00 1.00 ATOM 53 CA VAL 71 34.537 10.627 31.303 1.00 1.00 ATOM 54 CA LYS 72 36.655 12.277 34.023 1.00 1.00 ATOM 55 CA LEU 73 38.800 9.195 34.666 1.00 1.00 ATOM 56 CA ALA 74 39.160 8.580 30.912 1.00 1.00 ATOM 57 CA ARG 75 40.284 12.198 30.380 1.00 1.00 ATOM 58 CA GLU 76 42.905 11.840 33.089 1.00 1.00 ATOM 59 CA GLU 77 44.134 8.538 31.660 1.00 1.00 ATOM 60 CA LEU 78 44.366 9.833 28.102 1.00 1.00 ATOM 61 CA GLU 79 46.293 12.872 29.324 1.00 1.00 ATOM 62 CA GLY 80 48.768 10.844 31.347 1.00 1.00 ATOM 63 CA THR 81 49.626 8.538 28.482 1.00 1.00 ATOM 64 CA ASP 82 50.259 11.520 26.212 1.00 1.00 ATOM 68 CA VAL 83 41.816 11.189 21.480 1.00 1.00 ATOM 69 CA LYS 84 38.277 12.479 21.738 1.00 1.00 ATOM 70 CA VAL 85 35.822 11.336 24.381 1.00 1.00 ATOM 71 CA VAL 86 32.363 10.422 23.129 1.00 1.00 ATOM 72 CA THR 87 29.476 9.245 25.206 1.00 1.00 ATOM 73 CA VAL 88 25.838 8.236 24.825 1.00 1.00 ATOM 74 CA VAL 89 22.555 9.754 25.943 1.00 1.00 ATOM 75 CA GLY 90 18.899 8.773 25.697 1.00 1.00 ATOM 76 CA PHE 91 20.519 5.347 25.492 1.00 1.00 ATOM 77 CA PRO 92 19.854 2.691 24.389 1.00 1.00 ATOM 78 CA LEU 93 16.090 2.952 24.355 1.00 1.00 ATOM 79 CA GLY 94 15.484 6.143 22.379 1.00 1.00 ATOM 80 CA ALA 95 12.571 7.286 24.508 1.00 1.00 ATOM 81 CA ASN 96 10.632 10.372 23.487 1.00 1.00 ATOM 82 CA GLU 97 11.004 12.407 26.718 1.00 1.00 ATOM 83 CA THR 98 12.928 15.459 25.616 1.00 1.00 ATOM 84 CA ARG 99 13.512 16.774 29.117 1.00 1.00 ATOM 85 CA THR 100 15.285 13.557 30.125 1.00 1.00 ATOM 86 CA LYS 101 17.395 13.350 26.994 1.00 1.00 ATOM 87 CA ALA 102 18.380 16.984 27.406 1.00 1.00 ATOM 88 CA HIS 103 19.274 16.595 31.076 1.00 1.00 ATOM 89 CA GLU 104 21.458 13.601 30.211 1.00 1.00 ATOM 90 CA ALA 105 23.115 15.593 27.422 1.00 1.00 ATOM 91 CA ILE 106 23.753 18.537 29.728 1.00 1.00 ATOM 92 CA PHE 107 25.305 16.149 32.240 1.00 1.00 ATOM 93 CA ALA 108 27.511 14.573 29.565 1.00 1.00 ATOM 94 CA VAL 109 28.737 18.049 28.651 1.00 1.00 ATOM 95 CA GLU 110 29.390 18.858 32.320 1.00 1.00 ATOM 96 CA SER 111 31.354 15.664 32.816 1.00 1.00 ATOM 97 CA GLY 112 33.594 16.847 29.962 1.00 1.00 ATOM 98 CA ALA 113 32.407 15.000 26.835 1.00 1.00 ATOM 99 CA ASP 114 33.811 16.082 23.502 1.00 1.00 ATOM 100 CA GLU 115 30.959 14.350 21.630 1.00 1.00 ATOM 101 CA ILE 116 27.499 13.080 22.541 1.00 1.00 ATOM 102 CA ASP 117 25.760 10.228 20.670 1.00 1.00 ATOM 103 CA MET 118 22.036 10.628 21.363 1.00 1.00 ATOM 104 CA VAL 119 19.430 8.017 20.463 1.00 1.00 ATOM 105 CA ILE 120 16.688 9.334 18.192 1.00 1.00 ATOM 106 CA ASN 121 13.081 8.605 19.351 1.00 1.00 ATOM 107 CA VAL 122 12.646 6.004 16.644 1.00 1.00 ATOM 108 CA GLY 123 9.579 4.299 18.117 1.00 1.00 ATOM 109 CA MET 124 7.786 7.630 18.098 1.00 1.00 ATOM 110 CA LEU 125 8.628 8.095 14.428 1.00 1.00 ATOM 111 CA LYS 126 7.398 4.540 13.700 1.00 1.00 ATOM 112 CA ALA 127 4.135 5.591 15.371 1.00 1.00 ATOM 113 CA LYS 128 3.888 8.605 13.050 1.00 1.00 ATOM 114 CA GLU 129 5.410 11.371 15.208 1.00 1.00 ATOM 115 CA TRP 130 8.097 13.173 13.223 1.00 1.00 ATOM 116 CA GLU 131 8.050 16.294 15.350 1.00 1.00 ATOM 117 CA TYR 132 9.328 14.845 18.628 1.00 1.00 ATOM 118 CA VAL 133 12.531 13.559 17.011 1.00 1.00 ATOM 119 CA TYR 134 13.145 16.979 15.471 1.00 1.00 ATOM 120 CA GLU 135 12.543 18.708 18.791 1.00 1.00 ATOM 121 CA ASP 136 14.682 16.212 20.747 1.00 1.00 ATOM 122 CA ILE 137 17.678 16.398 18.421 1.00 1.00 ATOM 123 CA ARG 138 17.384 20.223 18.164 1.00 1.00 ATOM 124 CA SER 139 17.356 20.636 21.973 1.00 1.00 ATOM 125 CA VAL 140 20.392 18.426 22.371 1.00 1.00 ATOM 126 CA VAL 141 22.191 20.142 19.478 1.00 1.00 ATOM 127 CA GLU 142 21.672 23.533 21.025 1.00 1.00 ATOM 128 CA SER 143 23.276 22.440 24.310 1.00 1.00 ATOM 129 CA VAL 144 26.131 20.736 22.518 1.00 1.00 ATOM 130 CA LYS 145 26.834 23.600 20.144 1.00 1.00 ATOM 133 CA GLY 146 31.634 23.151 21.391 1.00 1.00 ATOM 134 CA LYS 147 30.539 19.492 21.609 1.00 1.00 ATOM 135 CA VAL 148 29.650 17.479 18.505 1.00 1.00 ATOM 136 CA VAL 149 26.300 15.712 18.362 1.00 1.00 ATOM 137 CA LYS 150 25.870 12.329 16.770 1.00 1.00 ATOM 138 CA VAL 151 22.358 10.913 16.355 1.00 1.00 ATOM 139 CA ILE 152 21.722 7.168 16.559 1.00 1.00 ATOM 140 CA ILE 153 18.651 6.334 14.486 1.00 1.00 ATOM 141 CA GLU 154 18.521 2.559 15.178 1.00 1.00 ATOM 142 CA THR 155 18.239 1.276 11.634 1.00 1.00 ATOM 143 CA CYS 156 17.677 -2.297 12.777 1.00 1.00 ATOM 144 CA TYR 157 14.506 -1.322 14.550 1.00 1.00 ATOM 145 CA LEU 158 13.256 1.157 11.942 1.00 1.00 ATOM 146 CA ASP 159 13.851 -1.494 9.273 1.00 1.00 ATOM 147 CA THR 160 12.092 0.120 6.348 1.00 1.00 ATOM 148 CA GLU 161 14.109 2.250 3.938 1.00 1.00 ATOM 149 CA GLU 162 11.619 5.106 4.056 1.00 1.00 ATOM 150 CA LYS 163 11.812 5.300 7.839 1.00 1.00 ATOM 151 CA ILE 164 15.645 5.141 7.805 1.00 1.00 ATOM 153 CA ALA 165 13.114 10.014 7.315 1.00 1.00 ATOM 154 CA ALA 166 14.913 9.596 10.640 1.00 1.00 ATOM 155 CA CYS 167 18.157 10.605 8.936 1.00 1.00 ATOM 156 CA VAL 168 16.555 13.634 7.308 1.00 1.00 ATOM 157 CA ILE 169 14.880 14.841 10.502 1.00 1.00 ATOM 158 CA SER 170 18.100 14.445 12.425 1.00 1.00 ATOM 159 CA LYS 171 20.067 16.426 9.839 1.00 1.00 ATOM 160 CA LEU 172 17.477 19.184 9.719 1.00 1.00 ATOM 161 CA ALA 173 17.573 19.387 13.530 1.00 1.00 ATOM 162 CA GLY 174 21.358 19.848 13.456 1.00 1.00 ATOM 163 CA ALA 175 23.015 16.422 13.763 1.00 1.00 ATOM 164 CA HIS 176 26.769 16.596 13.142 1.00 1.00 ATOM 165 CA PHE 177 26.816 12.823 12.467 1.00 1.00 ATOM 166 CA VAL 178 24.197 10.182 11.818 1.00 1.00 ATOM 167 CA LYS 179 24.950 6.794 13.373 1.00 1.00 ATOM 168 CA THR 180 23.266 3.537 12.459 1.00 1.00 ATOM 169 CA SER 181 22.737 1.796 15.750 1.00 1.00 ATOM 170 CA THR 182 23.165 1.429 19.456 1.00 1.00 ATOM 171 CA GLY 183 24.758 -1.990 19.268 1.00 1.00 ATOM 172 CA PHE 184 22.143 -3.121 21.791 1.00 1.00 ATOM 173 CA GLY 185 19.412 -4.495 19.517 1.00 1.00 ATOM 174 CA THR 186 19.407 -7.594 17.327 1.00 1.00 ATOM 175 CA GLY 187 20.234 -5.893 14.018 1.00 1.00 ATOM 176 CA GLY 188 22.798 -3.085 13.862 1.00 1.00 ATOM 177 CA ALA 189 24.976 -1.792 11.008 1.00 1.00 ATOM 178 CA THR 190 24.476 -3.320 7.591 1.00 1.00 ATOM 179 CA ALA 191 25.961 -2.220 4.259 1.00 1.00 ATOM 180 CA GLU 192 22.486 -1.474 2.920 1.00 1.00 ATOM 181 CA ASP 193 21.617 0.725 5.908 1.00 1.00 ATOM 182 CA VAL 194 24.919 2.526 5.548 1.00 1.00 ATOM 183 CA HIS 195 24.228 3.162 1.873 1.00 1.00 ATOM 184 CA LEU 196 20.764 4.486 2.598 1.00 1.00 ATOM 185 CA MET 197 21.991 6.894 5.264 1.00 1.00 ATOM 186 CA LYS 198 24.899 8.134 3.164 1.00 1.00 ATOM 187 CA TRP 199 22.466 8.665 0.267 1.00 1.00 ATOM 188 CA ILE 200 20.500 10.994 2.575 1.00 1.00 ATOM 189 CA VAL 201 23.662 12.999 3.223 1.00 1.00 ATOM 195 CA GLY 202 28.566 16.242 2.823 1.00 1.00 ATOM 196 CA ASP 203 30.524 19.107 4.428 1.00 1.00 ATOM 197 CA GLU 204 28.618 19.245 7.699 1.00 1.00 ATOM 198 CA MET 205 27.320 15.725 8.440 1.00 1.00 ATOM 199 CA GLY 206 29.327 12.605 9.013 1.00 1.00 ATOM 200 CA VAL 207 28.364 8.945 9.040 1.00 1.00 ATOM 201 CA LYS 208 29.003 6.193 11.592 1.00 1.00 ATOM 202 CA ALA 209 28.339 2.495 11.088 1.00 1.00 ATOM 203 CA SER 210 28.028 0.991 14.534 1.00 1.00 ATOM 204 CA GLY 211 27.147 -2.284 16.161 1.00 1.00 ATOM 205 CA GLY 212 28.457 -5.652 15.150 1.00 1.00 ATOM 206 CA ILE 213 31.416 -4.370 13.114 1.00 1.00 ATOM 207 CA ARG 214 33.970 -6.958 14.236 1.00 1.00 ATOM 208 CA THR 215 36.414 -7.797 11.501 1.00 1.00 ATOM 209 CA PHE 216 38.798 -5.931 9.223 1.00 1.00 ATOM 210 CA GLU 217 36.793 -7.260 6.256 1.00 1.00 ATOM 211 CA ASP 218 33.588 -5.794 7.751 1.00 1.00 ATOM 212 CA ALA 219 35.210 -2.407 8.093 1.00 1.00 ATOM 213 CA VAL 220 36.441 -2.592 4.548 1.00 1.00 ATOM 214 CA LYS 221 32.871 -2.984 3.245 1.00 1.00 ATOM 215 CA MET 222 31.758 0.275 4.848 1.00 1.00 ATOM 216 CA ILE 223 34.702 2.351 3.670 1.00 1.00 ATOM 229 CA MET 224 38.174 11.867 7.705 1.00 1.00 ATOM 230 CA TYR 225 37.494 11.990 11.421 1.00 1.00 ATOM 231 CA GLY 226 34.948 14.833 11.120 1.00 1.00 ATOM 232 CA ALA 227 32.988 12.842 8.545 1.00 1.00 ATOM 233 CA ASP 228 33.384 9.164 9.421 1.00 1.00 ATOM 234 CA ARG 229 33.900 6.936 12.435 1.00 1.00 ATOM 235 CA ILE 230 33.628 3.244 13.211 1.00 1.00 ATOM 236 CA GLY 231 31.604 2.706 16.365 1.00 1.00 ATOM 237 CA THR 232 33.053 -0.507 17.728 1.00 1.00 ATOM 238 CA SER 233 33.866 -2.377 20.916 1.00 1.00 ATOM 239 CA SER 234 35.383 -5.460 19.283 1.00 1.00 ATOM 240 CA GLY 235 37.027 -4.441 16.004 1.00 1.00 ATOM 241 CA VAL 236 40.472 -3.139 16.934 1.00 1.00 ATOM 242 CA LYS 237 42.211 -6.434 17.484 1.00 1.00 ATOM 243 CA ILE 238 41.156 -7.597 14.013 1.00 1.00 ATOM 244 CA VAL 239 42.450 -4.359 12.417 1.00 1.00 ATOM 245 CA GLN 240 45.810 -4.692 14.203 1.00 1.00 ATOM 246 CA GLY 241 46.078 -8.321 13.111 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:10:07 2002 Date: Tue, 20 Aug 2002 13:10:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Tue Aug 20 12:41:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_559659_29079 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS007_3 Current information on models submitted in prediction T0183TS007 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_3 PIN_559659_29079 6269-7633-6117 08/20/02 12:41:52 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 casp5@bialko.llnl.gov T0183TS007_3 PIN_559659_29079 6269-7633-6117 08/20/02 12:41:52 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 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 S 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 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 L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue I 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue G 242 # IMPORTANT NOTE! Not complete main chain atoms for residue E 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 245 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 221 # Total number of atoms in model: 221 # Number of atoms with 1.0 occupancy: 221 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 221 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1JCL_B ATOM 5 CA SER 25 6.451 5.319 67.412 1.00 1.00 ATOM 6 CA ALA 26 7.163 9.051 67.708 1.00 1.00 ATOM 7 CA GLY 27 10.845 8.528 66.825 1.00 1.00 ATOM 8 CA ILE 28 9.967 6.177 63.981 1.00 1.00 ATOM 9 CA GLU 29 7.605 8.616 62.296 1.00 1.00 ATOM 10 CA ASP 30 10.191 11.356 62.685 1.00 1.00 ATOM 11 CA VAL 31 12.918 9.146 61.261 1.00 1.00 ATOM 12 CA LYS 32 10.785 8.161 58.284 1.00 1.00 ATOM 13 CA SER 33 10.209 11.801 57.387 1.00 1.00 ATOM 14 CA ALA 34 13.974 12.461 57.674 1.00 1.00 ATOM 15 CA ILE 35 15.024 9.526 55.485 1.00 1.00 ATOM 16 CA GLU 36 17.156 9.727 52.357 1.00 1.00 ATOM 17 CA HIS 37 15.767 6.436 51.033 1.00 1.00 ATOM 18 CA THR 38 18.687 4.906 49.149 1.00 1.00 ATOM 19 CA ASN 39 19.664 2.460 46.468 1.00 1.00 ATOM 20 CA LEU 40 23.324 2.486 45.430 1.00 1.00 ATOM 21 CA LYS 41 24.110 -0.893 43.855 1.00 1.00 ATOM 22 CA PRO 42 25.876 -2.333 40.984 1.00 1.00 ATOM 23 CA PHE 43 22.780 -3.896 39.633 1.00 1.00 ATOM 24 CA ALA 44 20.556 -0.848 39.898 1.00 1.00 ATOM 25 CA THR 45 18.162 -0.213 37.007 1.00 1.00 ATOM 26 CA PRO 46 15.441 2.222 36.095 1.00 1.00 ATOM 27 CA ASP 47 12.905 -0.311 37.335 1.00 1.00 ATOM 28 CA ASP 48 14.600 -0.544 40.773 1.00 1.00 ATOM 29 CA ILE 49 14.744 3.241 41.038 1.00 1.00 ATOM 30 CA LYS 50 11.066 3.608 40.034 1.00 1.00 ATOM 31 CA LYS 51 10.189 1.066 42.724 1.00 1.00 ATOM 32 CA LEU 52 12.231 3.069 45.276 1.00 1.00 ATOM 33 CA CYS 53 10.374 6.240 44.371 1.00 1.00 ATOM 34 CA LEU 54 7.043 4.479 45.018 1.00 1.00 ATOM 35 CA GLU 55 8.378 3.201 48.337 1.00 1.00 ATOM 36 CA ALA 56 9.227 6.753 49.420 1.00 1.00 ATOM 37 CA ARG 57 5.507 7.585 49.325 1.00 1.00 ATOM 38 CA GLU 58 4.324 5.723 52.411 1.00 1.00 ATOM 39 CA ASN 59 0.902 5.477 54.108 1.00 1.00 ATOM 42 CA ARG 60 6.885 10.781 52.534 1.00 1.00 ATOM 43 CA PHE 61 10.582 10.386 53.100 1.00 1.00 ATOM 44 CA HIS 62 12.659 13.549 52.924 1.00 1.00 ATOM 45 CA GLY 63 14.537 12.365 49.852 1.00 1.00 ATOM 46 CA VAL 64 15.764 9.518 47.802 1.00 1.00 ATOM 47 CA CYS 65 19.456 8.900 47.117 1.00 1.00 ATOM 48 CA VAL 66 20.470 7.237 43.846 1.00 1.00 ATOM 49 CA ASN 67 23.371 7.240 41.382 1.00 1.00 ATOM 50 CA PRO 68 23.380 10.360 39.175 1.00 1.00 ATOM 51 CA CYS 69 22.318 8.633 35.949 1.00 1.00 ATOM 52 CA TYR 70 18.971 7.728 37.545 1.00 1.00 ATOM 53 CA VAL 71 18.061 11.287 38.551 1.00 1.00 ATOM 54 CA LYS 72 15.935 12.134 35.451 1.00 1.00 ATOM 55 CA LEU 73 13.749 9.030 35.654 1.00 1.00 ATOM 56 CA ALA 74 13.405 9.429 39.423 1.00 1.00 ATOM 57 CA ARG 75 12.305 13.049 39.002 1.00 1.00 ATOM 58 CA GLU 76 9.643 11.973 36.480 1.00 1.00 ATOM 59 CA GLU 77 8.428 9.200 38.733 1.00 1.00 ATOM 60 CA LEU 78 8.190 11.422 41.813 1.00 1.00 ATOM 61 CA GLU 79 6.296 13.979 39.807 1.00 1.00 ATOM 62 CA GLY 80 3.787 11.502 38.355 1.00 1.00 ATOM 63 CA THR 81 2.972 10.108 41.789 1.00 1.00 ATOM 64 CA ASP 82 2.264 13.511 43.176 1.00 1.00 ATOM 68 CA VAL 83 10.676 14.474 47.811 1.00 1.00 ATOM 69 CA LYS 84 14.206 15.648 47.183 1.00 1.00 ATOM 70 CA VAL 85 16.707 13.857 44.976 1.00 1.00 ATOM 71 CA VAL 86 20.145 13.322 46.473 1.00 1.00 ATOM 72 CA THR 87 23.046 11.588 44.772 1.00 1.00 ATOM 73 CA VAL 88 26.671 10.696 45.415 1.00 1.00 ATOM 74 CA VAL 89 29.985 11.816 43.935 1.00 1.00 ATOM 75 CA GLY 90 33.634 10.907 44.490 1.00 1.00 ATOM 76 CA PHE 91 31.967 7.678 45.587 1.00 1.00 ATOM 77 CA PRO 92 32.630 5.396 47.344 1.00 1.00 ATOM 78 CA LEU 93 36.385 5.628 47.328 1.00 1.00 ATOM 79 CA GLY 94 37.017 9.210 48.386 1.00 1.00 ATOM 80 CA ALA 95 39.941 9.723 46.067 1.00 1.00 ATOM 81 CA ASN 96 41.927 12.944 46.217 1.00 1.00 ATOM 82 CA GLU 97 41.525 14.045 42.579 1.00 1.00 ATOM 83 CA THR 98 39.627 17.313 42.843 1.00 1.00 ATOM 84 CA ARG 99 39.072 17.621 39.116 1.00 1.00 ATOM 85 CA THR 100 37.297 14.270 39.016 1.00 1.00 ATOM 86 CA LYS 101 35.190 14.974 42.112 1.00 1.00 ATOM 87 CA ALA 102 34.217 18.371 40.732 1.00 1.00 ATOM 88 CA HIS 103 33.337 17.052 37.268 1.00 1.00 ATOM 89 CA GLU 104 31.104 14.389 38.835 1.00 1.00 ATOM 90 CA ALA 105 29.468 17.062 41.014 1.00 1.00 ATOM 91 CA ILE 106 28.854 19.296 38.016 1.00 1.00 ATOM 92 CA PHE 107 27.314 16.358 36.203 1.00 1.00 ATOM 93 CA ALA 108 25.078 15.557 39.170 1.00 1.00 ATOM 94 CA VAL 109 23.900 19.189 39.138 1.00 1.00 ATOM 95 CA GLU 110 23.259 18.992 35.383 1.00 1.00 ATOM 96 CA SER 111 21.239 15.780 35.703 1.00 1.00 ATOM 97 CA GLY 112 19.047 17.709 38.161 1.00 1.00 ATOM 98 CA ALA 113 20.198 16.729 41.669 1.00 1.00 ATOM 99 CA ASP 114 18.769 18.642 44.607 1.00 1.00 ATOM 100 CA GLU 115 21.628 17.478 46.857 1.00 1.00 ATOM 101 CA ILE 116 25.063 15.934 46.379 1.00 1.00 ATOM 102 CA ASP 117 26.716 13.694 48.972 1.00 1.00 ATOM 103 CA MET 118 30.455 13.811 48.179 1.00 1.00 ATOM 104 CA VAL 119 33.074 11.537 49.726 1.00 1.00 ATOM 105 CA ILE 120 35.826 13.404 51.589 1.00 1.00 ATOM 106 CA ASN 121 39.431 12.382 50.696 1.00 1.00 ATOM 107 CA VAL 122 39.836 10.555 53.970 1.00 1.00 ATOM 108 CA GLY 123 42.913 8.504 53.016 1.00 1.00 ATOM 109 CA MET 124 44.684 11.740 52.165 1.00 1.00 ATOM 110 CA LEU 125 43.849 13.065 55.634 1.00 1.00 ATOM 111 CA LYS 126 45.101 9.804 57.202 1.00 1.00 ATOM 112 CA ALA 127 48.355 10.447 55.287 1.00 1.00 ATOM 113 CA LYS 128 48.656 13.950 56.831 1.00 1.00 ATOM 114 CA GLU 129 47.133 16.018 54.035 1.00 1.00 ATOM 115 CA TRP 130 44.440 18.316 55.461 1.00 1.00 ATOM 116 CA GLU 131 44.506 20.741 52.580 1.00 1.00 ATOM 117 CA TYR 132 43.225 18.526 49.789 1.00 1.00 ATOM 118 CA VAL 133 40.041 17.749 51.759 1.00 1.00 ATOM 119 CA TYR 134 39.456 21.441 52.316 1.00 1.00 ATOM 120 CA GLU 135 40.018 22.209 48.645 1.00 1.00 ATOM 121 CA ASP 136 37.916 19.332 47.375 1.00 1.00 ATOM 122 CA ILE 137 34.920 20.178 49.542 1.00 1.00 ATOM 123 CA ARG 138 35.223 23.874 48.804 1.00 1.00 ATOM 124 CA SER 139 35.290 23.316 45.028 1.00 1.00 ATOM 125 CA VAL 140 32.224 21.090 45.195 1.00 1.00 ATOM 126 CA VAL 141 30.411 23.504 47.522 1.00 1.00 ATOM 127 CA GLU 142 30.974 26.410 45.199 1.00 1.00 ATOM 128 CA SER 143 29.416 24.499 42.268 1.00 1.00 ATOM 129 CA VAL 144 26.496 23.310 44.385 1.00 1.00 ATOM 130 CA LYS 145 25.793 26.698 46.007 1.00 1.00 ATOM 133 CA GLY 146 21.027 26.001 44.837 1.00 1.00 ATOM 134 CA LYS 147 22.050 22.402 45.570 1.00 1.00 ATOM 135 CA VAL 148 22.964 21.254 49.130 1.00 1.00 ATOM 136 CA VAL 149 26.306 19.559 49.710 1.00 1.00 ATOM 137 CA LYS 150 26.694 16.710 52.198 1.00 1.00 ATOM 138 CA VAL 151 30.231 15.448 52.965 1.00 1.00 ATOM 139 CA ILE 152 30.832 11.804 53.775 1.00 1.00 ATOM 140 CA ILE 153 33.922 11.457 56.000 1.00 1.00 ATOM 141 CA GLU 154 33.968 7.610 56.277 1.00 1.00 ATOM 142 CA THR 155 34.248 7.299 60.063 1.00 1.00 ATOM 143 CA CYS 156 34.755 3.521 59.886 1.00 1.00 ATOM 144 CA TYR 157 37.965 3.981 57.922 1.00 1.00 ATOM 145 CA LEU 158 39.189 7.037 59.809 1.00 1.00 ATOM 146 CA ASP 159 38.555 5.132 63.059 1.00 1.00 ATOM 147 CA THR 160 40.380 7.411 65.476 1.00 1.00 ATOM 148 CA GLU 161 38.286 10.031 67.273 1.00 1.00 ATOM 149 CA GLU 162 40.769 12.808 66.523 1.00 1.00 ATOM 151 CA LYS 163 36.839 11.956 62.834 1.00 1.00 ATOM 152 CA ILE 164 36.825 15.344 64.479 1.00 1.00 ATOM 153 CA ALA 165 39.394 16.732 62.097 1.00 1.00 ATOM 154 CA ALA 166 37.628 15.575 58.944 1.00 1.00 ATOM 155 CA CYS 167 34.375 16.983 60.324 1.00 1.00 ATOM 156 CA VAL 168 36.056 20.329 61.100 1.00 1.00 ATOM 157 CA ILE 169 37.749 20.639 57.693 1.00 1.00 ATOM 158 CA SER 170 34.496 19.785 55.933 1.00 1.00 ATOM 159 CA LYS 171 32.569 22.382 57.921 1.00 1.00 ATOM 160 CA LEU 172 35.231 25.053 57.298 1.00 1.00 ATOM 161 CA ALA 173 35.150 24.252 53.578 1.00 1.00 ATOM 162 CA GLY 174 31.383 24.759 53.432 1.00 1.00 ATOM 163 CA ALA 175 29.655 21.451 54.023 1.00 1.00 ATOM 164 CA HIS 176 25.886 21.806 54.498 1.00 1.00 ATOM 165 CA PHE 177 25.792 18.364 56.133 1.00 1.00 ATOM 166 CA VAL 178 28.387 15.957 57.464 1.00 1.00 ATOM 167 CA LYS 179 27.624 12.274 56.909 1.00 1.00 ATOM 168 CA THR 180 29.253 9.312 58.663 1.00 1.00 ATOM 169 CA SER 181 29.785 6.777 55.950 1.00 1.00 ATOM 170 CA THR 182 29.312 5.449 52.447 1.00 1.00 ATOM 171 CA GLY 183 27.711 2.197 53.593 1.00 1.00 ATOM 172 CA PHE 184 30.279 0.412 51.374 1.00 1.00 ATOM 173 CA GLY 185 33.023 -0.326 53.943 1.00 1.00 ATOM 174 CA THR 186 33.041 -2.729 56.867 1.00 1.00 ATOM 175 CA GLY 187 32.164 -0.228 59.626 1.00 1.00 ATOM 176 CA GLY 188 29.642 2.585 59.001 1.00 1.00 ATOM 177 CA ALA 189 27.438 4.572 61.381 1.00 1.00 ATOM 178 CA THR 190 27.774 3.935 65.094 1.00 1.00 ATOM 179 CA ALA 191 26.217 5.924 67.947 1.00 1.00 ATOM 180 CA GLU 192 29.744 6.808 69.110 1.00 1.00 ATOM 181 CA ASP 193 30.815 8.179 65.715 1.00 1.00 ATOM 182 CA VAL 194 27.538 10.072 65.409 1.00 1.00 ATOM 183 CA HIS 195 28.056 11.661 68.826 1.00 1.00 ATOM 184 CA LEU 196 31.620 12.721 67.922 1.00 1.00 ATOM 185 CA MET 197 30.479 14.367 64.680 1.00 1.00 ATOM 186 CA LYS 198 27.539 16.149 66.279 1.00 1.00 ATOM 187 CA TRP 199 29.796 17.357 69.081 1.00 1.00 ATOM 188 CA ILE 200 31.967 18.980 66.380 1.00 1.00 ATOM 189 CA VAL 201 28.929 20.757 64.968 1.00 1.00 ATOM 195 CA GLY 202 24.283 23.790 64.217 1.00 1.00 ATOM 196 CA ASP 203 22.130 26.324 62.343 1.00 1.00 ATOM 197 CA GLU 204 24.073 25.814 59.078 1.00 1.00 ATOM 198 CA MET 205 25.334 22.226 59.250 1.00 1.00 ATOM 199 CA GLY 206 23.198 19.127 59.451 1.00 1.00 ATOM 200 CA VAL 207 24.078 15.547 60.380 1.00 1.00 ATOM 201 CA LYS 208 23.419 12.292 58.519 1.00 1.00 ATOM 202 CA ALA 209 24.180 8.879 59.971 1.00 1.00 ATOM 203 CA SER 210 24.400 6.324 57.165 1.00 1.00 ATOM 204 CA GLY 211 25.230 2.709 56.633 1.00 1.00 ATOM 205 CA GLY 212 23.927 -0.157 58.659 1.00 1.00 ATOM 206 CA ILE 213 20.967 1.770 60.217 1.00 1.00 ATOM 207 CA ARG 214 18.385 -0.988 59.936 1.00 1.00 ATOM 208 CA THR 215 15.896 -1.007 62.832 1.00 1.00 ATOM 209 CA PHE 216 13.484 1.420 64.414 1.00 1.00 ATOM 210 CA GLU 217 15.498 1.136 67.657 1.00 1.00 ATOM 211 CA ASP 218 18.663 2.066 65.773 1.00 1.00 ATOM 212 CA ALA 219 17.014 5.205 64.429 1.00 1.00 ATOM 213 CA VAL 220 15.732 6.037 67.875 1.00 1.00 ATOM 226 CA LYS 221 13.305 20.711 67.770 1.00 1.00 ATOM 227 CA MET 222 16.674 20.799 66.010 1.00 1.00 ATOM 228 CA ILE 223 16.495 17.688 63.822 1.00 1.00 ATOM 229 CA MET 224 14.364 18.849 60.899 1.00 1.00 ATOM 230 CA TYR 225 15.001 17.960 57.274 1.00 1.00 ATOM 231 CA GLY 226 17.544 20.742 56.786 1.00 1.00 ATOM 232 CA ALA 227 19.549 19.517 59.800 1.00 1.00 ATOM 233 CA ASP 228 19.105 15.721 59.965 1.00 1.00 ATOM 234 CA ARG 229 18.754 12.831 57.543 1.00 1.00 ATOM 235 CA ILE 230 18.980 9.054 57.730 1.00 1.00 ATOM 236 CA GLY 231 20.959 7.418 54.933 1.00 1.00 ATOM 237 CA THR 232 19.304 4.038 54.645 1.00 1.00 ATOM 238 CA SER 233 18.537 1.424 52.001 1.00 1.00 ATOM 239 CA SER 234 16.962 -0.984 54.448 1.00 1.00 ATOM 240 CA GLY 235 15.336 0.857 57.471 1.00 1.00 ATOM 241 CA VAL 236 11.995 1.975 56.084 1.00 1.00 ATOM 242 CA LYS 237 10.234 -1.377 56.463 1.00 1.00 ATOM 243 CA ILE 238 11.283 -1.498 60.131 1.00 1.00 ATOM 244 CA VAL 239 9.936 2.010 60.758 1.00 1.00 ATOM 245 CA GLN 240 6.649 1.202 59.063 1.00 1.00 ATOM 246 CA GLY 241 6.322 -2.004 61.075 1.00 1.00 ATOM 247 CA GLY 242 6.956 -0.057 64.326 1.00 1.00 ATOM 248 CA GLU 243 4.099 2.274 63.264 1.00 1.00 ATOM 249 CA GLU 244 1.679 -0.582 62.535 1.00 1.00 ATOM 250 CA ARG 245 1.912 -0.394 58.765 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:07:30 2002 Date: Tue, 20 Aug 2002 13:07:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Tue Aug 20 12:39:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_532960_29072 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS007_5 Current information on models submitted in prediction T0183TS007 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1QCW_A # Loading PARENT structure: 1qcw (chain: A) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 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 L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 145 # Total number of atoms in model: 145 # Number of atoms with 1.0 occupancy: 145 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 145 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1QCW_A ATOM 236 CA ASP 47 81.478 43.729 -5.228 1.00 1.00 ATOM 237 CA ASP 48 78.607 41.784 -6.767 1.00 1.00 ATOM 238 CA ILE 49 76.598 44.932 -7.491 1.00 1.00 ATOM 239 CA LYS 50 79.462 46.583 -9.339 1.00 1.00 ATOM 240 CA LYS 51 80.253 43.356 -11.189 1.00 1.00 ATOM 241 CA LEU 52 76.610 42.965 -12.224 1.00 1.00 ATOM 242 CA CYS 53 76.881 46.160 -14.290 1.00 1.00 ATOM 243 CA LEU 54 76.537 45.276 -18.018 1.00 1.00 ATOM 244 CA GLU 55 78.244 48.428 -19.297 1.00 1.00 ATOM 245 CA ALA 56 81.640 50.087 -18.896 1.00 1.00 ATOM 246 CA ARG 57 79.858 53.289 -19.861 1.00 1.00 ATOM 249 CA GLU 58 77.757 53.758 -10.284 1.00 1.00 ATOM 250 CA ASN 59 77.994 55.995 -7.240 1.00 1.00 ATOM 251 CA ARG 60 78.273 54.791 -3.656 1.00 1.00 ATOM 252 CA PHE 61 76.062 55.902 -0.776 1.00 1.00 ATOM 253 CA HIS 62 77.999 55.973 2.472 1.00 1.00 ATOM 254 CA GLY 63 76.620 55.655 6.006 1.00 1.00 ATOM 255 CA VAL 64 79.642 56.326 8.224 1.00 1.00 ATOM 256 CA CYS 65 79.923 53.707 10.950 1.00 1.00 ATOM 257 CA VAL 66 80.512 54.510 14.608 1.00 1.00 ATOM 258 CA ASN 67 83.513 52.209 14.175 1.00 1.00 ATOM 259 CA PRO 68 85.198 54.495 11.650 1.00 1.00 ATOM 260 CA CYS 69 87.685 51.722 10.831 1.00 1.00 ATOM 261 CA TYR 70 84.916 49.838 9.069 1.00 1.00 ATOM 262 CA VAL 71 83.966 52.901 7.029 1.00 1.00 ATOM 263 CA LYS 72 87.591 53.686 6.231 1.00 1.00 ATOM 264 CA LEU 73 87.925 50.277 4.610 1.00 1.00 ATOM 265 CA ALA 74 84.568 50.642 2.796 1.00 1.00 ATOM 266 CA ARG 75 85.704 53.859 1.171 1.00 1.00 ATOM 267 CA GLU 76 88.933 52.133 0.104 1.00 1.00 ATOM 268 CA GLU 77 87.078 49.127 -1.298 1.00 1.00 ATOM 269 CA LEU 78 84.335 50.838 -3.275 1.00 1.00 ATOM 270 CA GLU 79 86.858 53.391 -4.525 1.00 1.00 ATOM 271 CA GLY 80 89.035 50.502 -5.701 1.00 1.00 ATOM 272 CA THR 81 85.970 48.749 -7.154 1.00 1.00 ATOM 273 CA ASP 82 85.571 51.771 -9.423 1.00 1.00 ATOM 274 CA VAL 83 82.545 53.681 -8.098 1.00 1.00 ATOM 275 CA LYS 84 82.541 57.234 -9.500 1.00 1.00 ATOM 276 CA VAL 85 81.550 59.203 -6.378 1.00 1.00 ATOM 277 CA VAL 86 80.718 59.096 -2.676 1.00 1.00 ATOM 278 CA THR 87 77.318 60.211 -1.403 1.00 1.00 ATOM 279 CA VAL 88 77.587 60.317 2.390 1.00 1.00 ATOM 295 CA VAL 89 54.120 44.788 11.138 1.00 1.00 ATOM 296 CA GLY 90 56.319 43.481 13.974 1.00 1.00 ATOM 297 CA PHE 91 53.114 43.051 16.035 1.00 1.00 ATOM 326 CA LYS 128 75.100 54.955 11.260 1.00 1.00 ATOM 327 CA GLU 129 77.291 57.130 13.482 1.00 1.00 ATOM 328 CA TRP 130 75.133 59.859 15.186 1.00 1.00 ATOM 329 CA GLU 131 78.267 61.952 15.727 1.00 1.00 ATOM 330 CA TYR 132 79.226 62.814 12.125 1.00 1.00 ATOM 331 CA VAL 133 80.449 66.371 11.740 1.00 1.00 ATOM 332 CA TYR 134 81.571 68.795 9.066 1.00 1.00 ATOM 333 CA GLU 135 85.074 68.057 10.339 1.00 1.00 ATOM 334 CA ASP 136 84.564 64.406 9.465 1.00 1.00 ATOM 335 CA ILE 137 83.644 65.305 5.925 1.00 1.00 ATOM 336 CA ARG 138 86.749 67.490 5.840 1.00 1.00 ATOM 337 CA SER 139 88.738 64.394 6.721 1.00 1.00 ATOM 338 CA VAL 140 86.836 62.163 4.303 1.00 1.00 ATOM 339 CA VAL 141 88.097 64.460 1.536 1.00 1.00 ATOM 340 CA GLU 142 91.645 63.546 2.391 1.00 1.00 ATOM 341 CA SER 143 91.054 59.790 2.380 1.00 1.00 ATOM 342 CA VAL 144 89.572 59.747 -1.128 1.00 1.00 ATOM 343 CA LYS 145 89.926 61.015 -4.685 1.00 1.00 ATOM 344 CA VAL 149 86.227 60.389 -5.321 1.00 1.00 ATOM 345 CA LYS 150 83.838 63.354 -5.576 1.00 1.00 ATOM 346 CA VAL 151 82.002 63.753 -2.284 1.00 1.00 ATOM 347 CA ILE 152 78.314 64.619 -2.115 1.00 1.00 ATOM 348 CA ILE 153 76.582 65.264 1.221 1.00 1.00 ATOM 350 CA GLU 154 70.397 64.945 2.866 1.00 1.00 ATOM 351 CA THR 155 70.776 68.721 3.168 1.00 1.00 ATOM 352 CA CYS 156 67.533 70.466 4.235 1.00 1.00 ATOM 353 CA TYR 157 68.469 74.141 4.440 1.00 1.00 ATOM 354 CA LEU 158 70.285 76.757 2.331 1.00 1.00 ATOM 355 CA LYS 163 72.612 77.412 5.249 1.00 1.00 ATOM 356 CA ILE 164 74.066 73.885 4.980 1.00 1.00 ATOM 357 CA ALA 165 74.382 74.034 1.193 1.00 1.00 ATOM 358 CA ALA 166 76.595 77.036 1.807 1.00 1.00 ATOM 359 CA CYS 167 78.574 75.177 4.503 1.00 1.00 ATOM 360 CA VAL 168 79.076 72.298 2.069 1.00 1.00 ATOM 361 CA ILE 169 80.534 74.704 -0.457 1.00 1.00 ATOM 362 CA SER 170 82.730 76.138 2.288 1.00 1.00 ATOM 363 CA ALA 173 84.384 72.798 3.143 1.00 1.00 ATOM 364 CA GLY 174 84.686 72.320 -0.595 1.00 1.00 ATOM 365 CA ALA 175 82.789 69.096 -1.313 1.00 1.00 ATOM 366 CA HIS 176 81.832 68.162 -4.891 1.00 1.00 ATOM 367 CA PHE 177 78.099 68.466 -4.546 1.00 1.00 ATOM 368 CA VAL 178 75.048 68.269 -2.334 1.00 1.00 ATOM 369 CA LYS 179 71.693 66.524 -2.503 1.00 1.00 ATOM 370 CA THR 180 68.762 68.601 -1.323 1.00 1.00 ATOM 371 CA SER 181 66.833 65.708 0.216 1.00 1.00 ATOM 376 CA THR 182 61.633 58.622 5.895 1.00 1.00 ATOM 377 CA GLY 183 63.386 60.787 8.456 1.00 1.00 ATOM 378 CA PHE 184 62.232 64.149 9.874 1.00 1.00 ATOM 379 CA GLY 185 58.556 64.768 9.203 1.00 1.00 ATOM 380 CA THR 186 57.781 68.410 8.420 1.00 1.00 ATOM 381 CA GLY 187 61.031 68.880 6.567 1.00 1.00 ATOM 382 CA GLY 188 60.346 70.995 3.467 1.00 1.00 ATOM 383 CA ALA 189 60.029 69.587 -0.024 1.00 1.00 ATOM 384 CA THR 190 63.520 69.599 -1.614 1.00 1.00 ATOM 385 CA ALA 191 62.217 71.380 -4.744 1.00 1.00 ATOM 386 CA GLU 192 61.012 74.126 -2.412 1.00 1.00 ATOM 387 CA ASP 193 64.482 74.410 -0.906 1.00 1.00 ATOM 388 CA VAL 194 66.075 74.236 -4.357 1.00 1.00 ATOM 389 CA HIS 195 64.131 77.321 -5.438 1.00 1.00 ATOM 390 CA LEU 196 65.416 79.170 -2.360 1.00 1.00 ATOM 391 CA MET 197 69.035 77.989 -2.567 1.00 1.00 ATOM 392 CA LYS 198 70.245 78.390 -6.201 1.00 1.00 ATOM 393 CA TRP 199 69.672 82.185 -6.356 1.00 1.00 ATOM 394 CA ILE 200 71.851 82.520 -3.261 1.00 1.00 ATOM 395 CA VAL 201 74.450 80.191 -4.761 1.00 1.00 ATOM 401 CA GLY 202 76.648 77.944 -8.529 1.00 1.00 ATOM 402 CA ASP 203 79.299 76.220 -10.605 1.00 1.00 ATOM 403 CA GLU 204 81.431 75.214 -7.616 1.00 1.00 ATOM 404 CA MET 205 78.731 73.023 -6.101 1.00 1.00 ATOM 405 CA GLY 206 76.564 70.415 -7.815 1.00 1.00 ATOM 406 CA VAL 207 73.093 70.549 -6.299 1.00 1.00 ATOM 407 CA LYS 208 71.074 67.359 -6.744 1.00 1.00 ATOM 408 CA ALA 209 67.512 66.957 -5.511 1.00 1.00 ATOM 409 CA SER 210 65.290 63.958 -4.826 1.00 1.00 ATOM 410 CA GLY 211 61.998 62.830 -3.302 1.00 1.00 ATOM 411 CA GLY 212 58.487 62.800 -4.744 1.00 1.00 ATOM 412 CA ILE 213 59.605 62.761 -8.398 1.00 1.00 ATOM 413 CA ARG 214 57.193 60.672 -10.474 1.00 1.00 ATOM 414 CA THR 215 57.035 62.453 -13.822 1.00 1.00 ATOM 415 CA PHE 216 59.324 63.973 -16.442 1.00 1.00 ATOM 416 CA GLU 217 57.663 67.324 -15.765 1.00 1.00 ATOM 417 CA ASP 218 58.842 67.013 -12.119 1.00 1.00 ATOM 418 CA ALA 219 62.392 66.405 -13.324 1.00 1.00 ATOM 419 CA VAL 220 62.062 69.393 -15.697 1.00 1.00 ATOM 420 CA LYS 221 61.048 71.785 -12.911 1.00 1.00 ATOM 421 CA MET 222 64.016 70.780 -10.747 1.00 1.00 ATOM 422 CA ILE 223 66.361 71.039 -13.766 1.00 1.00 ATOM 423 CA MET 224 64.856 74.431 -14.527 1.00 1.00 ATOM 424 CA TYR 225 65.575 75.650 -10.994 1.00 1.00 ATOM 425 CA GLY 226 69.199 74.576 -11.225 1.00 1.00 ATOM 426 CA ALA 227 69.485 70.940 -10.132 1.00 1.00 ATOM 427 CA ASP 228 72.366 69.107 -11.810 1.00 1.00 ATOM 428 CA ARG 229 70.403 65.867 -11.767 1.00 1.00 ATOM 429 CA ILE 230 67.164 64.607 -10.154 1.00 1.00 ATOM 430 CA GLY 231 66.844 61.354 -8.249 1.00 1.00 ATOM 431 CA THR 232 64.084 58.826 -7.793 1.00 1.00 ATOM 432 CA SER 233 64.060 56.043 -5.199 1.00 1.00 ATOM 433 CA SER 234 60.764 54.265 -4.780 1.00 1.00 ATOM 434 CA GLY 235 59.677 54.202 -8.463 1.00 1.00 ATOM 435 CA VAL 236 62.763 52.230 -9.552 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:13:30 2002 Date: Tue, 20 Aug 2002 13:13:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Tue Aug 20 12:45:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_597170_29090 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS007_4 Current information on models submitted in prediction T0183TS007 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_4 PIN_597170_29090 6269-7633-6117 08/20/02 12:45:27 casp5@bialko.llnl.gov T0183TS007_1 PIN_579700_29085 6269-7633-6117 08/20/02 12:43:49 casp5@bialko.llnl.gov T0183TS007_3 PIN_559659_29079 6269-7633-6117 08/20/02 12:41:52 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS007_1 PIN_579700_29085 6269-7633-6117 08/20/02 12:43:49 casp5@bialko.llnl.gov T0183TS007_2 PIN_528249_29069 6269-7633-6117 08/20/02 12:38:38 casp5@bialko.llnl.gov T0183TS007_3 PIN_559659_29079 6269-7633-6117 08/20/02 12:41:52 casp5@bialko.llnl.gov T0183TS007_4 PIN_597170_29090 6269-7633-6117 08/20/02 12:45:27 casp5@bialko.llnl.gov T0183TS007_5 PIN_532960_29072 6269-7633-6117 08/20/02 12:39:36 casp5@bialko.llnl.gov T0183SS007_1 PIN_311679_24579 6269-7633-6117 08/15/02 06:18:14 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 T0183 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 S 25 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 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 L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 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 T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue V 236 # IMPORTANT NOTE! Not complete main chain atoms for residue K 237 # IMPORTANT NOTE! Not complete main chain atoms for residue I 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue G 241 # IMPORTANT NOTE! Not complete main chain atoms for residue G 242 # IMPORTANT NOTE! Not complete main chain atoms for residue E 243 # IMPORTANT NOTE! Not complete main chain atoms for residue E 244 # IMPORTANT NOTE! Not complete main chain atoms for residue R 245 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 221 # Total number of atoms in model: 221 # Number of atoms with 1.0 occupancy: 221 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 221 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JCJ_B ATOM 5 CA SER 25 6.514 5.684 67.398 1.00 1.00 ATOM 6 CA ALA 26 7.226 9.407 67.672 1.00 1.00 ATOM 7 CA GLY 27 10.882 8.894 66.823 1.00 1.00 ATOM 8 CA ILE 28 10.033 6.546 63.986 1.00 1.00 ATOM 9 CA GLU 29 7.661 9.004 62.298 1.00 1.00 ATOM 10 CA ASP 30 10.228 11.736 62.674 1.00 1.00 ATOM 11 CA VAL 31 12.923 9.519 61.234 1.00 1.00 ATOM 12 CA LYS 32 10.784 8.553 58.261 1.00 1.00 ATOM 13 CA SER 33 10.154 12.194 57.403 1.00 1.00 ATOM 14 CA ALA 34 13.923 12.867 57.684 1.00 1.00 ATOM 15 CA ILE 35 14.997 9.942 55.511 1.00 1.00 ATOM 16 CA GLU 36 17.174 10.096 52.418 1.00 1.00 ATOM 17 CA HIS 37 15.795 6.816 51.022 1.00 1.00 ATOM 18 CA THR 38 18.700 5.252 49.151 1.00 1.00 ATOM 19 CA ASN 39 19.609 2.849 46.403 1.00 1.00 ATOM 20 CA LEU 40 23.279 2.836 45.386 1.00 1.00 ATOM 21 CA LYS 41 24.075 -0.537 43.833 1.00 1.00 ATOM 22 CA PRO 42 25.886 -2.028 40.978 1.00 1.00 ATOM 23 CA PHE 43 22.773 -3.563 39.552 1.00 1.00 ATOM 24 CA ALA 44 20.558 -0.497 39.814 1.00 1.00 ATOM 25 CA THR 45 18.169 0.161 36.952 1.00 1.00 ATOM 26 CA PRO 46 15.437 2.632 36.081 1.00 1.00 ATOM 27 CA ASP 47 12.831 0.097 37.246 1.00 1.00 ATOM 28 CA ASP 48 14.509 -0.140 40.717 1.00 1.00 ATOM 29 CA ILE 49 14.720 3.660 40.997 1.00 1.00 ATOM 30 CA LYS 50 11.081 4.002 39.994 1.00 1.00 ATOM 31 CA LYS 51 10.180 1.469 42.691 1.00 1.00 ATOM 32 CA LEU 52 12.221 3.447 45.217 1.00 1.00 ATOM 33 CA CYS 53 10.364 6.632 44.331 1.00 1.00 ATOM 34 CA LEU 54 7.080 4.850 44.972 1.00 1.00 ATOM 35 CA GLU 55 8.433 3.582 48.320 1.00 1.00 ATOM 36 CA ALA 56 9.260 7.159 49.357 1.00 1.00 ATOM 37 CA ARG 57 5.515 8.036 49.285 1.00 1.00 ATOM 38 CA GLU 58 4.407 6.110 52.368 1.00 1.00 ATOM 39 CA ASN 59 0.979 5.830 54.054 1.00 1.00 ATOM 42 CA ARG 60 6.875 11.193 52.426 1.00 1.00 ATOM 43 CA PHE 61 10.581 10.781 53.043 1.00 1.00 ATOM 44 CA HIS 62 12.650 13.930 52.870 1.00 1.00 ATOM 45 CA GLY 63 14.624 12.769 49.866 1.00 1.00 ATOM 46 CA VAL 64 15.871 9.898 47.825 1.00 1.00 ATOM 47 CA CYS 65 19.566 9.233 47.154 1.00 1.00 ATOM 48 CA VAL 66 20.521 7.597 43.858 1.00 1.00 ATOM 49 CA ASN 67 23.380 7.544 41.372 1.00 1.00 ATOM 50 CA PRO 68 23.390 10.648 39.151 1.00 1.00 ATOM 51 CA CYS 69 22.337 8.966 35.942 1.00 1.00 ATOM 52 CA TYR 70 18.969 8.100 37.496 1.00 1.00 ATOM 53 CA VAL 71 18.079 11.660 38.510 1.00 1.00 ATOM 54 CA LYS 72 15.967 12.514 35.442 1.00 1.00 ATOM 55 CA LEU 73 13.768 9.397 35.646 1.00 1.00 ATOM 56 CA ALA 74 13.432 9.795 39.400 1.00 1.00 ATOM 57 CA ARG 75 12.354 13.445 38.971 1.00 1.00 ATOM 58 CA GLU 76 9.688 12.413 36.443 1.00 1.00 ATOM 59 CA GLU 77 8.463 9.618 38.672 1.00 1.00 ATOM 60 CA LEU 78 8.225 11.789 41.777 1.00 1.00 ATOM 61 CA GLU 79 6.343 14.395 39.822 1.00 1.00 ATOM 62 CA GLY 80 3.886 11.958 38.309 1.00 1.00 ATOM 63 CA THR 81 2.959 10.496 41.747 1.00 1.00 ATOM 64 CA ASP 82 2.360 13.913 43.123 1.00 1.00 ATOM 68 CA VAL 83 10.761 14.854 47.754 1.00 1.00 ATOM 69 CA LYS 84 14.305 16.019 47.175 1.00 1.00 ATOM 70 CA VAL 85 16.789 14.222 44.972 1.00 1.00 ATOM 71 CA VAL 86 20.227 13.667 46.441 1.00 1.00 ATOM 72 CA THR 87 23.138 11.921 44.714 1.00 1.00 ATOM 73 CA VAL 88 26.754 11.007 45.369 1.00 1.00 ATOM 74 CA VAL 89 30.063 12.141 43.903 1.00 1.00 ATOM 75 CA GLY 90 33.686 11.236 44.433 1.00 1.00 ATOM 76 CA PHE 91 32.052 8.019 45.545 1.00 1.00 ATOM 77 CA PRO 92 32.693 5.729 47.274 1.00 1.00 ATOM 78 CA LEU 93 36.444 5.999 47.308 1.00 1.00 ATOM 79 CA GLY 94 37.064 9.594 48.326 1.00 1.00 ATOM 80 CA ALA 95 40.025 10.091 45.996 1.00 1.00 ATOM 81 CA ASN 96 41.961 13.337 46.159 1.00 1.00 ATOM 82 CA GLU 97 41.583 14.444 42.516 1.00 1.00 ATOM 83 CA THR 98 39.692 17.676 42.773 1.00 1.00 ATOM 84 CA ARG 99 39.149 17.960 39.039 1.00 1.00 ATOM 85 CA THR 100 37.357 14.626 38.882 1.00 1.00 ATOM 86 CA LYS 101 35.244 15.320 41.984 1.00 1.00 ATOM 87 CA ALA 102 34.302 18.706 40.635 1.00 1.00 ATOM 88 CA HIS 103 33.351 17.406 37.168 1.00 1.00 ATOM 89 CA GLU 104 31.173 14.753 38.773 1.00 1.00 ATOM 90 CA ALA 105 29.527 17.403 40.952 1.00 1.00 ATOM 91 CA ILE 106 28.899 19.615 37.961 1.00 1.00 ATOM 92 CA PHE 107 27.357 16.692 36.141 1.00 1.00 ATOM 93 CA ALA 108 25.144 15.872 39.123 1.00 1.00 ATOM 94 CA VAL 109 23.955 19.481 39.100 1.00 1.00 ATOM 95 CA GLU 110 23.293 19.305 35.343 1.00 1.00 ATOM 96 CA SER 111 21.264 16.084 35.706 1.00 1.00 ATOM 97 CA GLY 112 19.082 18.004 38.139 1.00 1.00 ATOM 98 CA ALA 113 20.243 17.052 41.665 1.00 1.00 ATOM 99 CA ASP 114 18.846 18.994 44.595 1.00 1.00 ATOM 100 CA GLU 115 21.700 17.828 46.822 1.00 1.00 ATOM 101 CA ILE 116 25.122 16.314 46.294 1.00 1.00 ATOM 102 CA ASP 117 26.828 14.041 48.863 1.00 1.00 ATOM 103 CA MET 118 30.575 14.217 48.102 1.00 1.00 ATOM 104 CA VAL 119 33.152 11.912 49.664 1.00 1.00 ATOM 105 CA ILE 120 35.897 13.769 51.531 1.00 1.00 ATOM 106 CA ASN 121 39.513 12.745 50.662 1.00 1.00 ATOM 107 CA VAL 122 39.893 10.920 53.932 1.00 1.00 ATOM 108 CA GLY 123 42.939 8.888 52.952 1.00 1.00 ATOM 109 CA MET 124 44.763 12.131 52.101 1.00 1.00 ATOM 110 CA LEU 125 43.892 13.462 55.558 1.00 1.00 ATOM 111 CA LYS 126 45.130 10.205 57.146 1.00 1.00 ATOM 112 CA ALA 127 48.383 10.830 55.278 1.00 1.00 ATOM 113 CA LYS 128 48.620 14.329 56.837 1.00 1.00 ATOM 114 CA GLU 129 47.198 16.412 53.978 1.00 1.00 ATOM 115 CA TRP 130 44.486 18.695 55.394 1.00 1.00 ATOM 116 CA GLU 131 44.584 21.125 52.484 1.00 1.00 ATOM 117 CA TYR 132 43.268 18.884 49.718 1.00 1.00 ATOM 118 CA VAL 133 40.078 18.144 51.632 1.00 1.00 ATOM 119 CA TYR 134 39.507 21.837 52.202 1.00 1.00 ATOM 120 CA GLU 135 40.121 22.583 48.554 1.00 1.00 ATOM 121 CA ASP 136 37.965 19.689 47.306 1.00 1.00 ATOM 122 CA ILE 137 34.970 20.533 49.464 1.00 1.00 ATOM 123 CA ARG 138 35.309 24.248 48.715 1.00 1.00 ATOM 124 CA SER 139 35.349 23.676 44.954 1.00 1.00 ATOM 125 CA VAL 140 32.284 21.442 45.098 1.00 1.00 ATOM 126 CA VAL 141 30.451 23.875 47.405 1.00 1.00 ATOM 127 CA GLU 142 31.100 26.784 45.061 1.00 1.00 ATOM 128 CA SER 143 29.495 24.842 42.175 1.00 1.00 ATOM 129 CA VAL 144 26.564 23.674 44.318 1.00 1.00 ATOM 130 CA LYS 145 25.850 27.063 45.844 1.00 1.00 ATOM 133 CA GLY 146 21.068 26.360 44.674 1.00 1.00 ATOM 134 CA LYS 147 22.137 22.779 45.473 1.00 1.00 ATOM 135 CA VAL 148 23.050 21.671 49.014 1.00 1.00 ATOM 136 CA VAL 149 26.396 19.941 49.598 1.00 1.00 ATOM 137 CA LYS 150 26.745 17.071 52.052 1.00 1.00 ATOM 138 CA VAL 151 30.255 15.835 52.866 1.00 1.00 ATOM 139 CA ILE 152 30.848 12.191 53.669 1.00 1.00 ATOM 140 CA ILE 153 33.921 11.856 55.927 1.00 1.00 ATOM 141 CA GLU 154 33.976 8.017 56.199 1.00 1.00 ATOM 142 CA THR 155 34.258 7.711 59.983 1.00 1.00 ATOM 143 CA CYS 156 34.767 3.960 59.771 1.00 1.00 ATOM 144 CA TYR 157 37.971 4.391 57.841 1.00 1.00 ATOM 145 CA LEU 158 39.226 7.466 59.727 1.00 1.00 ATOM 146 CA ASP 159 38.578 5.538 62.991 1.00 1.00 ATOM 147 CA THR 160 40.396 7.842 65.451 1.00 1.00 ATOM 148 CA GLU 161 38.340 10.485 67.182 1.00 1.00 ATOM 149 CA GLU 162 40.824 13.235 66.437 1.00 1.00 ATOM 151 CA LYS 163 36.865 12.358 62.757 1.00 1.00 ATOM 152 CA ILE 164 36.840 15.774 64.411 1.00 1.00 ATOM 153 CA ALA 165 39.434 17.150 62.014 1.00 1.00 ATOM 154 CA ALA 166 37.657 15.975 58.861 1.00 1.00 ATOM 155 CA CYS 167 34.408 17.394 60.235 1.00 1.00 ATOM 156 CA VAL 168 36.097 20.732 61.003 1.00 1.00 ATOM 157 CA ILE 169 37.769 21.052 57.612 1.00 1.00 ATOM 158 CA SER 170 34.531 20.181 55.860 1.00 1.00 ATOM 159 CA LYS 171 32.616 22.786 57.822 1.00 1.00 ATOM 160 CA LEU 172 35.241 25.467 57.191 1.00 1.00 ATOM 161 CA ALA 173 35.185 24.634 53.482 1.00 1.00 ATOM 162 CA GLY 174 31.415 25.151 53.350 1.00 1.00 ATOM 163 CA ALA 175 29.693 21.823 53.918 1.00 1.00 ATOM 164 CA HIS 176 25.923 22.216 54.381 1.00 1.00 ATOM 165 CA PHE 177 25.792 18.783 56.049 1.00 1.00 ATOM 166 CA VAL 178 28.384 16.329 57.353 1.00 1.00 ATOM 167 CA LYS 179 27.613 12.654 56.783 1.00 1.00 ATOM 168 CA THR 180 29.235 9.740 58.549 1.00 1.00 ATOM 169 CA SER 181 29.772 7.201 55.857 1.00 1.00 ATOM 170 CA THR 182 29.335 5.872 52.364 1.00 1.00 ATOM 171 CA GLY 183 27.701 2.620 53.480 1.00 1.00 ATOM 172 CA PHE 184 30.305 0.816 51.334 1.00 1.00 ATOM 173 CA GLY 185 33.033 0.078 53.887 1.00 1.00 ATOM 174 CA THR 186 33.032 -2.351 56.817 1.00 1.00 ATOM 175 CA GLY 187 32.174 0.175 59.582 1.00 1.00 ATOM 176 CA GLY 188 29.676 2.974 58.957 1.00 1.00 ATOM 177 CA ALA 189 27.470 4.971 61.348 1.00 1.00 ATOM 178 CA THR 190 27.814 4.343 65.049 1.00 1.00 ATOM 179 CA ALA 191 26.315 6.319 67.906 1.00 1.00 ATOM 180 CA GLU 192 29.877 7.251 69.048 1.00 1.00 ATOM 181 CA ASP 193 30.885 8.623 65.671 1.00 1.00 ATOM 182 CA VAL 194 27.595 10.488 65.366 1.00 1.00 ATOM 183 CA HIS 195 28.103 12.102 68.755 1.00 1.00 ATOM 184 CA LEU 196 31.657 13.160 67.836 1.00 1.00 ATOM 185 CA MET 197 30.495 14.793 64.613 1.00 1.00 ATOM 186 CA LYS 198 27.554 16.534 66.244 1.00 1.00 ATOM 187 CA TRP 199 29.857 17.799 69.002 1.00 1.00 ATOM 188 CA ILE 200 32.032 19.402 66.324 1.00 1.00 ATOM 189 CA VAL 201 28.977 21.203 64.906 1.00 1.00 ATOM 195 CA GLY 202 24.323 24.234 64.130 1.00 1.00 ATOM 196 CA ASP 203 22.179 26.759 62.282 1.00 1.00 ATOM 197 CA GLU 204 24.080 26.223 58.992 1.00 1.00 ATOM 198 CA MET 205 25.377 22.645 59.147 1.00 1.00 ATOM 199 CA GLY 206 23.261 19.501 59.405 1.00 1.00 ATOM 200 CA VAL 207 24.157 15.935 60.286 1.00 1.00 ATOM 201 CA LYS 208 23.455 12.586 58.637 1.00 1.00 ATOM 202 CA ALA 209 24.160 9.143 60.128 1.00 1.00 ATOM 203 CA SER 210 24.458 6.786 57.187 1.00 1.00 ATOM 204 CA GLY 211 25.339 3.191 56.517 1.00 1.00 ATOM 205 CA GLY 212 23.994 0.245 58.399 1.00 1.00 ATOM 206 CA ILE 213 21.062 2.099 60.020 1.00 1.00 ATOM 207 CA ARG 214 18.425 -0.611 59.781 1.00 1.00 ATOM 208 CA THR 215 15.992 -0.612 62.712 1.00 1.00 ATOM 209 CA PHE 216 13.622 1.786 64.362 1.00 1.00 ATOM 210 CA GLU 217 15.579 1.437 67.591 1.00 1.00 ATOM 211 CA ASP 218 18.821 2.470 65.775 1.00 1.00 ATOM 212 CA ALA 219 17.094 5.584 64.425 1.00 1.00 ATOM 213 CA VAL 220 15.810 6.395 67.869 1.00 1.00 ATOM 226 CA LYS 221 13.379 21.118 67.687 1.00 1.00 ATOM 227 CA MET 222 16.743 21.222 65.925 1.00 1.00 ATOM 228 CA ILE 223 16.522 18.104 63.760 1.00 1.00 ATOM 229 CA MET 224 14.415 19.254 60.819 1.00 1.00 ATOM 230 CA TYR 225 15.096 18.362 57.181 1.00 1.00 ATOM 231 CA GLY 226 17.626 21.143 56.767 1.00 1.00 ATOM 232 CA ALA 227 19.614 19.933 59.729 1.00 1.00 ATOM 233 CA ASP 228 19.164 16.163 59.925 1.00 1.00 ATOM 234 CA ARG 229 18.645 13.209 57.611 1.00 1.00 ATOM 235 CA ILE 230 18.863 9.427 57.842 1.00 1.00 ATOM 236 CA GLY 231 20.891 8.057 54.939 1.00 1.00 ATOM 237 CA THR 232 19.452 4.586 54.525 1.00 1.00 ATOM 238 CA SER 233 18.591 1.884 52.018 1.00 1.00 ATOM 239 CA SER 234 17.114 -0.625 54.451 1.00 1.00 ATOM 240 CA GLY 235 15.486 1.334 57.322 1.00 1.00 ATOM 241 CA VAL 236 12.035 2.290 56.032 1.00 1.00 ATOM 242 CA LYS 237 10.335 -1.070 56.446 1.00 1.00 ATOM 243 CA ILE 238 11.367 -1.153 60.143 1.00 1.00 ATOM 244 CA VAL 239 10.050 2.353 60.730 1.00 1.00 ATOM 245 CA GLN 240 6.744 1.531 59.063 1.00 1.00 ATOM 246 CA GLY 241 6.414 -1.680 61.059 1.00 1.00 ATOM 247 CA GLY 242 7.010 0.319 64.268 1.00 1.00 ATOM 248 CA GLU 243 4.192 2.611 63.158 1.00 1.00 ATOM 249 CA GLU 244 1.756 -0.199 62.432 1.00 1.00 ATOM 250 CA ARG 245 2.217 -0.437 58.674 1.00 1.00 TER END ################################ # # # END # # # ################################