From mailer@bialko.llnl.gov Mon Aug 19 22:16:08 2002 Date: Mon, 19 Aug 2002 22:16:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 21:47:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_610653_28476 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195SS007_1 Current information on models submitted in prediction T0195SS007 MODEL_INDEX PIN CODE DATE E-mail T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 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: 299 # Number of residues with nonzero confidence: 299 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0195 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-13503.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-2389//target-align-2389.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 25.436 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-13503.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc84.9509/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Mon Aug 19 15:49:03 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-2389//target-align-2389.a2m METHOD METHOD guide seq name: seed-seqs-13503.a2m(1), 299 bases, 11E74B5B checksum. METHOD ###end 0 MODEL 1 M C 0.585 K C 0.453 V H 0.39 V H 0.453 K H 0.443 E H 0.462 F H 0.394 S H 0.357 V E 0.342 C C 0.39 G C 0.547 G C 0.583 R C 0.442 L E 0.447 I E 0.497 K E 0.554 L E 0.557 S E 0.52 H E 0.482 N C 0.392 S C 0.45 N C 0.428 S C 0.415 T C 0.412 K C 0.535 T C 0.524 S C 0.457 M E 0.441 N E 0.582 V E 0.661 N E 0.698 I E 0.73 Y E 0.694 L E 0.493 P C 0.685 K C 0.713 H C 0.675 Y C 0.632 Y C 0.576 A C 0.492 Q C 0.489 D C 0.523 F C 0.574 P C 0.612 R C 0.633 N C 0.671 K C 0.692 R C 0.637 I C 0.602 P C 0.563 T E 0.592 V E 0.632 F E 0.647 Y E 0.61 L E 0.451 S C 0.51 G C 0.665 L C 0.609 T C 0.633 C C 0.658 T C 0.684 P H 0.452 D H 0.511 N H 0.531 A H 0.575 S H 0.585 E H 0.6 K H 0.636 A H 0.62 F H 0.462 W H 0.595 Q H 0.664 F H 0.684 Q H 0.676 A H 0.664 D H 0.621 K H 0.509 Y C 0.571 G C 0.607 F E 0.579 A E 0.746 I E 0.787 V E 0.741 F E 0.556 P C 0.633 D C 0.762 T C 0.765 S C 0.817 P C 0.789 R C 0.708 G C 0.693 D C 0.617 E C 0.578 V C 0.549 A C 0.558 N C 0.6 D C 0.652 P C 0.664 E C 0.621 G C 0.599 S C 0.552 W C 0.479 D C 0.518 F C 0.534 G C 0.62 Q C 0.639 G C 0.643 A C 0.55 G C 0.472 F E 0.508 Y E 0.574 L E 0.494 N C 0.5 A C 0.563 T C 0.576 Q C 0.578 E C 0.597 P C 0.53 Y H 0.441 A H 0.466 Q H 0.47 H C 0.527 Y C 0.428 Q H 0.471 M H 0.559 Y H 0.62 D H 0.645 Y H 0.661 I H 0.655 H H 0.677 K H 0.71 E H 0.698 L H 0.669 P H 0.683 Q H 0.712 T H 0.691 L H 0.672 D H 0.643 S H 0.595 H H 0.507 F C 0.499 N C 0.584 K C 0.562 N C 0.603 G C 0.596 D C 0.604 V C 0.547 K C 0.5 L C 0.5 D C 0.468 F C 0.436 L C 0.4 D C 0.411 N C 0.426 V E 0.396 A E 0.506 I E 0.534 T E 0.472 G C 0.519 H C 0.544 S C 0.519 M C 0.474 G C 0.523 G H 0.508 Y H 0.547 G H 0.577 A H 0.598 I H 0.606 C H 0.608 G H 0.612 Y H 0.609 L H 0.588 K H 0.514 G C 0.459 Y C 0.544 S C 0.649 G C 0.486 K H 0.505 R H 0.522 Y H 0.493 K H 0.491 S H 0.463 C H 0.47 S H 0.438 A H 0.384 F C 0.41 A C 0.554 P C 0.591 I C 0.53 V C 0.538 N C 0.628 P C 0.535 S C 0.548 N C 0.544 V C 0.601 P C 0.571 W C 0.486 G C 0.477 Q H 0.528 K H 0.552 A H 0.591 F H 0.577 K H 0.575 G H 0.572 Y H 0.554 L H 0.502 G H 0.453 E H 0.477 E H 0.514 K H 0.622 A H 0.625 Q H 0.63 W H 0.65 E H 0.646 A H 0.624 Y H 0.533 D C 0.473 P H 0.668 C H 0.676 L H 0.678 L H 0.666 I H 0.662 K H 0.64 N H 0.593 I H 0.5 R C 0.482 H C 0.582 V C 0.607 G C 0.636 D C 0.61 D C 0.543 R C 0.365 I E 0.502 L E 0.538 I E 0.472 H C 0.421 V C 0.544 G C 0.701 D C 0.692 S C 0.636 D C 0.562 P C 0.483 F C 0.443 L C 0.46 E C 0.455 E C 0.47 H C 0.51 L C 0.465 K C 0.464 P H 0.626 E H 0.707 L H 0.723 L H 0.739 L H 0.758 E H 0.752 A H 0.74 V H 0.716 K H 0.701 A H 0.686 T H 0.632 S H 0.646 W H 0.53 Q C 0.646 D C 0.636 Y C 0.594 V E 0.47 E E 0.553 I E 0.557 K E 0.53 K C 0.41 V C 0.588 H C 0.655 G C 0.705 F C 0.616 D C 0.655 H C 0.516 S C 0.409 Y H 0.468 Y H 0.485 F H 0.512 V H 0.554 S H 0.619 T H 0.65 F H 0.649 V H 0.675 P H 0.706 E H 0.723 H H 0.726 A H 0.733 E H 0.727 F H 0.721 H H 0.693 A H 0.712 R H 0.701 N H 0.678 L H 0.634 G H 0.464 L C 0.447 I C 0.647 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:33:08 2002 Date: Mon, 26 Aug 2002 12:33:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 26 12:04:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_195034_34749 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS007_1 Current information on models submitted in prediction T0195TS007 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 casp5@bialko.llnl.gov T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1DQY_A # Loading PARENT structure: 1dqy (chain: A) # Number of residues in PARENT structure: 282 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue P 44 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue D 150 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue W 197 # IMPORTANT NOTE! Not complete main chain atoms for residue G 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 199 # IMPORTANT NOTE! Not complete main chain atoms for residue K 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 216 # IMPORTANT NOTE! Not complete main chain atoms for residue D 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue C 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue P 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 281 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue F 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue N 295 # IMPORTANT NOTE! Not complete main chain atoms for residue L 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue L 298 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 236 # Total number of atoms in model: 236 # Number of atoms with 1.0 occupancy: 236 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 236 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1DQY_A ATOM 21 CA LYS 36 84.914 31.939 11.973 1.00 1.00 ATOM 22 CA HIS 37 84.696 28.300 12.985 1.00 1.00 ATOM 23 CA TYR 38 84.406 27.506 16.683 1.00 1.00 ATOM 24 CA TYR 39 86.775 24.764 17.837 1.00 1.00 ATOM 25 CA ALA 40 86.852 23.010 21.205 1.00 1.00 ATOM 26 CA GLN 41 90.480 22.256 21.947 1.00 1.00 ATOM 27 CA ASP 42 92.443 20.415 24.612 1.00 1.00 ATOM 28 CA PHE 43 96.205 20.641 24.326 1.00 1.00 ATOM 29 CA PRO 44 98.224 17.622 25.342 1.00 1.00 ATOM 30 CA ARG 48 100.854 17.021 22.698 1.00 1.00 ATOM 31 CA ILE 49 102.018 17.854 19.136 1.00 1.00 ATOM 32 CA PRO 50 99.787 15.176 17.610 1.00 1.00 ATOM 33 CA THR 51 96.032 15.356 17.888 1.00 1.00 ATOM 34 CA VAL 52 92.854 13.362 17.556 1.00 1.00 ATOM 35 CA PHE 53 90.355 15.158 15.339 1.00 1.00 ATOM 36 CA TYR 54 86.947 14.231 16.732 1.00 1.00 ATOM 37 CA LEU 55 84.372 14.766 13.996 1.00 1.00 ATOM 38 CA SER 56 80.701 15.247 14.809 1.00 1.00 ATOM 39 CA GLY 57 77.555 13.560 13.557 1.00 1.00 ATOM 40 CA LEU 58 74.907 14.598 11.029 1.00 1.00 ATOM 41 CA THR 59 73.144 16.963 13.442 1.00 1.00 ATOM 42 CA CYS 60 76.318 18.762 14.526 1.00 1.00 ATOM 43 CA THR 61 75.403 21.851 16.572 1.00 1.00 ATOM 44 CA PRO 62 76.983 25.304 16.456 1.00 1.00 ATOM 45 CA ASP 63 77.627 25.525 20.187 1.00 1.00 ATOM 46 CA ASN 64 79.364 22.274 21.129 1.00 1.00 ATOM 47 CA ALA 65 80.672 19.197 19.333 1.00 1.00 ATOM 48 CA SER 66 78.569 16.067 19.877 1.00 1.00 ATOM 49 CA GLU 67 81.525 14.259 21.425 1.00 1.00 ATOM 50 CA LYS 68 81.717 16.766 24.284 1.00 1.00 ATOM 53 CA ALA 69 80.924 11.654 26.102 1.00 1.00 ATOM 54 CA PHE 70 83.893 12.270 28.420 1.00 1.00 ATOM 55 CA TRP 71 86.165 12.213 25.354 1.00 1.00 ATOM 56 CA GLN 72 88.297 15.113 26.574 1.00 1.00 ATOM 57 CA PHE 73 88.759 13.578 30.022 1.00 1.00 ATOM 58 CA GLN 74 89.481 10.175 28.504 1.00 1.00 ATOM 59 CA ALA 75 92.280 11.634 26.396 1.00 1.00 ATOM 60 CA ASP 76 93.543 14.045 29.046 1.00 1.00 ATOM 61 CA LYS 77 97.250 13.346 29.623 1.00 1.00 ATOM 62 CA TYR 78 97.176 10.791 26.800 1.00 1.00 ATOM 63 CA GLY 79 100.062 12.596 25.136 1.00 1.00 ATOM 64 CA PHE 80 97.651 13.662 22.409 1.00 1.00 ATOM 65 CA ALA 81 95.796 16.922 21.867 1.00 1.00 ATOM 66 CA ILE 82 92.077 16.681 21.169 1.00 1.00 ATOM 67 CA VAL 83 90.401 18.757 18.490 1.00 1.00 ATOM 68 CA PHE 84 86.636 19.063 18.322 1.00 1.00 ATOM 69 CA PRO 85 85.522 21.332 15.495 1.00 1.00 ATOM 70 CA ASP 86 82.089 22.824 16.131 1.00 1.00 ATOM 71 CA THR 87 79.354 23.068 13.523 1.00 1.00 ATOM 72 CA SER 88 78.960 21.731 10.014 1.00 1.00 ATOM 73 CA GLY 107 75.477 20.235 10.243 1.00 1.00 ATOM 74 CA ALA 108 74.981 17.716 7.403 1.00 1.00 ATOM 75 CA GLY 109 78.257 18.885 5.845 1.00 1.00 ATOM 76 CA PHE 110 79.914 15.459 5.708 1.00 1.00 ATOM 77 CA TYR 111 83.039 17.509 6.429 1.00 1.00 ATOM 78 CA LEU 112 83.578 17.898 2.719 1.00 1.00 ATOM 79 CA ASN 113 83.983 20.792 0.298 1.00 1.00 ATOM 80 CA ALA 114 80.629 21.482 -1.330 1.00 1.00 ATOM 81 CA THR 115 80.063 22.555 -4.924 1.00 1.00 ATOM 82 CA GLN 116 77.765 25.378 -3.827 1.00 1.00 ATOM 83 CA GLU 117 75.646 26.798 -0.990 1.00 1.00 ATOM 84 CA PRO 118 72.956 24.299 0.006 1.00 1.00 ATOM 85 CA TYR 119 70.142 25.082 -2.413 1.00 1.00 ATOM 86 CA ALA 120 66.917 25.076 -0.381 1.00 1.00 ATOM 87 CA GLN 121 67.626 26.081 3.221 1.00 1.00 ATOM 88 CA HIS 122 69.023 29.547 2.551 1.00 1.00 ATOM 89 CA TYR 123 72.660 28.792 3.338 1.00 1.00 ATOM 90 CA GLN 124 74.467 31.952 2.208 1.00 1.00 ATOM 91 CA MET 125 77.936 30.454 1.828 1.00 1.00 ATOM 92 CA TYR 126 79.522 27.255 0.592 1.00 1.00 ATOM 93 CA ASP 127 80.614 24.563 3.040 1.00 1.00 ATOM 94 CA TYR 128 84.366 24.024 2.656 1.00 1.00 ATOM 95 CA ILE 129 85.022 21.747 5.601 1.00 1.00 ATOM 96 CA HIS 130 87.687 19.658 3.928 1.00 1.00 ATOM 97 CA LYS 131 89.619 22.851 3.209 1.00 1.00 ATOM 98 CA GLU 132 89.044 23.924 6.817 1.00 1.00 ATOM 99 CA LEU 133 90.116 20.626 8.382 1.00 1.00 ATOM 100 CA PRO 134 93.120 20.001 6.136 1.00 1.00 ATOM 101 CA GLN 135 94.455 23.511 5.689 1.00 1.00 ATOM 102 CA THR 136 92.918 26.409 7.606 1.00 1.00 ATOM 103 CA LEU 137 92.491 24.825 11.035 1.00 1.00 ATOM 104 CA ASP 138 95.767 22.883 11.133 1.00 1.00 ATOM 105 CA SER 139 97.641 25.993 9.979 1.00 1.00 ATOM 106 CA HIS 140 96.032 27.992 12.786 1.00 1.00 ATOM 107 CA PHE 141 96.733 25.365 15.461 1.00 1.00 ATOM 108 CA ASN 142 100.318 24.948 14.312 1.00 1.00 ATOM 109 CA LYS 143 101.094 28.669 14.341 1.00 1.00 ATOM 110 CA ASN 144 99.313 29.371 17.620 1.00 1.00 ATOM 111 CA LYS 148 99.502 26.117 19.589 1.00 1.00 ATOM 112 CA LEU 149 102.330 24.142 18.057 1.00 1.00 ATOM 113 CA ASP 150 100.026 21.304 17.044 1.00 1.00 ATOM 114 CA PHE 151 101.617 19.406 14.164 1.00 1.00 ATOM 115 CA LEU 152 99.649 19.471 10.883 1.00 1.00 ATOM 116 CA ASP 153 100.915 15.935 10.270 1.00 1.00 ATOM 117 CA ASN 154 100.793 12.609 12.097 1.00 1.00 ATOM 118 CA VAL 155 97.282 12.955 13.479 1.00 1.00 ATOM 119 CA ALA 156 94.168 10.821 13.718 1.00 1.00 ATOM 120 CA ILE 157 90.738 11.563 12.272 1.00 1.00 ATOM 121 CA THR 158 87.854 9.950 14.132 1.00 1.00 ATOM 122 CA GLY 159 84.287 10.190 12.905 1.00 1.00 ATOM 123 CA HIS 160 80.971 8.539 13.616 1.00 1.00 ATOM 124 CA SER 161 77.908 7.995 11.470 1.00 1.00 ATOM 125 CA MET 162 77.987 10.984 9.078 1.00 1.00 ATOM 126 CA GLY 163 81.685 11.661 9.684 1.00 1.00 ATOM 127 CA GLY 164 82.686 8.003 9.758 1.00 1.00 ATOM 128 CA TYR 165 83.254 8.075 6.022 1.00 1.00 ATOM 129 CA GLY 166 84.655 11.600 6.310 1.00 1.00 ATOM 130 CA ALA 167 87.480 10.400 8.549 1.00 1.00 ATOM 131 CA ILE 168 88.484 7.669 6.097 1.00 1.00 ATOM 132 CA CYS 169 88.305 10.113 3.179 1.00 1.00 ATOM 133 CA GLY 170 90.474 12.631 5.008 1.00 1.00 ATOM 134 CA TYR 171 93.045 9.891 5.596 1.00 1.00 ATOM 135 CA LEU 172 92.679 8.611 2.036 1.00 1.00 ATOM 136 CA LYS 173 93.541 11.983 0.497 1.00 1.00 ATOM 137 CA GLY 174 95.689 13.421 3.273 1.00 1.00 ATOM 138 CA GLY 177 97.777 10.471 4.567 1.00 1.00 ATOM 139 CA LYS 178 100.482 12.771 5.939 1.00 1.00 ATOM 140 CA ARG 179 98.000 14.614 8.117 1.00 1.00 ATOM 141 CA TYR 180 96.076 11.464 9.011 1.00 1.00 ATOM 142 CA LYS 181 98.082 8.213 9.207 1.00 1.00 ATOM 143 CA SER 182 95.232 7.061 11.448 1.00 1.00 ATOM 144 CA CYS 183 91.482 7.123 10.817 1.00 1.00 ATOM 145 CA SER 184 88.530 5.617 12.647 1.00 1.00 ATOM 146 CA ALA 185 84.999 5.193 11.358 1.00 1.00 ATOM 147 CA PHE 186 82.276 4.424 13.882 1.00 1.00 ATOM 148 CA ALA 187 79.006 3.361 12.248 1.00 1.00 ATOM 149 CA PRO 188 80.000 5.225 9.105 1.00 1.00 ATOM 150 CA ILE 189 78.411 5.181 5.655 1.00 1.00 ATOM 151 CA VAL 190 81.312 3.648 3.749 1.00 1.00 ATOM 152 CA ASN 191 79.896 3.328 0.217 1.00 1.00 ATOM 153 CA PRO 192 77.989 6.642 -0.258 1.00 1.00 ATOM 157 CA SER 193 70.555 3.415 -2.174 1.00 1.00 ATOM 158 CA ASN 194 73.227 5.426 -0.384 1.00 1.00 ATOM 159 CA VAL 195 73.053 8.661 -2.373 1.00 1.00 ATOM 160 CA PRO 196 69.304 8.734 -1.758 1.00 1.00 ATOM 161 CA TRP 197 69.538 7.785 1.926 1.00 1.00 ATOM 162 CA GLY 198 72.258 10.367 2.472 1.00 1.00 ATOM 163 CA GLN 199 70.185 12.997 0.698 1.00 1.00 ATOM 164 CA LYS 200 67.232 12.076 2.899 1.00 1.00 ATOM 165 CA ALA 201 69.286 12.320 6.085 1.00 1.00 ATOM 175 CA PHE 202 72.987 17.679 -4.703 1.00 1.00 ATOM 176 CA LYS 203 74.563 21.001 -3.722 1.00 1.00 ATOM 177 CA GLY 204 77.249 19.002 -1.928 1.00 1.00 ATOM 178 CA TYR 205 78.431 16.418 -4.464 1.00 1.00 ATOM 179 CA LEU 206 75.983 17.045 -7.315 1.00 1.00 ATOM 180 CA GLY 207 73.667 14.366 -8.751 1.00 1.00 ATOM 181 CA GLU 208 74.622 10.804 -7.794 1.00 1.00 ATOM 182 CA GLU 209 76.231 10.410 -11.226 1.00 1.00 ATOM 183 CA LYS 210 78.715 13.194 -10.424 1.00 1.00 ATOM 184 CA ALA 211 82.293 11.977 -9.807 1.00 1.00 ATOM 185 CA GLN 212 82.277 13.742 -6.434 1.00 1.00 ATOM 186 CA TRP 213 80.242 10.850 -5.027 1.00 1.00 ATOM 187 CA GLU 214 82.897 8.255 -5.872 1.00 1.00 ATOM 188 CA ALA 215 85.708 10.656 -4.942 1.00 1.00 ATOM 189 CA TYR 216 84.279 10.794 -1.432 1.00 1.00 ATOM 190 CA ASP 217 83.386 7.106 -1.232 1.00 1.00 ATOM 191 CA PRO 218 85.588 5.213 1.286 1.00 1.00 ATOM 192 CA CYS 219 84.858 1.892 -0.437 1.00 1.00 ATOM 193 CA LEU 220 85.974 3.300 -3.792 1.00 1.00 ATOM 194 CA LEU 221 88.999 4.903 -2.140 1.00 1.00 ATOM 195 CA ILE 222 90.171 1.727 -0.389 1.00 1.00 ATOM 196 CA LYS 223 93.153 1.492 -2.775 1.00 1.00 ATOM 197 CA ASN 224 94.368 4.781 -1.270 1.00 1.00 ATOM 198 CA ILE 225 93.989 3.548 2.309 1.00 1.00 ATOM 199 CA ARG 226 95.913 0.405 1.394 1.00 1.00 ATOM 200 CA HIS 227 98.646 2.227 -0.520 1.00 1.00 ATOM 201 CA VAL 228 99.230 4.706 2.308 1.00 1.00 ATOM 202 CA ASP 230 99.082 1.887 4.866 1.00 1.00 ATOM 203 CA ASP 231 96.599 3.977 6.815 1.00 1.00 ATOM 204 CA ARG 232 95.837 2.545 10.239 1.00 1.00 ATOM 205 CA ILE 233 92.056 2.237 10.165 1.00 1.00 ATOM 206 CA LEU 234 89.706 1.450 13.014 1.00 1.00 ATOM 207 CA ILE 235 86.286 0.457 11.738 1.00 1.00 ATOM 208 CA HIS 236 83.374 -0.114 14.066 1.00 1.00 ATOM 209 CA VAL 237 79.731 -0.765 13.376 1.00 1.00 ATOM 210 CA GLY 238 76.965 -1.674 15.768 1.00 1.00 ATOM 211 CA ASP 239 73.547 -3.057 14.889 1.00 1.00 ATOM 212 CA SER 240 69.939 -2.655 15.930 1.00 1.00 ATOM 213 CA ASP 241 67.204 -0.041 15.926 1.00 1.00 ATOM 214 CA PRO 242 66.247 2.410 17.094 1.00 1.00 ATOM 225 CA PHE 243 65.549 0.423 9.682 1.00 1.00 ATOM 226 CA LEU 244 66.693 -0.142 6.111 1.00 1.00 ATOM 227 CA GLU 245 69.401 2.491 6.568 1.00 1.00 ATOM 228 CA GLU 246 70.678 0.877 9.766 1.00 1.00 ATOM 229 CA HIS 247 70.717 -2.539 8.135 1.00 1.00 ATOM 230 CA LEU 248 72.465 -1.203 5.054 1.00 1.00 ATOM 231 CA LYS 249 75.001 0.552 7.284 1.00 1.00 ATOM 232 CA PRO 250 76.116 -2.722 8.854 1.00 1.00 ATOM 233 CA GLU 251 76.126 -4.674 5.582 1.00 1.00 ATOM 234 CA LEU 252 78.104 -1.927 3.861 1.00 1.00 ATOM 235 CA LEU 253 80.595 -1.867 6.727 1.00 1.00 ATOM 236 CA LEU 254 80.971 -5.643 6.374 1.00 1.00 ATOM 237 CA GLU 255 81.470 -5.261 2.621 1.00 1.00 ATOM 238 CA ALA 256 84.009 -2.523 3.315 1.00 1.00 ATOM 239 CA VAL 257 85.993 -4.882 5.552 1.00 1.00 ATOM 240 CA LYS 258 85.820 -7.630 2.918 1.00 1.00 ATOM 241 CA ALA 259 86.840 -5.267 0.131 1.00 1.00 ATOM 242 CA THR 260 89.654 -3.751 2.201 1.00 1.00 ATOM 243 CA SER 261 90.998 -7.268 2.757 1.00 1.00 ATOM 244 CA TRP 262 90.456 -8.206 -0.889 1.00 1.00 ATOM 245 CA GLN 263 92.380 -5.100 -1.980 1.00 1.00 ATOM 246 CA ASP 264 95.411 -5.917 0.157 1.00 1.00 ATOM 247 CA TYR 265 94.570 -3.976 3.307 1.00 1.00 ATOM 250 CA VAL 266 92.815 -2.282 10.067 1.00 1.00 ATOM 251 CA GLU 267 90.913 -3.141 13.209 1.00 1.00 ATOM 252 CA ILE 268 87.373 -4.267 12.463 1.00 1.00 ATOM 253 CA LYS 269 84.981 -4.255 15.394 1.00 1.00 ATOM 254 CA LYS 270 81.561 -5.751 14.730 1.00 1.00 ATOM 255 CA VAL 271 80.428 -6.872 18.200 1.00 1.00 ATOM 256 CA HIS 272 76.906 -8.349 17.915 1.00 1.00 ATOM 257 CA GLY 273 75.793 -6.341 20.957 1.00 1.00 ATOM 258 CA PHE 274 77.392 -3.125 19.766 1.00 1.00 ATOM 259 CA ASP 275 74.942 -0.316 19.056 1.00 1.00 ATOM 260 CA HIS 276 74.928 2.901 17.034 1.00 1.00 ATOM 261 CA SER 277 74.971 5.058 20.164 1.00 1.00 ATOM 262 CA TYR 278 77.261 7.539 21.890 1.00 1.00 ATOM 263 CA TYR 279 77.942 5.131 24.750 1.00 1.00 ATOM 264 CA PHE 280 79.344 2.546 22.345 1.00 1.00 ATOM 265 CA VAL 281 81.037 5.095 20.097 1.00 1.00 ATOM 266 CA SER 282 82.708 6.456 23.230 1.00 1.00 ATOM 267 CA THR 283 83.657 2.916 24.236 1.00 1.00 ATOM 268 CA PHE 284 85.327 2.603 20.831 1.00 1.00 ATOM 269 CA VAL 285 87.083 5.958 21.249 1.00 1.00 ATOM 270 CA PRO 286 88.529 4.748 24.546 1.00 1.00 ATOM 271 CA GLU 287 89.388 1.319 23.127 1.00 1.00 ATOM 272 CA HIS 288 91.299 2.884 20.244 1.00 1.00 ATOM 273 CA ALA 289 93.297 5.233 22.481 1.00 1.00 ATOM 274 CA GLU 290 96.155 2.782 22.997 1.00 1.00 ATOM 275 CA PHE 291 96.077 2.055 19.254 1.00 1.00 ATOM 276 CA HIS 292 96.330 5.744 18.350 1.00 1.00 ATOM 277 CA ALA 293 99.070 6.430 20.894 1.00 1.00 ATOM 278 CA ARG 294 101.151 3.561 19.546 1.00 1.00 ATOM 279 CA ASN 295 100.625 4.568 15.920 1.00 1.00 ATOM 280 CA LEU 296 101.033 8.329 16.418 1.00 1.00 ATOM 281 CA GLY 297 103.525 8.483 19.299 1.00 1.00 ATOM 282 CA LEU 298 105.017 4.999 19.218 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:33:19 2002 Date: Mon, 26 Aug 2002 12:33:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 26 12:04:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_198174_34750 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS007_2 Current information on models submitted in prediction T0195TS007 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_2 PIN_198174_34750 6269-7633-6117 08/26/02 12:04:59 casp5@bialko.llnl.gov T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_2 PIN_198174_34750 6269-7633-6117 08/26/02 12:04:59 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 casp5@bialko.llnl.gov T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1F0N_A # Loading PARENT structure: 1f0n (chain: A) # Number of residues in PARENT structure: 284 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 9 # IMPORTANT NOTE! Not complete main chain atoms for residue C 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue F 151 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 175 # IMPORTANT NOTE! Not complete main chain atoms for residue S 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue W 197 # IMPORTANT NOTE! Not complete main chain atoms for residue G 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 199 # IMPORTANT NOTE! Not complete main chain atoms for residue K 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 216 # IMPORTANT NOTE! Not complete main chain atoms for residue D 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue C 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue P 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 281 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue F 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue N 295 # IMPORTANT NOTE! Not complete main chain atoms for residue L 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue L 298 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 253 # Total number of atoms in model: 253 # Number of atoms with 1.0 occupancy: 253 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 253 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1F0N_A ATOM 2 CA SER 8 29.453 17.796 0.956 1.00 1.00 ATOM 3 CA VAL 9 29.504 15.376 3.806 1.00 1.00 ATOM 4 CA CYS 10 25.968 14.115 2.909 1.00 1.00 ATOM 5 CA GLY 11 25.547 13.737 -0.863 1.00 1.00 ATOM 6 CA GLY 12 28.753 11.949 -1.909 1.00 1.00 ATOM 7 CA ARG 13 28.662 8.687 -3.881 1.00 1.00 ATOM 8 CA LEU 14 29.755 6.587 -0.955 1.00 1.00 ATOM 9 CA ILE 15 28.749 2.953 -0.996 1.00 1.00 ATOM 10 CA LYS 16 28.479 0.293 1.627 1.00 1.00 ATOM 11 CA LEU 17 29.579 -2.865 -0.146 1.00 1.00 ATOM 12 CA SER 18 29.152 -6.473 0.917 1.00 1.00 ATOM 13 CA HIS 19 32.128 -8.188 -0.539 1.00 1.00 ATOM 14 CA ASN 20 32.201 -11.980 -0.208 1.00 1.00 ATOM 15 CA SER 21 35.402 -13.526 1.137 1.00 1.00 ATOM 16 CA ASN 22 35.747 -17.174 0.310 1.00 1.00 ATOM 17 CA SER 23 38.732 -17.501 2.612 1.00 1.00 ATOM 18 CA THR 24 37.002 -15.939 5.632 1.00 1.00 ATOM 19 CA LYS 25 33.551 -17.479 4.967 1.00 1.00 ATOM 20 CA THR 26 31.599 -14.304 5.219 1.00 1.00 ATOM 21 CA SER 27 30.854 -11.117 3.508 1.00 1.00 ATOM 22 CA MET 28 33.258 -8.340 4.335 1.00 1.00 ATOM 23 CA ASN 29 31.707 -4.874 4.522 1.00 1.00 ATOM 24 CA VAL 30 33.665 -2.287 2.439 1.00 1.00 ATOM 25 CA ASN 31 32.997 1.520 2.445 1.00 1.00 ATOM 26 CA ILE 32 33.752 2.732 -0.984 1.00 1.00 ATOM 27 CA TYR 33 33.948 5.879 -3.125 1.00 1.00 ATOM 28 CA LEU 34 34.948 5.646 -6.759 1.00 1.00 ATOM 29 CA PRO 35 37.734 7.838 -8.330 1.00 1.00 ATOM 30 CA LYS 36 36.130 6.882 -11.654 1.00 1.00 ATOM 31 CA HIS 37 36.599 3.925 -14.008 1.00 1.00 ATOM 32 CA ARG 48 40.171 2.634 -14.088 1.00 1.00 ATOM 33 CA ILE 49 41.040 4.948 -11.137 1.00 1.00 ATOM 34 CA PRO 50 43.869 3.885 -8.749 1.00 1.00 ATOM 35 CA THR 51 42.780 2.697 -5.297 1.00 1.00 ATOM 36 CA VAL 52 43.726 3.986 -1.889 1.00 1.00 ATOM 37 CA PHE 53 43.119 1.302 0.713 1.00 1.00 ATOM 38 CA TYR 54 42.516 2.937 4.084 1.00 1.00 ATOM 39 CA LEU 55 43.307 0.421 6.754 1.00 1.00 ATOM 40 CA SER 56 41.860 0.753 10.199 1.00 1.00 ATOM 41 CA GLY 57 43.496 0.735 13.567 1.00 1.00 ATOM 42 CA LEU 58 43.740 -1.981 16.210 1.00 1.00 ATOM 43 CA THR 59 40.194 -1.618 17.493 1.00 1.00 ATOM 44 CA CYS 60 38.574 -1.750 14.105 1.00 1.00 ATOM 45 CA THR 61 34.806 -1.941 14.507 1.00 1.00 ATOM 46 CA PRO 62 32.540 -4.234 12.434 1.00 1.00 ATOM 47 CA ASP 63 30.146 -1.469 11.287 1.00 1.00 ATOM 50 CA ASN 64 37.597 4.462 11.692 1.00 1.00 ATOM 51 CA ALA 65 38.718 6.604 8.820 1.00 1.00 ATOM 52 CA SER 66 35.076 7.265 7.932 1.00 1.00 ATOM 53 CA GLU 67 34.120 7.762 11.496 1.00 1.00 ATOM 54 CA LYS 68 36.761 10.213 12.437 1.00 1.00 ATOM 55 CA ALA 69 37.642 12.165 9.246 1.00 1.00 ATOM 56 CA PHE 70 35.928 13.578 6.167 1.00 1.00 ATOM 57 CA TRP 71 38.124 11.288 4.042 1.00 1.00 ATOM 58 CA GLN 72 35.544 10.635 1.331 1.00 1.00 ATOM 59 CA PHE 73 34.878 14.381 1.187 1.00 1.00 ATOM 60 CA GLN 74 38.593 15.263 0.927 1.00 1.00 ATOM 61 CA ALA 75 39.044 12.644 -1.784 1.00 1.00 ATOM 62 CA ASP 76 35.891 13.142 -3.927 1.00 1.00 ATOM 63 CA LYS 77 36.946 14.061 -7.460 1.00 1.00 ATOM 64 CA TYR 78 40.613 13.532 -6.704 1.00 1.00 ATOM 65 CA GLY 79 40.868 10.783 -9.306 1.00 1.00 ATOM 66 CA PHE 80 41.357 8.169 -6.587 1.00 1.00 ATOM 67 CA ALA 81 39.069 5.421 -5.351 1.00 1.00 ATOM 68 CA ILE 82 38.838 5.239 -1.594 1.00 1.00 ATOM 69 CA VAL 83 38.479 1.755 -0.186 1.00 1.00 ATOM 70 CA PHE 84 37.840 1.193 3.467 1.00 1.00 ATOM 71 CA PRO 85 37.553 -2.407 4.565 1.00 1.00 ATOM 72 CA ASP 86 35.392 -2.765 7.714 1.00 1.00 ATOM 73 CA THR 87 36.213 -5.186 10.595 1.00 1.00 ATOM 74 CA SER 88 39.296 -7.113 11.626 1.00 1.00 ATOM 75 CA PRO 89 39.957 -5.780 15.150 1.00 1.00 ATOM 76 CA ARG 90 43.488 -6.934 16.083 1.00 1.00 ATOM 77 CA GLY 109 44.019 -8.718 12.733 1.00 1.00 ATOM 78 CA PHE 110 47.062 -6.730 11.632 1.00 1.00 ATOM 79 CA TYR 111 45.418 -7.300 8.161 1.00 1.00 ATOM 80 CA LEU 112 47.224 -10.575 8.046 1.00 1.00 ATOM 81 CA ASN 113 46.469 -14.217 7.180 1.00 1.00 ATOM 82 CA ALA 114 46.300 -15.954 10.535 1.00 1.00 ATOM 83 CA THR 115 47.606 -19.490 11.151 1.00 1.00 ATOM 84 CA GLN 116 44.570 -20.294 13.253 1.00 1.00 ATOM 85 CA GLU 117 40.995 -19.039 13.961 1.00 1.00 ATOM 86 CA PRO 118 40.817 -15.523 15.344 1.00 1.00 ATOM 87 CA TYR 119 39.181 -16.285 18.624 1.00 1.00 ATOM 88 CA ALA 120 38.370 -13.386 20.950 1.00 1.00 ATOM 93 CA GLN 121 36.163 -15.667 13.187 1.00 1.00 ATOM 94 CA HIS 122 38.418 -16.502 10.281 1.00 1.00 ATOM 95 CA TYR 123 41.147 -13.875 9.645 1.00 1.00 ATOM 96 CA GLN 124 42.641 -14.168 6.144 1.00 1.00 ATOM 97 CA MET 125 43.047 -10.495 5.489 1.00 1.00 ATOM 98 CA TYR 126 46.154 -10.674 3.369 1.00 1.00 ATOM 99 CA ASP 127 44.356 -13.011 1.005 1.00 1.00 ATOM 100 CA TYR 128 41.292 -10.795 0.884 1.00 1.00 ATOM 101 CA ILE 129 43.140 -7.522 0.373 1.00 1.00 ATOM 102 CA HIS 130 45.506 -8.897 -2.223 1.00 1.00 ATOM 103 CA LYS 131 43.128 -11.100 -4.314 1.00 1.00 ATOM 104 CA GLU 132 39.431 -11.275 -3.264 1.00 1.00 ATOM 105 CA LEU 133 38.802 -7.612 -2.880 1.00 1.00 ATOM 106 CA PRO 134 40.792 -6.112 -5.794 1.00 1.00 ATOM 107 CA GLN 135 39.246 -8.697 -8.062 1.00 1.00 ATOM 108 CA THR 136 35.728 -7.889 -6.912 1.00 1.00 ATOM 109 CA LEU 137 36.381 -4.179 -7.087 1.00 1.00 ATOM 110 CA ASP 138 37.700 -4.505 -10.569 1.00 1.00 ATOM 111 CA SER 139 34.885 -6.749 -11.764 1.00 1.00 ATOM 112 CA HIS 140 32.053 -4.782 -10.064 1.00 1.00 ATOM 113 CA PHE 141 33.373 -1.253 -9.841 1.00 1.00 ATOM 114 CA ASN 142 36.115 -0.893 -12.484 1.00 1.00 ATOM 115 CA LYS 143 38.747 -0.063 -9.849 1.00 1.00 ATOM 116 CA PHE 151 42.243 -0.602 -11.146 1.00 1.00 ATOM 117 CA LEU 152 43.574 -3.697 -9.301 1.00 1.00 ATOM 118 CA ASP 153 47.252 -2.620 -9.558 1.00 1.00 ATOM 119 CA ASN 154 49.152 0.475 -8.645 1.00 1.00 ATOM 120 CA VAL 155 47.368 1.095 -5.354 1.00 1.00 ATOM 121 CA ALA 156 48.307 2.708 -2.086 1.00 1.00 ATOM 122 CA ILE 157 47.800 1.134 1.341 1.00 1.00 ATOM 123 CA THR 158 47.595 3.523 4.257 1.00 1.00 ATOM 124 CA GLY 159 47.217 2.395 7.793 1.00 1.00 ATOM 125 CA HIS 160 47.469 3.716 11.243 1.00 1.00 ATOM 126 CA SER 161 48.322 1.948 14.449 1.00 1.00 ATOM 127 CA MET 162 48.369 -1.833 13.866 1.00 1.00 ATOM 128 CA GLY 163 47.741 -1.185 10.212 1.00 1.00 ATOM 129 CA GLY 164 50.810 0.901 9.520 1.00 1.00 ATOM 130 CA TYR 165 53.086 -2.100 9.570 1.00 1.00 ATOM 131 CA GLY 166 50.424 -4.002 7.593 1.00 1.00 ATOM 132 CA ALA 167 50.565 -1.430 4.868 1.00 1.00 ATOM 133 CA ILE 168 54.294 -1.781 4.420 1.00 1.00 ATOM 134 CA CYS 169 54.056 -5.561 4.498 1.00 1.00 ATOM 135 CA GLY 170 51.371 -5.507 1.856 1.00 1.00 ATOM 136 CA TYR 171 53.674 -3.557 -0.350 1.00 1.00 ATOM 137 CA LEU 172 56.736 -5.642 0.556 1.00 1.00 ATOM 138 CA LYS 173 55.178 -8.890 -0.628 1.00 1.00 ATOM 139 CA GLY 174 52.718 -7.485 -3.223 1.00 1.00 ATOM 140 CA TYR 175 54.564 -4.634 -4.931 1.00 1.00 ATOM 141 CA SER 176 52.607 -4.725 -8.222 1.00 1.00 ATOM 142 CA ARG 179 49.405 -4.119 -6.301 1.00 1.00 ATOM 143 CA TYR 180 50.713 -1.725 -3.663 1.00 1.00 ATOM 144 CA LYS 181 53.188 0.810 -4.974 1.00 1.00 ATOM 145 CA SER 182 52.708 3.193 -2.096 1.00 1.00 ATOM 146 CA CYS 183 52.479 2.488 1.601 1.00 1.00 ATOM 147 CA SER 184 51.570 4.966 4.344 1.00 1.00 ATOM 148 CA ALA 185 52.311 4.137 7.954 1.00 1.00 ATOM 149 CA PHE 186 50.927 6.384 10.703 1.00 1.00 ATOM 150 CA ALA 187 52.088 5.743 14.202 1.00 1.00 ATOM 151 CA PRO 188 52.916 2.090 13.877 1.00 1.00 ATOM 152 CA ILE 189 55.350 -0.223 15.640 1.00 1.00 ATOM 153 CA VAL 190 57.753 -0.918 12.770 1.00 1.00 ATOM 154 CA ASN 191 59.913 -3.601 14.369 1.00 1.00 ATOM 155 CA PRO 192 57.269 -5.886 15.771 1.00 1.00 ATOM 156 CA SER 193 59.453 -9.031 15.647 1.00 1.00 ATOM 157 CA ASN 194 62.277 -7.568 17.768 1.00 1.00 ATOM 164 CA VAL 195 51.620 -6.923 20.344 1.00 1.00 ATOM 165 CA PRO 196 50.103 -9.698 22.265 1.00 1.00 ATOM 166 CA TRP 197 49.029 -7.364 25.016 1.00 1.00 ATOM 167 CA GLY 198 47.414 -5.008 22.544 1.00 1.00 ATOM 168 CA GLN 199 45.429 -7.803 20.906 1.00 1.00 ATOM 169 CA LYS 200 44.271 -8.983 24.295 1.00 1.00 ATOM 170 CA ALA 201 43.076 -5.559 25.177 1.00 1.00 ATOM 171 CA PHE 202 41.349 -5.063 21.827 1.00 1.00 ATOM 172 CA LYS 203 38.880 -7.904 21.514 1.00 1.00 ATOM 173 CA GLY 204 40.669 -10.451 23.670 1.00 1.00 ATOM 174 CA TYR 205 42.587 -12.154 20.881 1.00 1.00 ATOM 175 CA LEU 206 45.827 -14.222 21.051 1.00 1.00 ATOM 176 CA GLY 207 48.958 -13.330 19.052 1.00 1.00 ATOM 177 CA GLU 208 49.791 -17.013 18.989 1.00 1.00 ATOM 178 CA GLU 209 46.720 -17.677 16.826 1.00 1.00 ATOM 179 CA LYS 210 48.019 -15.113 14.386 1.00 1.00 ATOM 186 CA ALA 211 59.208 -17.081 11.167 1.00 1.00 ATOM 187 CA GLN 212 55.917 -15.262 10.650 1.00 1.00 ATOM 188 CA TRP 213 57.125 -12.594 13.047 1.00 1.00 ATOM 189 CA GLU 214 60.064 -11.580 10.882 1.00 1.00 ATOM 190 CA ALA 215 58.004 -12.060 7.721 1.00 1.00 ATOM 191 CA TYR 216 55.555 -9.401 8.990 1.00 1.00 ATOM 192 CA ASP 217 58.127 -6.948 10.392 1.00 1.00 ATOM 193 CA PRO 218 58.520 -4.000 8.008 1.00 1.00 ATOM 194 CA CYS 219 62.098 -3.241 9.259 1.00 1.00 ATOM 195 CA LEU 220 63.180 -6.767 8.373 1.00 1.00 ATOM 196 CA LEU 221 61.475 -6.290 4.955 1.00 1.00 ATOM 197 CA ILE 222 63.358 -3.074 4.144 1.00 1.00 ATOM 198 CA LYS 223 65.384 -4.715 1.317 1.00 1.00 ATOM 199 CA ASN 224 62.117 -5.608 -0.380 1.00 1.00 ATOM 200 CA ARG 226 60.755 -2.093 0.061 1.00 1.00 ATOM 201 CA HIS 227 63.948 -0.613 -1.268 1.00 1.00 ATOM 202 CA VAL 228 64.210 -2.964 -4.239 1.00 1.00 ATOM 203 CA GLY 229 60.652 -2.395 -5.261 1.00 1.00 ATOM 204 CA ASP 230 61.225 1.346 -4.823 1.00 1.00 ATOM 205 CA ASP 231 57.999 1.518 -2.839 1.00 1.00 ATOM 206 CA ARG 232 56.802 5.059 -2.148 1.00 1.00 ATOM 207 CA ILE 233 56.684 5.371 1.592 1.00 1.00 ATOM 208 CA LEU 234 54.911 7.940 3.743 1.00 1.00 ATOM 209 CA ILE 235 56.012 7.354 7.313 1.00 1.00 ATOM 210 CA HIS 236 54.538 9.443 10.153 1.00 1.00 ATOM 211 CA VAL 237 54.909 9.418 13.859 1.00 1.00 ATOM 212 CA GLY 238 54.315 12.085 16.478 1.00 1.00 ATOM 213 CA ASP 239 56.532 12.586 19.509 1.00 1.00 ATOM 214 CA SER 240 53.858 12.311 22.117 1.00 1.00 ATOM 215 CA ASP 241 53.348 16.036 22.787 1.00 1.00 ATOM 216 CA PRO 242 49.861 17.188 21.955 1.00 1.00 ATOM 217 CA PHE 243 49.229 20.663 20.537 1.00 1.00 ATOM 219 CA LEU 244 44.727 19.908 17.865 1.00 1.00 ATOM 220 CA GLU 245 43.877 17.846 20.928 1.00 1.00 ATOM 221 CA GLU 246 44.555 14.235 21.766 1.00 1.00 ATOM 222 CA HIS 247 45.970 15.406 25.089 1.00 1.00 ATOM 223 CA LEU 248 45.473 12.288 27.172 1.00 1.00 ATOM 224 CA LYS 249 48.069 10.058 28.801 1.00 1.00 ATOM 225 CA PRO 250 47.431 6.885 26.787 1.00 1.00 ATOM 226 CA GLU 251 47.654 8.683 23.482 1.00 1.00 ATOM 227 CA LEU 252 50.858 10.377 24.543 1.00 1.00 ATOM 228 CA LEU 253 52.547 7.277 25.963 1.00 1.00 ATOM 229 CA LEU 254 51.570 5.207 23.007 1.00 1.00 ATOM 230 CA GLU 255 52.986 7.584 20.460 1.00 1.00 ATOM 231 CA ALA 256 56.223 8.153 22.321 1.00 1.00 ATOM 232 CA VAL 257 56.579 4.446 22.580 1.00 1.00 ATOM 233 CA LYS 258 56.214 3.652 18.867 1.00 1.00 ATOM 234 CA ALA 259 58.431 6.570 17.777 1.00 1.00 ATOM 235 CA THR 260 61.781 4.823 18.405 1.00 1.00 ATOM 236 CA SER 261 60.909 2.044 15.923 1.00 1.00 ATOM 237 CA TRP 262 60.039 4.714 13.506 1.00 1.00 ATOM 238 CA GLN 263 63.282 6.546 13.868 1.00 1.00 ATOM 250 CA ASP 264 65.159 6.747 -1.605 1.00 1.00 ATOM 251 CA TYR 265 61.415 7.073 -2.067 1.00 1.00 ATOM 252 CA VAL 266 60.049 7.948 1.298 1.00 1.00 ATOM 253 CA GLU 267 58.656 10.850 3.183 1.00 1.00 ATOM 254 CA ILE 268 59.578 10.810 6.870 1.00 1.00 ATOM 255 CA LYS 269 57.264 13.004 9.000 1.00 1.00 ATOM 256 CA LYS 270 58.476 13.063 12.606 1.00 1.00 ATOM 257 CA VAL 271 57.357 16.404 14.018 1.00 1.00 ATOM 258 CA HIS 272 57.993 17.630 17.549 1.00 1.00 ATOM 259 CA GLY 273 54.299 17.054 18.262 1.00 1.00 ATOM 260 CA PHE 274 51.371 14.610 17.992 1.00 1.00 ATOM 261 CA ASP 275 49.707 11.909 19.984 1.00 1.00 ATOM 262 CA HIS 276 48.074 8.592 19.145 1.00 1.00 ATOM 263 CA SER 277 44.851 10.237 18.135 1.00 1.00 ATOM 264 CA TYR 278 42.706 10.784 15.055 1.00 1.00 ATOM 265 CA TYR 279 43.259 14.542 15.042 1.00 1.00 ATOM 266 CA PHE 280 46.823 13.898 14.028 1.00 1.00 ATOM 267 CA VAL 281 46.081 10.984 11.652 1.00 1.00 ATOM 268 CA SER 282 43.334 12.798 9.772 1.00 1.00 ATOM 269 CA THR 283 45.770 15.677 9.288 1.00 1.00 ATOM 270 CA PHE 284 48.234 13.308 7.662 1.00 1.00 ATOM 271 CA VAL 285 45.716 11.797 5.340 1.00 1.00 ATOM 272 CA PRO 286 44.617 15.278 4.263 1.00 1.00 ATOM 273 CA GLU 287 48.238 16.298 3.755 1.00 1.00 ATOM 274 CA HIS 288 49.096 13.310 1.629 1.00 1.00 ATOM 275 CA ALA 289 46.417 13.743 -1.065 1.00 1.00 ATOM 276 CA GLU 290 48.632 15.509 -3.648 1.00 1.00 ATOM 277 CA PHE 291 51.462 13.089 -3.053 1.00 1.00 ATOM 278 CA HIS 292 49.098 10.181 -3.645 1.00 1.00 ATOM 279 CA ALA 293 47.773 11.750 -6.804 1.00 1.00 ATOM 280 CA ARG 294 51.227 12.208 -8.251 1.00 1.00 ATOM 281 CA ASN 295 52.574 8.829 -7.140 1.00 1.00 ATOM 282 CA LEU 296 49.566 6.749 -8.277 1.00 1.00 ATOM 283 CA GLY 297 48.812 8.869 -11.369 1.00 1.00 ATOM 284 CA LEU 298 45.461 10.450 -10.360 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:28:07 2002 Date: Mon, 26 Aug 2002 12:28:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 26 12:00:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_152625_34736 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS007_3 Current information on models submitted in prediction T0195TS007 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 casp5@bialko.llnl.gov T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1DQZ_A # Loading PARENT structure: 1dqz (chain: A) # Number of residues in PARENT structure: 280 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 C 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue A 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 175 # IMPORTANT NOTE! Not complete main chain atoms for residue S 176 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue W 197 # IMPORTANT NOTE! Not complete main chain atoms for residue G 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 199 # IMPORTANT NOTE! Not complete main chain atoms for residue K 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 216 # IMPORTANT NOTE! Not complete main chain atoms for residue D 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue C 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue I 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue N 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue V 228 # IMPORTANT NOTE! Not complete main chain atoms for residue G 229 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue P 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 281 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue F 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue N 295 # IMPORTANT NOTE! Not complete main chain atoms for residue L 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 248 # Total number of atoms in model: 248 # Number of atoms with 1.0 occupancy: 248 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 248 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1DQZ_A ATOM 3 CA VAL 9 -5.969 3.776 69.090 1.00 1.00 ATOM 4 CA CYS 10 -4.759 4.819 65.554 1.00 1.00 ATOM 5 CA GLY 11 -2.616 7.758 64.550 1.00 1.00 ATOM 6 CA GLY 12 -4.023 10.711 62.647 1.00 1.00 ATOM 7 CA ARG 13 -7.752 10.408 62.995 1.00 1.00 ATOM 8 CA LEU 14 -8.575 10.727 59.340 1.00 1.00 ATOM 9 CA ILE 15 -12.192 9.720 58.671 1.00 1.00 ATOM 10 CA LYS 16 -14.236 9.174 55.537 1.00 1.00 ATOM 11 CA LEU 17 -17.852 10.303 56.087 1.00 1.00 ATOM 12 CA SER 18 -21.185 9.999 54.306 1.00 1.00 ATOM 13 CA HIS 19 -23.223 13.190 54.811 1.00 1.00 ATOM 14 CA ASN 20 -26.805 13.218 53.601 1.00 1.00 ATOM 15 CA SER 21 -27.781 16.057 51.277 1.00 1.00 ATOM 16 CA ASN 22 -31.518 16.629 51.112 1.00 1.00 ATOM 17 CA SER 23 -31.015 19.206 48.363 1.00 1.00 ATOM 18 CA THR 24 -29.049 16.825 46.124 1.00 1.00 ATOM 19 CA LYS 25 -30.924 13.639 47.103 1.00 1.00 ATOM 20 CA THR 26 -27.844 11.657 47.978 1.00 1.00 ATOM 21 CA SER 27 -25.050 11.215 50.460 1.00 1.00 ATOM 22 CA MET 28 -22.025 13.466 49.851 1.00 1.00 ATOM 23 CA ASN 29 -18.672 11.943 50.819 1.00 1.00 ATOM 24 CA VAL 30 -16.475 14.058 53.094 1.00 1.00 ATOM 25 CA ASN 31 -12.954 13.399 54.343 1.00 1.00 ATOM 26 CA ILE 32 -12.442 14.671 57.875 1.00 1.00 ATOM 27 CA TYR 33 -9.773 15.042 60.534 1.00 1.00 ATOM 28 CA LEU 34 -11.244 16.298 63.802 1.00 1.00 ATOM 29 CA PRO 35 -8.980 18.533 65.800 1.00 1.00 ATOM 30 CA LYS 36 -10.881 21.456 67.282 1.00 1.00 ATOM 31 CA ILE 49 -14.277 23.202 67.068 1.00 1.00 ATOM 32 CA PRO 50 -13.286 25.376 64.085 1.00 1.00 ATOM 33 CA THR 51 -12.346 23.961 60.773 1.00 1.00 ATOM 34 CA VAL 52 -10.550 24.635 57.548 1.00 1.00 ATOM 35 CA PHE 53 -12.769 23.691 54.568 1.00 1.00 ATOM 36 CA TYR 54 -10.392 22.530 51.809 1.00 1.00 ATOM 37 CA LEU 55 -12.199 22.907 48.488 1.00 1.00 ATOM 38 CA SER 56 -11.086 21.004 45.381 1.00 1.00 ATOM 39 CA GLY 57 -10.307 22.067 41.829 1.00 1.00 ATOM 40 CA LEU 58 -12.252 21.769 38.571 1.00 1.00 ATOM 41 CA THR 59 -11.381 18.105 38.100 1.00 1.00 ATOM 42 CA CYS 60 -12.681 17.031 41.538 1.00 1.00 ATOM 43 CA THR 61 -12.944 13.214 41.690 1.00 1.00 ATOM 44 CA PRO 62 -15.670 11.186 43.337 1.00 1.00 ATOM 45 CA ASP 63 -13.306 9.100 45.484 1.00 1.00 ATOM 48 CA ASN 64 -7.400 16.641 45.497 1.00 1.00 ATOM 49 CA ALA 65 -5.798 17.988 48.650 1.00 1.00 ATOM 50 CA SER 66 -5.467 14.403 50.000 1.00 1.00 ATOM 51 CA GLU 67 -4.389 13.045 46.613 1.00 1.00 ATOM 52 CA LYS 68 -1.663 15.613 46.033 1.00 1.00 ATOM 53 CA ALA 69 -0.493 17.049 49.334 1.00 1.00 ATOM 54 CA PHE 70 0.329 16.316 52.966 1.00 1.00 ATOM 55 CA TRP 71 -2.505 18.594 54.123 1.00 1.00 ATOM 56 CA GLN 72 -3.827 16.331 56.837 1.00 1.00 ATOM 57 CA PHE 73 -0.325 15.766 58.276 1.00 1.00 ATOM 58 CA GLN 74 0.435 19.473 58.061 1.00 1.00 ATOM 59 CA ALA 75 -2.641 20.445 60.021 1.00 1.00 ATOM 60 CA ASP 76 -2.638 17.568 62.486 1.00 1.00 ATOM 61 CA LYS 77 -2.549 19.026 66.062 1.00 1.00 ATOM 62 CA TYR 78 -3.031 22.532 64.727 1.00 1.00 ATOM 63 CA GLY 79 -6.066 23.070 66.967 1.00 1.00 ATOM 64 CA PHE 80 -8.182 23.084 63.800 1.00 1.00 ATOM 65 CA ALA 81 -10.328 20.369 62.192 1.00 1.00 ATOM 66 CA ILE 82 -9.831 19.738 58.460 1.00 1.00 ATOM 67 CA VAL 83 -12.800 19.102 56.150 1.00 1.00 ATOM 68 CA PHE 84 -12.293 17.927 52.533 1.00 1.00 ATOM 69 CA PRO 85 -15.644 17.558 50.700 1.00 1.00 ATOM 70 CA ASP 86 -15.469 14.964 47.945 1.00 1.00 ATOM 71 CA THR 87 -16.948 15.312 44.460 1.00 1.00 ATOM 72 CA SER 88 -18.533 18.155 42.613 1.00 1.00 ATOM 73 CA PRO 89 -16.537 18.110 39.376 1.00 1.00 ATOM 74 CA ARG 90 -16.925 21.481 37.565 1.00 1.00 ATOM 75 CA GLY 109 -19.472 22.550 40.173 1.00 1.00 ATOM 76 CA PHE 110 -17.915 25.811 41.315 1.00 1.00 ATOM 77 CA TYR 111 -19.327 24.819 44.738 1.00 1.00 ATOM 78 CA LEU 112 -22.430 26.756 43.813 1.00 1.00 ATOM 79 CA ASN 113 -26.172 26.098 43.540 1.00 1.00 ATOM 80 CA ALA 114 -27.026 25.447 39.908 1.00 1.00 ATOM 81 CA THR 115 -30.246 26.460 38.161 1.00 1.00 ATOM 82 CA GLN 116 -30.775 22.969 36.742 1.00 1.00 ATOM 83 CA GLU 117 -29.164 19.570 36.023 1.00 1.00 ATOM 84 CA PRO 118 -26.265 19.958 33.607 1.00 1.00 ATOM 85 CA TYR 119 -27.779 19.792 30.161 1.00 1.00 ATOM 86 CA ALA 120 -25.680 17.531 27.970 1.00 1.00 ATOM 87 CA GLN 121 -23.912 15.007 30.163 1.00 1.00 ATOM 92 CA HIS 122 -29.143 19.520 40.349 1.00 1.00 ATOM 93 CA TYR 123 -25.904 20.483 42.036 1.00 1.00 ATOM 94 CA GLN 124 -26.702 22.446 45.221 1.00 1.00 ATOM 95 CA MET 125 -23.220 22.729 46.641 1.00 1.00 ATOM 96 CA TYR 126 -23.678 26.137 48.232 1.00 1.00 ATOM 97 CA ASP 127 -26.731 24.796 50.108 1.00 1.00 ATOM 98 CA TYR 128 -24.691 21.744 51.087 1.00 1.00 ATOM 99 CA ILE 129 -21.621 23.661 52.328 1.00 1.00 ATOM 100 CA HIS 130 -23.527 26.376 54.199 1.00 1.00 ATOM 101 CA LYS 131 -26.475 24.496 55.644 1.00 1.00 ATOM 102 CA GLU 132 -26.499 20.719 55.313 1.00 1.00 ATOM 103 CA LEU 133 -22.927 19.880 56.006 1.00 1.00 ATOM 104 CA PRO 134 -22.281 22.263 58.897 1.00 1.00 ATOM 105 CA GLN 135 -25.516 21.130 60.615 1.00 1.00 ATOM 106 CA THR 136 -24.473 17.503 60.298 1.00 1.00 ATOM 107 CA LEU 137 -20.897 18.126 61.453 1.00 1.00 ATOM 108 CA ASP 138 -22.130 20.074 64.460 1.00 1.00 ATOM 109 CA SER 139 -24.476 17.251 65.474 1.00 1.00 ATOM 110 CA HIS 140 -22.088 14.425 64.705 1.00 1.00 ATOM 111 CA PHE 141 -18.509 15.655 65.070 1.00 1.00 ATOM 112 CA ASN 142 -18.653 18.659 67.386 1.00 1.00 ATOM 113 CA LYS 143 -17.614 21.160 64.741 1.00 1.00 ATOM 114 CA ASN 144 -18.913 24.729 65.058 1.00 1.00 ATOM 115 CA GLY 145 -21.048 25.917 62.063 1.00 1.00 ATOM 116 CA ASP 153 -19.484 29.366 62.649 1.00 1.00 ATOM 117 CA ASN 154 -15.947 30.753 62.703 1.00 1.00 ATOM 118 CA VAL 155 -14.352 28.634 60.016 1.00 1.00 ATOM 119 CA ALA 156 -12.031 29.093 57.041 1.00 1.00 ATOM 120 CA ILE 157 -12.849 28.381 53.362 1.00 1.00 ATOM 121 CA THR 158 -9.679 27.595 51.353 1.00 1.00 ATOM 122 CA GLY 159 -9.991 27.068 47.615 1.00 1.00 ATOM 123 CA HIS 160 -7.743 26.750 44.598 1.00 1.00 ATOM 124 CA SER 161 -8.242 27.257 40.887 1.00 1.00 ATOM 125 CA MET 162 -12.033 26.772 40.307 1.00 1.00 ATOM 126 CA GLY 163 -12.697 27.006 44.033 1.00 1.00 ATOM 127 CA GLY 164 -10.526 30.047 44.813 1.00 1.00 ATOM 128 CA TYR 165 -13.441 32.267 43.728 1.00 1.00 ATOM 129 CA GLY 166 -15.858 29.908 45.499 1.00 1.00 ATOM 130 CA ALA 167 -14.092 30.440 48.847 1.00 1.00 ATOM 131 CA ILE 168 -14.329 34.213 48.520 1.00 1.00 ATOM 132 CA CYS 169 -18.026 34.039 47.465 1.00 1.00 ATOM 133 CA GLY 170 -18.867 31.757 50.394 1.00 1.00 ATOM 134 CA TYR 171 -17.258 34.274 52.791 1.00 1.00 ATOM 135 CA LEU 172 -18.940 37.205 50.971 1.00 1.00 ATOM 136 CA LYS 173 -22.442 35.773 51.554 1.00 1.00 ATOM 137 CA GLY 174 -21.914 33.725 54.788 1.00 1.00 ATOM 138 CA TYR 175 -19.482 35.861 56.830 1.00 1.00 ATOM 139 CA SER 176 -20.341 34.306 60.178 1.00 1.00 ATOM 140 CA ARG 179 -19.573 30.852 58.843 1.00 1.00 ATOM 141 CA TYR 180 -16.369 32.026 57.130 1.00 1.00 ATOM 142 CA LYS 181 -14.530 34.964 58.709 1.00 1.00 ATOM 143 CA SER 182 -11.437 33.683 56.814 1.00 1.00 ATOM 144 CA CYS 183 -11.191 32.817 53.093 1.00 1.00 ATOM 145 CA SER 184 -8.235 31.955 50.937 1.00 1.00 ATOM 146 CA ALA 185 -8.165 31.937 47.124 1.00 1.00 ATOM 147 CA PHE 186 -5.127 30.172 45.607 1.00 1.00 ATOM 148 CA ALA 187 -4.770 30.882 41.847 1.00 1.00 ATOM 149 CA PRO 188 -8.498 31.590 41.586 1.00 1.00 ATOM 150 CA ILE 189 -10.450 33.091 38.644 1.00 1.00 ATOM 151 CA VAL 190 -11.623 36.220 40.352 1.00 1.00 ATOM 152 CA ASN 191 -13.691 38.135 37.785 1.00 1.00 ATOM 153 CA PRO 192 -15.685 35.270 36.171 1.00 1.00 ATOM 154 CA SER 193 -18.404 37.516 34.799 1.00 1.00 ATOM 155 CA ASN 194 -15.940 39.776 32.930 1.00 1.00 ATOM 156 CA VAL 195 -14.758 39.801 29.317 1.00 1.00 ATOM 157 CA PRO 196 -13.811 36.386 27.947 1.00 1.00 ATOM 158 CA TRP 197 -14.121 34.655 31.322 1.00 1.00 ATOM 171 CA GLY 198 -18.981 17.724 29.910 1.00 1.00 ATOM 172 CA GLN 199 -20.692 20.132 32.286 1.00 1.00 ATOM 173 CA LYS 200 -22.657 23.091 30.979 1.00 1.00 ATOM 174 CA ALA 201 -22.088 26.584 32.428 1.00 1.00 ATOM 175 CA PHE 202 -25.511 27.615 31.096 1.00 1.00 ATOM 176 CA LYS 203 -27.183 25.124 33.460 1.00 1.00 ATOM 177 CA GLY 204 -25.180 26.545 36.330 1.00 1.00 ATOM 178 CA TYR 205 -25.514 30.343 36.113 1.00 1.00 ATOM 179 CA LEU 206 -27.437 30.804 32.840 1.00 1.00 ATOM 180 CA GLY 207 -26.113 32.831 29.865 1.00 1.00 ATOM 181 CA GLU 208 -23.440 35.386 30.840 1.00 1.00 ATOM 182 CA GLU 209 -26.074 38.125 31.004 1.00 1.00 ATOM 183 CA LYS 210 -27.839 36.291 33.844 1.00 1.00 ATOM 184 CA ALA 211 -27.516 37.964 37.293 1.00 1.00 ATOM 185 CA GLN 212 -25.987 34.765 38.704 1.00 1.00 ATOM 186 CA TRP 213 -22.679 35.577 36.963 1.00 1.00 ATOM 187 CA GLU 214 -22.156 38.869 38.799 1.00 1.00 ATOM 188 CA ALA 215 -23.655 37.448 42.031 1.00 1.00 ATOM 189 CA TYR 216 -20.846 34.846 42.025 1.00 1.00 ATOM 190 CA ASP 217 -18.056 37.112 40.872 1.00 1.00 ATOM 191 CA PRO 218 -15.530 37.884 43.648 1.00 1.00 ATOM 192 CA CYS 219 -14.407 41.150 42.029 1.00 1.00 ATOM 193 CA LEU 220 -18.041 42.318 41.900 1.00 1.00 ATOM 194 CA LEU 221 -18.615 41.231 45.508 1.00 1.00 ATOM 195 CA ILE 222 -15.548 42.956 46.977 1.00 1.00 ATOM 196 CA LYS 223 -17.867 45.448 48.770 1.00 1.00 ATOM 197 CA ASN 224 -19.326 42.554 50.769 1.00 1.00 ATOM 198 CA ILE 225 -15.868 41.267 51.707 1.00 1.00 ATOM 199 CA ARG 226 -14.985 44.836 52.796 1.00 1.00 ATOM 200 CA HIS 227 -18.197 45.390 54.788 1.00 1.00 ATOM 201 CA VAL 228 -17.714 42.120 56.624 1.00 1.00 ATOM 202 CA GLY 229 -13.995 42.746 57.116 1.00 1.00 ATOM 203 CA ASP 231 -13.389 39.137 56.069 1.00 1.00 ATOM 204 CA ARG 232 -9.741 38.079 56.470 1.00 1.00 ATOM 205 CA ILE 233 -8.727 37.094 52.943 1.00 1.00 ATOM 206 CA LEU 234 -5.581 35.383 51.705 1.00 1.00 ATOM 207 CA ILE 235 -5.159 35.744 47.934 1.00 1.00 ATOM 208 CA HIS 236 -2.316 34.022 46.092 1.00 1.00 ATOM 209 CA VAL 237 -1.242 33.743 42.495 1.00 1.00 ATOM 210 CA GLY 238 2.068 32.658 41.021 1.00 1.00 ATOM 211 CA ASP 239 3.674 34.147 37.938 1.00 1.00 ATOM 212 CA SER 240 3.998 31.097 35.717 1.00 1.00 ATOM 213 CA ASP 241 7.681 30.314 36.358 1.00 1.00 ATOM 214 CA PRO 242 8.336 27.029 38.105 1.00 1.00 ATOM 226 CA PHE 243 -0.112 29.021 31.048 1.00 1.00 ATOM 227 CA LEU 244 -2.974 29.080 33.492 1.00 1.00 ATOM 228 CA GLU 245 -1.044 30.798 36.239 1.00 1.00 ATOM 229 CA GLU 246 0.167 33.525 33.889 1.00 1.00 ATOM 230 CA HIS 247 -3.342 33.940 32.474 1.00 1.00 ATOM 231 CA LEU 248 -5.031 34.495 35.848 1.00 1.00 ATOM 232 CA LYS 249 -2.345 36.579 37.556 1.00 1.00 ATOM 233 CA PRO 250 -3.523 39.834 35.958 1.00 1.00 ATOM 234 CA GLU 251 -7.030 39.352 37.309 1.00 1.00 ATOM 237 CA LEU 252 -6.636 43.851 39.621 1.00 1.00 ATOM 238 CA LEU 253 -8.531 42.216 42.478 1.00 1.00 ATOM 239 CA LEU 254 -5.893 43.346 44.996 1.00 1.00 ATOM 240 CA GLU 255 -6.035 46.884 43.628 1.00 1.00 ATOM 241 CA ALA 256 -9.830 47.013 43.614 1.00 1.00 ATOM 242 CA VAL 257 -10.016 45.565 47.102 1.00 1.00 ATOM 243 CA LYS 258 -7.831 48.370 48.572 1.00 1.00 ATOM 244 CA ALA 259 -9.611 51.045 46.510 1.00 1.00 ATOM 245 CA THR 260 -12.891 49.827 47.982 1.00 1.00 ATOM 246 CA SER 261 -11.661 50.099 51.568 1.00 1.00 ATOM 247 CA TRP 262 -10.493 46.527 51.934 1.00 1.00 ATOM 248 CA GLN 263 -8.108 46.305 54.871 1.00 1.00 ATOM 249 CA ASP 264 -7.838 42.695 55.984 1.00 1.00 ATOM 250 CA TYR 265 -6.118 40.951 53.120 1.00 1.00 ATOM 251 CA VAL 266 -2.842 39.134 52.505 1.00 1.00 ATOM 252 CA GLU 267 -1.742 39.216 48.820 1.00 1.00 ATOM 253 CA ILE 268 1.055 36.889 47.794 1.00 1.00 ATOM 254 CA LYS 270 2.224 37.336 44.173 1.00 1.00 ATOM 255 CA VAL 271 5.778 35.838 44.236 1.00 1.00 ATOM 256 CA HIS 272 8.157 35.759 41.275 1.00 1.00 ATOM 257 CA GLY 273 7.484 32.024 40.788 1.00 1.00 ATOM 258 CA PHE 274 4.747 29.390 40.766 1.00 1.00 ATOM 259 CA ASP 275 2.600 27.452 38.321 1.00 1.00 ATOM 260 CA HIS 276 -1.029 26.295 38.524 1.00 1.00 ATOM 261 CA SER 277 -0.209 23.117 40.375 1.00 1.00 ATOM 262 CA TYR 278 -0.476 21.419 43.722 1.00 1.00 ATOM 263 CA TYR 279 2.999 21.985 45.142 1.00 1.00 ATOM 264 CA PHE 280 2.431 25.722 45.219 1.00 1.00 ATOM 265 CA VAL 281 -1.050 25.466 46.654 1.00 1.00 ATOM 266 CA SER 282 0.312 23.231 49.400 1.00 1.00 ATOM 267 CA THR 283 3.142 25.718 50.046 1.00 1.00 ATOM 268 CA PHE 284 0.513 28.386 50.611 1.00 1.00 ATOM 269 CA VAL 285 -1.640 26.136 52.861 1.00 1.00 ATOM 270 CA PRO 286 1.426 25.682 55.106 1.00 1.00 ATOM 271 CA GLU 287 2.270 29.405 54.914 1.00 1.00 ATOM 272 CA HIS 288 -1.202 30.446 56.076 1.00 1.00 ATOM 273 CA ALA 289 -1.523 28.070 59.010 1.00 1.00 ATOM 274 CA GLU 290 -0.376 30.459 61.740 1.00 1.00 ATOM 275 CA PHE 291 -2.641 33.186 60.333 1.00 1.00 ATOM 276 CA HIS 292 -5.680 30.906 60.360 1.00 1.00 ATOM 277 CA ALA 293 -4.839 29.751 63.895 1.00 1.00 ATOM 278 CA ARG 294 -4.626 33.377 64.971 1.00 1.00 ATOM 279 CA ASN 295 -7.872 34.429 63.339 1.00 1.00 ATOM 280 CA LEU 296 -10.061 31.480 64.227 1.00 1.00 ATOM 281 CA GLY 297 -8.606 30.373 67.575 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:36:28 2002 Date: Mon, 26 Aug 2002 12:36:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 26 12:08:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_233208_34761 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS007_4 Current information on models submitted in prediction T0195TS007 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_4 PIN_233208_34761 6269-7633-6117 08/26/02 12:08:30 casp5@bialko.llnl.gov T0195TS007_2 PIN_198174_34750 6269-7633-6117 08/26/02 12:04:59 casp5@bialko.llnl.gov T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_2 PIN_198174_34750 6269-7633-6117 08/26/02 12:04:59 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 casp5@bialko.llnl.gov T0195TS007_4 PIN_233208_34761 6269-7633-6117 08/26/02 12:08:30 casp5@bialko.llnl.gov T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1JJF_A # Loading PARENT structure: 1jjf (chain: A) # Number of residues in PARENT structure: 255 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 9 # IMPORTANT NOTE! Not complete main chain atoms for residue C 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 44 # IMPORTANT NOTE! Not complete main chain atoms for residue R 45 # IMPORTANT NOTE! Not complete main chain atoms for residue N 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue E 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 216 # IMPORTANT NOTE! Not complete main chain atoms for residue D 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue R 232 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue P 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 281 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 222 # Total number of atoms in model: 222 # Number of atoms with 1.0 occupancy: 222 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 222 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1JJF_A ATOM 45 CA SER 8 32.702 45.097 32.511 1.00 1.00 ATOM 46 CA VAL 9 31.967 42.072 34.695 1.00 1.00 ATOM 47 CA CYS 10 28.537 40.506 34.000 1.00 1.00 ATOM 48 CA GLY 11 26.370 40.617 37.128 1.00 1.00 ATOM 49 CA GLY 12 24.074 37.864 38.314 1.00 1.00 ATOM 50 CA ARG 13 20.653 38.618 39.765 1.00 1.00 ATOM 51 CA LEU 14 19.658 38.165 43.396 1.00 1.00 ATOM 52 CA ILE 15 15.960 37.379 43.687 1.00 1.00 ATOM 53 CA LYS 16 13.695 37.124 46.717 1.00 1.00 ATOM 54 CA LEU 17 11.560 33.994 47.008 1.00 1.00 ATOM 55 CA SER 18 9.130 32.462 49.471 1.00 1.00 ATOM 56 CA HIS 19 8.160 28.827 49.961 1.00 1.00 ATOM 57 CA ASN 20 5.730 26.902 52.123 1.00 1.00 ATOM 58 CA SER 21 7.499 24.937 54.849 1.00 1.00 ATOM 59 CA ASN 22 5.980 21.841 56.430 1.00 1.00 ATOM 60 CA SER 23 8.649 22.205 59.120 1.00 1.00 ATOM 61 CA THR 24 7.225 25.528 60.320 1.00 1.00 ATOM 62 CA LYS 25 3.775 25.391 58.711 1.00 1.00 ATOM 63 CA THR 26 4.337 28.896 57.420 1.00 1.00 ATOM 64 CA SER 27 5.636 30.719 54.367 1.00 1.00 ATOM 65 CA MET 28 9.387 31.257 54.644 1.00 1.00 ATOM 66 CA ASN 29 11.691 33.693 52.792 1.00 1.00 ATOM 67 CA VAL 30 15.003 33.068 51.025 1.00 1.00 ATOM 68 CA ASN 31 17.180 34.729 48.415 1.00 1.00 ATOM 69 CA ILE 32 18.515 33.129 45.265 1.00 1.00 ATOM 70 CA TYR 33 21.545 34.267 43.307 1.00 1.00 ATOM 71 CA LEU 34 21.186 33.400 39.623 1.00 1.00 ATOM 72 CA PRO 35 24.519 33.617 37.783 1.00 1.00 ATOM 73 CA LYS 36 24.863 35.973 34.822 1.00 1.00 ATOM 74 CA HIS 37 23.377 34.323 31.755 1.00 1.00 ATOM 75 CA TYR 38 21.120 32.046 33.800 1.00 1.00 ATOM 76 CA PRO 44 18.979 30.055 31.370 1.00 1.00 ATOM 77 CA ARG 45 16.436 27.256 31.793 1.00 1.00 ATOM 78 CA ASN 46 18.105 25.346 28.961 1.00 1.00 ATOM 79 CA LYS 47 21.010 24.423 31.222 1.00 1.00 ATOM 80 CA ARG 48 21.326 22.790 34.636 1.00 1.00 ATOM 81 CA ILE 49 23.265 24.356 37.504 1.00 1.00 ATOM 82 CA PRO 50 24.798 23.127 40.734 1.00 1.00 ATOM 83 CA THR 51 23.552 24.725 43.952 1.00 1.00 ATOM 84 CA VAL 52 25.271 26.034 47.081 1.00 1.00 ATOM 85 CA PHE 53 23.140 26.532 50.187 1.00 1.00 ATOM 86 CA TYR 54 24.860 29.328 52.119 1.00 1.00 ATOM 87 CA LEU 55 23.790 29.808 55.749 1.00 1.00 ATOM 88 CA SER 56 23.950 32.992 57.861 1.00 1.00 ATOM 89 CA GLY 57 24.490 33.454 61.601 1.00 1.00 ATOM 90 CA LEU 58 22.353 33.749 64.738 1.00 1.00 ATOM 91 CA THR 59 19.733 36.480 64.606 1.00 1.00 ATOM 92 CA CYS 60 20.795 37.068 61.020 1.00 1.00 ATOM 93 CA THR 61 18.823 36.762 57.783 1.00 1.00 ATOM 94 CA PRO 62 19.075 35.581 54.182 1.00 1.00 ATOM 95 CA ASP 63 20.328 39.078 53.330 1.00 1.00 ATOM 96 CA ASN 64 23.459 38.845 55.477 1.00 1.00 ATOM 97 CA ALA 65 25.446 37.013 52.812 1.00 1.00 ATOM 98 CA SER 66 24.592 39.682 50.239 1.00 1.00 ATOM 99 CA GLU 67 24.182 43.411 50.939 1.00 1.00 ATOM 100 CA LYS 68 24.356 42.482 54.620 1.00 1.00 ATOM 101 CA ALA 69 28.117 42.186 54.338 1.00 1.00 ATOM 102 CA PHE 70 28.773 38.911 52.553 1.00 1.00 ATOM 103 CA TRP 71 28.553 40.364 49.044 1.00 1.00 ATOM 104 CA GLN 72 28.267 36.761 47.836 1.00 1.00 ATOM 105 CA PHE 73 26.902 37.792 44.439 1.00 1.00 ATOM 106 CA GLN 74 29.830 40.129 43.769 1.00 1.00 ATOM 107 CA ALA 75 32.383 37.558 44.892 1.00 1.00 ATOM 108 CA ASP 76 30.743 34.928 42.668 1.00 1.00 ATOM 109 CA LYS 77 30.396 37.341 39.736 1.00 1.00 ATOM 110 CA TYR 78 34.095 38.170 39.845 1.00 1.00 ATOM 119 CA GLY 79 28.456 29.572 37.205 1.00 1.00 ATOM 120 CA PHE 80 26.245 28.108 39.924 1.00 1.00 ATOM 121 CA ALA 81 23.164 29.059 41.925 1.00 1.00 ATOM 122 CA ILE 82 23.611 30.230 45.517 1.00 1.00 ATOM 123 CA VAL 83 20.659 30.005 47.887 1.00 1.00 ATOM 124 CA PHE 84 20.578 31.844 51.208 1.00 1.00 ATOM 125 CA PRO 85 17.805 30.596 53.523 1.00 1.00 ATOM 126 CA ASP 86 16.623 31.947 56.854 1.00 1.00 ATOM 127 CA THR 87 18.213 29.449 59.252 1.00 1.00 ATOM 128 CA SER 88 15.857 29.878 62.205 1.00 1.00 ATOM 129 CA PRO 89 12.950 27.587 61.344 1.00 1.00 ATOM 130 CA ARG 90 10.806 28.720 64.268 1.00 1.00 ATOM 131 CA GLY 91 7.206 27.583 64.659 1.00 1.00 ATOM 132 CA ASP 92 4.432 26.089 66.864 1.00 1.00 ATOM 133 CA GLU 93 5.861 23.918 69.623 1.00 1.00 ATOM 134 CA VAL 94 9.397 24.384 68.316 1.00 1.00 ATOM 135 CA ALA 95 12.097 23.449 70.798 1.00 1.00 ATOM 136 CA ASN 96 15.018 24.611 68.643 1.00 1.00 ATOM 137 CA ASP 97 14.415 26.541 65.430 1.00 1.00 ATOM 138 CA HIS 122 18.001 26.144 64.274 1.00 1.00 ATOM 139 CA TYR 123 17.731 22.385 64.731 1.00 1.00 ATOM 140 CA GLN 124 14.313 22.351 63.036 1.00 1.00 ATOM 141 CA MET 125 15.995 23.983 60.043 1.00 1.00 ATOM 142 CA TYR 126 17.424 20.610 59.033 1.00 1.00 ATOM 143 CA ASP 127 13.927 19.391 58.170 1.00 1.00 ATOM 144 CA TYR 128 13.017 22.718 56.556 1.00 1.00 ATOM 145 CA ILE 129 16.018 22.639 54.246 1.00 1.00 ATOM 146 CA HIS 130 15.758 18.966 53.293 1.00 1.00 ATOM 147 CA LYS 131 11.984 18.569 52.987 1.00 1.00 ATOM 148 CA GLU 132 10.847 22.011 51.869 1.00 1.00 ATOM 149 CA LEU 133 13.505 24.385 50.562 1.00 1.00 ATOM 150 CA PRO 134 15.572 22.001 48.447 1.00 1.00 ATOM 151 CA GLN 135 12.429 20.522 46.841 1.00 1.00 ATOM 152 CA THR 136 11.205 24.062 46.103 1.00 1.00 ATOM 153 CA LEU 137 14.488 25.093 44.497 1.00 1.00 ATOM 154 CA ASP 138 14.656 21.905 42.442 1.00 1.00 ATOM 155 CA SER 139 11.126 22.344 41.116 1.00 1.00 ATOM 156 CA HIS 140 11.497 26.059 40.334 1.00 1.00 ATOM 157 CA PHE 141 15.030 26.361 38.941 1.00 1.00 ATOM 158 CA ASN 142 17.059 24.371 36.408 1.00 1.00 ATOM 159 CA LYS 143 19.403 22.447 38.692 1.00 1.00 ATOM 160 CA ASN 144 21.080 19.082 39.138 1.00 1.00 ATOM 161 CA GLY 145 19.565 17.055 41.975 1.00 1.00 ATOM 162 CA ASP 146 22.454 14.771 42.952 1.00 1.00 ATOM 163 CA LEU 152 24.899 15.086 45.855 1.00 1.00 ATOM 164 CA ASP 153 27.863 15.678 43.543 1.00 1.00 ATOM 165 CA ASN 154 26.212 18.969 42.544 1.00 1.00 ATOM 166 CA VAL 155 25.056 20.160 45.970 1.00 1.00 ATOM 167 CA ALA 156 27.151 22.043 48.523 1.00 1.00 ATOM 168 CA ILE 157 26.457 23.589 51.913 1.00 1.00 ATOM 169 CA THR 158 28.424 26.257 53.780 1.00 1.00 ATOM 170 CA GLY 159 27.872 28.966 56.359 1.00 1.00 ATOM 171 CA HIS 160 29.163 31.276 59.065 1.00 1.00 ATOM 172 CA SER 161 28.895 30.945 62.860 1.00 1.00 ATOM 173 CA MET 162 25.556 29.299 63.694 1.00 1.00 ATOM 174 CA GLY 163 25.308 28.705 59.951 1.00 1.00 ATOM 175 CA GLY 164 28.702 27.034 60.021 1.00 1.00 ATOM 176 CA TYR 165 27.503 24.823 62.838 1.00 1.00 ATOM 177 CA GLY 166 24.483 23.848 60.746 1.00 1.00 ATOM 178 CA ALA 167 26.755 23.127 57.765 1.00 1.00 ATOM 179 CA ILE 168 28.725 20.645 59.889 1.00 1.00 ATOM 180 CA CYS 169 25.553 19.141 61.361 1.00 1.00 ATOM 181 CA GLY 170 23.433 18.925 58.221 1.00 1.00 ATOM 182 CA TYR 171 26.246 18.109 55.827 1.00 1.00 ATOM 183 CA LEU 172 28.076 15.407 57.764 1.00 1.00 ATOM 184 CA LYS 173 24.891 13.603 58.808 1.00 1.00 ATOM 185 CA GLY 174 23.509 13.764 55.263 1.00 1.00 ATOM 186 CA GLY 177 26.480 12.835 53.103 1.00 1.00 ATOM 187 CA LYS 178 23.948 11.176 50.815 1.00 1.00 ATOM 188 CA ARG 179 22.850 14.724 49.925 1.00 1.00 ATOM 189 CA TYR 180 26.008 16.878 50.171 1.00 1.00 ATOM 190 CA LYS 181 29.504 16.267 48.768 1.00 1.00 ATOM 191 CA SER 182 31.031 19.646 49.711 1.00 1.00 ATOM 192 CA CYS 183 30.837 21.242 53.170 1.00 1.00 ATOM 193 CA SER 184 32.309 24.579 54.252 1.00 1.00 ATOM 194 CA ALA 185 31.919 25.609 57.921 1.00 1.00 ATOM 195 CA PHE 186 33.363 29.051 58.692 1.00 1.00 ATOM 196 CA ALA 187 33.759 30.076 62.353 1.00 1.00 ATOM 197 CA PRO 188 31.365 27.286 63.389 1.00 1.00 ATOM 198 CA ILE 189 29.387 28.073 66.555 1.00 1.00 ATOM 199 CA VAL 190 28.629 25.915 69.663 1.00 1.00 ATOM 200 CA ASN 191 25.575 24.349 67.995 1.00 1.00 ATOM 201 CA PRO 192 28.073 22.116 66.182 1.00 1.00 ATOM 202 CA SER 193 27.299 18.489 67.151 1.00 1.00 ATOM 203 CA ASN 194 29.806 16.459 69.215 1.00 1.00 ATOM 204 CA PHE 202 32.358 14.650 67.025 1.00 1.00 ATOM 205 CA LYS 203 30.702 11.277 67.659 1.00 1.00 ATOM 206 CA GLY 204 27.454 12.572 66.194 1.00 1.00 ATOM 207 CA TYR 205 29.178 14.172 63.193 1.00 1.00 ATOM 208 CA LEU 206 31.087 10.949 62.409 1.00 1.00 ATOM 209 CA GLY 207 29.048 8.046 63.902 1.00 1.00 ATOM 210 CA GLU 208 30.879 5.569 61.649 1.00 1.00 ATOM 211 CA GLU 209 34.347 6.680 62.677 1.00 1.00 ATOM 212 CA LYS 210 34.396 8.709 59.485 1.00 1.00 ATOM 213 CA ALA 211 33.803 5.912 56.965 1.00 1.00 ATOM 214 CA GLN 212 31.266 7.799 54.842 1.00 1.00 ATOM 215 CA TRP 213 33.267 11.019 55.135 1.00 1.00 ATOM 216 CA GLU 214 36.494 9.472 53.797 1.00 1.00 ATOM 217 CA ALA 215 34.773 7.818 50.852 1.00 1.00 ATOM 218 CA TYR 216 31.960 10.203 49.901 1.00 1.00 ATOM 219 CA ASP 217 32.929 13.709 51.022 1.00 1.00 ATOM 220 CA PRO 218 34.710 15.536 48.207 1.00 1.00 ATOM 221 CA ARG 232 35.544 18.612 50.274 1.00 1.00 ATOM 222 CA ILE 233 35.414 19.472 53.977 1.00 1.00 ATOM 223 CA LEU 234 36.622 23.070 54.328 1.00 1.00 ATOM 224 CA ILE 235 36.942 24.384 57.894 1.00 1.00 ATOM 225 CA HIS 236 38.042 28.012 58.353 1.00 1.00 ATOM 226 CA VAL 237 38.182 30.521 61.223 1.00 1.00 ATOM 227 CA GLY 238 39.941 33.668 62.440 1.00 1.00 ATOM 228 CA ASP 239 42.504 33.127 65.212 1.00 1.00 ATOM 229 CA SER 240 40.954 35.914 67.288 1.00 1.00 ATOM 230 CA ASP 241 37.493 34.365 67.148 1.00 1.00 ATOM 231 CA PRO 242 36.256 33.241 70.563 1.00 1.00 ATOM 232 CA PHE 243 34.520 30.276 68.920 1.00 1.00 ATOM 233 CA LEU 244 37.661 28.932 67.253 1.00 1.00 ATOM 234 CA GLU 245 37.573 25.928 69.596 1.00 1.00 ATOM 235 CA LYS 249 34.654 24.197 67.878 1.00 1.00 ATOM 236 CA PRO 250 36.061 23.947 64.377 1.00 1.00 ATOM 237 CA GLU 251 39.326 23.164 66.115 1.00 1.00 ATOM 238 CA LEU 252 37.973 20.067 67.843 1.00 1.00 ATOM 239 CA LEU 253 36.394 18.788 64.637 1.00 1.00 ATOM 240 CA LEU 254 39.768 19.288 62.917 1.00 1.00 ATOM 241 CA GLU 255 41.551 17.398 65.690 1.00 1.00 ATOM 242 CA ALA 256 39.094 14.508 65.356 1.00 1.00 ATOM 243 CA VAL 257 39.615 14.389 61.588 1.00 1.00 ATOM 244 CA LYS 258 43.377 14.251 62.034 1.00 1.00 ATOM 245 CA ALA 259 43.209 11.481 64.638 1.00 1.00 ATOM 246 CA THR 260 40.752 9.507 62.507 1.00 1.00 ATOM 247 CA SER 261 42.441 10.052 59.137 1.00 1.00 ATOM 248 CA TRP 262 39.655 12.107 57.587 1.00 1.00 ATOM 249 CA TYR 265 40.858 14.274 54.709 1.00 1.00 ATOM 250 CA VAL 266 39.935 17.948 54.990 1.00 1.00 ATOM 251 CA GLU 267 41.254 21.483 54.760 1.00 1.00 ATOM 252 CA ILE 268 41.693 23.488 57.968 1.00 1.00 ATOM 253 CA LYS 269 42.538 27.140 57.396 1.00 1.00 ATOM 254 CA LYS 270 43.184 29.785 60.023 1.00 1.00 ATOM 255 CA VAL 271 43.157 33.473 59.195 1.00 1.00 ATOM 256 CA HIS 272 45.818 35.005 61.418 1.00 1.00 ATOM 257 CA GLY 273 44.339 37.746 63.573 1.00 1.00 ATOM 258 CA PHE 274 40.941 37.284 61.963 1.00 1.00 ATOM 259 CA ASP 275 37.838 38.055 63.988 1.00 1.00 ATOM 260 CA HIS 276 34.155 37.145 64.060 1.00 1.00 ATOM 261 CA SER 277 33.304 39.312 61.051 1.00 1.00 ATOM 262 CA TYR 278 32.988 39.386 57.273 1.00 1.00 ATOM 263 CA TYR 279 36.713 40.029 56.867 1.00 1.00 ATOM 264 CA PHE 280 36.929 36.301 57.614 1.00 1.00 ATOM 265 CA VAL 281 33.642 35.098 56.160 1.00 1.00 ATOM 266 CA SER 282 34.175 36.730 52.753 1.00 1.00 ATOM 267 CA THR 283 37.644 35.213 52.235 1.00 1.00 ATOM 268 CA PHE 284 36.154 31.929 53.420 1.00 1.00 ATOM 269 CA VAL 285 33.481 31.997 50.720 1.00 1.00 ATOM 270 CA PRO 286 35.960 33.133 48.053 1.00 1.00 ATOM 271 CA GLU 287 38.160 30.133 48.830 1.00 1.00 ATOM 272 CA HIS 288 35.333 27.623 49.306 1.00 1.00 ATOM 273 CA ALA 289 33.781 28.445 45.933 1.00 1.00 ATOM 274 CA GLU 290 37.076 27.753 44.164 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Aug 26 12:42:08 2002 Date: Mon, 26 Aug 2002 12:42:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0195 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 26 12:13:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_281722_34774 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0195TS007_5 Current information on models submitted in prediction T0195TS007 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_5 PIN_281722_34774 6269-7633-6117 08/26/02 12:13:13 casp5@bialko.llnl.gov T0195TS007_4 PIN_233208_34761 6269-7633-6117 08/26/02 12:08:30 casp5@bialko.llnl.gov T0195TS007_2 PIN_198174_34750 6269-7633-6117 08/26/02 12:04:59 casp5@bialko.llnl.gov T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 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 T0195 MODEL_INDEX PIN CODE DATE E-mail T0195TS007_1 PIN_195034_34749 6269-7633-6117 08/26/02 12:04:39 casp5@bialko.llnl.gov T0195TS007_2 PIN_198174_34750 6269-7633-6117 08/26/02 12:04:59 casp5@bialko.llnl.gov T0195TS007_3 PIN_152625_34736 6269-7633-6117 08/26/02 12:00:07 casp5@bialko.llnl.gov T0195TS007_4 PIN_233208_34761 6269-7633-6117 08/26/02 12:08:30 casp5@bialko.llnl.gov T0195TS007_5 PIN_281722_34774 6269-7633-6117 08/26/02 12:13:13 casp5@bialko.llnl.gov T0195SS007_1 PIN_610653_28476 6269-7633-6117 08/19/02 21:47:58 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 T0195 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1JT2_A # Loading PARENT structure: 1jt2 (chain: A) # Number of residues in PARENT structure: 255 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 C 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue L 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue K 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue H 19 # IMPORTANT NOTE! Not complete main chain atoms for residue N 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue N 22 # IMPORTANT NOTE! Not complete main chain atoms for residue S 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue S 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue K 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 44 # IMPORTANT NOTE! Not complete main chain atoms for residue R 45 # IMPORTANT NOTE! Not complete main chain atoms for residue N 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue D 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue A 69 # IMPORTANT NOTE! Not complete main chain atoms for residue F 70 # IMPORTANT NOTE! Not complete main chain atoms for residue W 71 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue G 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue F 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue S 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue E 93 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue H 122 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 123 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue H 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue T 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue H 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue N 142 # IMPORTANT NOTE! Not complete main chain atoms for residue K 143 # IMPORTANT NOTE! Not complete main chain atoms for residue N 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue D 146 # IMPORTANT NOTE! Not complete main chain atoms for residue L 152 # IMPORTANT NOTE! Not complete main chain atoms for residue D 153 # IMPORTANT NOTE! Not complete main chain atoms for residue N 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue H 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue M 162 # IMPORTANT NOTE! Not complete main chain atoms for residue G 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue C 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue C 183 # IMPORTANT NOTE! Not complete main chain atoms for residue S 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 185 # IMPORTANT NOTE! Not complete main chain atoms for residue F 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue P 188 # IMPORTANT NOTE! Not complete main chain atoms for residue I 189 # IMPORTANT NOTE! Not complete main chain atoms for residue V 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue P 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue V 195 # IMPORTANT NOTE! Not complete main chain atoms for residue P 196 # IMPORTANT NOTE! Not complete main chain atoms for residue W 197 # IMPORTANT NOTE! Not complete main chain atoms for residue G 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 199 # IMPORTANT NOTE! Not complete main chain atoms for residue K 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue E 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue I 235 # IMPORTANT NOTE! Not complete main chain atoms for residue H 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue G 238 # IMPORTANT NOTE! Not complete main chain atoms for residue D 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue F 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue H 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue P 250 # IMPORTANT NOTE! Not complete main chain atoms for residue E 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 265 # IMPORTANT NOTE! Not complete main chain atoms for residue V 266 # IMPORTANT NOTE! Not complete main chain atoms for residue E 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue H 272 # IMPORTANT NOTE! Not complete main chain atoms for residue G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue F 274 # IMPORTANT NOTE! Not complete main chain atoms for residue D 275 # IMPORTANT NOTE! Not complete main chain atoms for residue H 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 278 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 279 # IMPORTANT NOTE! Not complete main chain atoms for residue F 280 # IMPORTANT NOTE! Not complete main chain atoms for residue V 281 # IMPORTANT NOTE! Not complete main chain atoms for residue S 282 # IMPORTANT NOTE! Not complete main chain atoms for residue T 283 # IMPORTANT NOTE! Not complete main chain atoms for residue F 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue H 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue F 291 # IMPORTANT NOTE! Not complete main chain atoms for residue H 292 # IMPORTANT NOTE! Not complete main chain atoms for residue A 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0195 # Total number of residues in target: 299 # Total number of residues in model: 225 # Total number of atoms in model: 225 # Number of atoms with 1.0 occupancy: 225 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 225 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0195 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1JT2_A ATOM 46 CA VAL 9 -43.133 -33.728 -17.516 1.00 1.00 ATOM 47 CA CYS 10 -41.801 -32.033 -14.342 1.00 1.00 ATOM 48 CA GLY 11 -44.298 -32.309 -11.494 1.00 1.00 ATOM 49 CA GLY 12 -44.860 -29.995 -8.570 1.00 1.00 ATOM 50 CA ARG 13 -45.235 -31.251 -5.021 1.00 1.00 ATOM 51 CA LEU 14 -48.659 -31.106 -3.351 1.00 1.00 ATOM 52 CA ILE 15 -47.999 -30.782 0.383 1.00 1.00 ATOM 53 CA LYS 16 -50.359 -31.259 3.337 1.00 1.00 ATOM 54 CA LEU 17 -50.395 -28.510 5.966 1.00 1.00 ATOM 55 CA SER 18 -52.313 -27.606 9.108 1.00 1.00 ATOM 56 CA HIS 19 -52.558 -24.094 10.504 1.00 1.00 ATOM 57 CA ASN 20 -54.004 -22.545 13.629 1.00 1.00 ATOM 58 CA SER 21 -57.141 -20.556 12.901 1.00 1.00 ATOM 59 CA ASN 22 -58.097 -17.654 15.146 1.00 1.00 ATOM 60 CA SER 23 -61.463 -17.817 13.371 1.00 1.00 ATOM 61 CA THR 24 -62.291 -21.319 14.641 1.00 1.00 ATOM 62 CA LYS 25 -59.878 -21.539 17.594 1.00 1.00 ATOM 63 CA THR 26 -58.638 -24.827 16.161 1.00 1.00 ATOM 64 CA SER 27 -56.126 -26.320 13.751 1.00 1.00 ATOM 65 CA MET 28 -57.405 -26.545 10.162 1.00 1.00 ATOM 66 CA ASN 29 -56.161 -28.441 7.068 1.00 1.00 ATOM 67 CA VAL 30 -55.106 -27.304 3.612 1.00 1.00 ATOM 68 CA ASN 31 -53.058 -28.518 0.666 1.00 1.00 ATOM 69 CA ILE 32 -50.388 -26.536 -1.137 1.00 1.00 ATOM 70 CA TYR 33 -49.117 -27.082 -4.670 1.00 1.00 ATOM 71 CA LEU 34 -45.455 -26.124 -5.003 1.00 1.00 ATOM 72 CA PRO 35 -44.290 -25.946 -8.649 1.00 1.00 ATOM 73 CA LYS 36 -41.620 -28.333 -10.073 1.00 1.00 ATOM 74 CA HIS 37 -38.698 -26.056 -9.351 1.00 1.00 ATOM 75 CA TYR 38 -40.005 -24.325 -6.246 1.00 1.00 ATOM 76 CA PRO 44 -36.997 -22.652 -4.637 1.00 1.00 ATOM 77 CA ARG 45 -36.947 -20.428 -1.554 1.00 1.00 ATOM 78 CA ASN 46 -34.434 -18.283 -3.442 1.00 1.00 ATOM 79 CA LYS 47 -37.272 -17.155 -5.719 1.00 1.00 ATOM 80 CA ARG 48 -40.666 -15.541 -5.077 1.00 1.00 ATOM 81 CA ILE 49 -44.029 -16.910 -6.218 1.00 1.00 ATOM 82 CA PRO 50 -47.593 -15.697 -6.577 1.00 1.00 ATOM 83 CA THR 51 -50.441 -17.548 -4.884 1.00 1.00 ATOM 84 CA VAL 52 -53.869 -18.689 -6.010 1.00 1.00 ATOM 85 CA PHE 53 -56.327 -19.646 -3.277 1.00 1.00 ATOM 86 CA TYR 54 -58.648 -22.227 -4.882 1.00 1.00 ATOM 87 CA LEU 55 -61.975 -23.016 -3.170 1.00 1.00 ATOM 88 CA SER 56 -64.112 -26.173 -3.294 1.00 1.00 ATOM 89 CA GLY 57 -67.896 -26.628 -3.259 1.00 1.00 ATOM 90 CA LEU 58 -70.415 -27.188 -0.480 1.00 1.00 ATOM 91 CA THR 59 -69.550 -30.072 1.836 1.00 1.00 ATOM 92 CA CYS 60 -66.228 -30.540 0.069 1.00 1.00 ATOM 93 CA THR 61 -62.630 -30.598 1.262 1.00 1.00 ATOM 94 CA PRO 62 -59.106 -29.381 0.591 1.00 1.00 ATOM 95 CA ASP 63 -58.602 -32.528 -1.533 1.00 1.00 ATOM 96 CA ASN 64 -61.389 -31.828 -4.068 1.00 1.00 ATOM 97 CA ALA 65 -59.329 -29.644 -6.374 1.00 1.00 ATOM 98 CA SER 66 -56.592 -32.269 -6.481 1.00 1.00 ATOM 99 CA GLU 67 -57.211 -36.036 -6.256 1.00 1.00 ATOM 100 CA LYS 68 -60.892 -35.314 -5.628 1.00 1.00 ATOM 101 CA ALA 69 -61.440 -34.437 -9.278 1.00 1.00 ATOM 102 CA PHE 70 -59.833 -31.070 -9.920 1.00 1.00 ATOM 103 CA TRP 71 -56.349 -32.363 -10.798 1.00 1.00 ATOM 104 CA GLN 72 -55.147 -28.784 -10.278 1.00 1.00 ATOM 105 CA PHE 73 -51.519 -29.923 -9.923 1.00 1.00 ATOM 106 CA GLN 74 -51.597 -31.797 -13.250 1.00 1.00 ATOM 107 CA ALA 75 -53.234 -28.871 -15.049 1.00 1.00 ATOM 108 CA ASP 76 -50.617 -26.520 -13.579 1.00 1.00 ATOM 109 CA LYS 77 -47.687 -28.863 -14.323 1.00 1.00 ATOM 118 CA TYR 78 -45.022 -19.092 -15.084 1.00 1.00 ATOM 119 CA GLY 79 -44.625 -21.235 -11.947 1.00 1.00 ATOM 120 CA PHE 80 -46.914 -20.281 -9.049 1.00 1.00 ATOM 121 CA ALA 81 -48.302 -21.746 -5.838 1.00 1.00 ATOM 122 CA ILE 82 -51.879 -22.974 -5.431 1.00 1.00 ATOM 123 CA VAL 83 -53.518 -23.349 -2.012 1.00 1.00 ATOM 124 CA PHE 84 -56.691 -25.322 -1.334 1.00 1.00 ATOM 125 CA PRO 85 -58.335 -24.795 2.051 1.00 1.00 ATOM 126 CA ASP 86 -61.401 -26.329 3.660 1.00 1.00 ATOM 127 CA THR 87 -64.064 -23.669 3.026 1.00 1.00 ATOM 128 CA SER 88 -66.397 -24.635 5.875 1.00 1.00 ATOM 129 CA PRO 89 -64.711 -22.939 8.840 1.00 1.00 ATOM 130 CA ARG 90 -67.221 -24.372 11.293 1.00 1.00 ATOM 131 CA GLY 91 -66.841 -25.058 14.995 1.00 1.00 ATOM 132 CA ASP 92 -68.304 -24.373 18.455 1.00 1.00 ATOM 133 CA GLU 93 -69.733 -20.864 18.758 1.00 1.00 ATOM 134 CA VAL 94 -69.793 -20.431 14.986 1.00 1.00 ATOM 135 CA ALA 95 -73.139 -20.091 13.210 1.00 1.00 ATOM 136 CA ASN 96 -72.136 -20.111 9.523 1.00 1.00 ATOM 137 CA GLN 121 -68.793 -21.719 8.763 1.00 1.00 ATOM 138 CA HIS 122 -68.814 -20.694 5.101 1.00 1.00 ATOM 139 CA TYR 123 -69.186 -17.036 6.061 1.00 1.00 ATOM 140 CA GLN 124 -66.685 -17.463 8.928 1.00 1.00 ATOM 141 CA MET 125 -64.246 -18.694 6.263 1.00 1.00 ATOM 142 CA TYR 126 -63.626 -15.120 5.130 1.00 1.00 ATOM 143 CA ASP 127 -61.807 -14.266 8.378 1.00 1.00 ATOM 144 CA TYR 128 -60.110 -17.662 8.451 1.00 1.00 ATOM 145 CA ILE 129 -58.612 -17.080 5.005 1.00 1.00 ATOM 146 CA HIS 130 -57.615 -13.444 5.499 1.00 1.00 ATOM 147 CA LYS 131 -56.400 -13.598 9.104 1.00 1.00 ATOM 148 CA GLU 132 -55.027 -17.110 9.532 1.00 1.00 ATOM 149 CA LEU 133 -54.391 -19.028 6.307 1.00 1.00 ATOM 150 CA PRO 134 -52.836 -16.184 4.326 1.00 1.00 ATOM 151 CA GLN 135 -50.431 -15.307 7.174 1.00 1.00 ATOM 152 CA THR 136 -49.479 -19.001 7.507 1.00 1.00 ATOM 153 CA LEU 137 -48.751 -19.351 3.787 1.00 1.00 ATOM 154 CA ASP 138 -46.765 -16.117 3.566 1.00 1.00 ATOM 155 CA SER 139 -44.641 -17.088 6.565 1.00 1.00 ATOM 156 CA HIS 140 -43.880 -20.655 5.450 1.00 1.00 ATOM 157 CA PHE 141 -43.429 -20.172 1.695 1.00 1.00 ATOM 158 CA ASN 142 -41.443 -17.709 -0.427 1.00 1.00 ATOM 159 CA LYS 143 -44.335 -15.711 -1.810 1.00 1.00 ATOM 160 CA ASN 144 -45.209 -12.159 -2.750 1.00 1.00 ATOM 161 CA GLY 145 -47.549 -10.531 -0.246 1.00 1.00 ATOM 162 CA ASP 146 -49.318 -7.923 -2.388 1.00 1.00 ATOM 163 CA LEU 152 -52.676 -7.889 -4.191 1.00 1.00 ATOM 164 CA ASP 153 -51.041 -7.907 -7.642 1.00 1.00 ATOM 165 CA ASN 154 -49.692 -11.381 -6.836 1.00 1.00 ATOM 166 CA VAL 155 -52.719 -12.918 -5.113 1.00 1.00 ATOM 167 CA ALA 156 -55.760 -14.541 -6.727 1.00 1.00 ATOM 168 CA ILE 157 -58.916 -16.309 -5.581 1.00 1.00 ATOM 169 CA THR 158 -61.094 -18.729 -7.559 1.00 1.00 ATOM 170 CA GLY 159 -63.494 -21.557 -6.856 1.00 1.00 ATOM 171 CA HIS 160 -66.357 -23.802 -7.885 1.00 1.00 ATOM 172 CA SER 161 -70.012 -23.409 -6.903 1.00 1.00 ATOM 173 CA MET 162 -70.181 -22.539 -3.187 1.00 1.00 ATOM 174 CA GLY 163 -66.483 -21.734 -3.579 1.00 1.00 ATOM 175 CA GLY 164 -67.246 -19.603 -6.615 1.00 1.00 ATOM 176 CA TYR 165 -69.710 -17.720 -4.453 1.00 1.00 ATOM 177 CA GLY 166 -67.050 -17.246 -1.796 1.00 1.00 ATOM 178 CA ALA 167 -64.646 -16.040 -4.510 1.00 1.00 ATOM 179 CA ILE 168 -67.133 -13.334 -5.542 1.00 1.00 ATOM 180 CA CYS 169 -67.855 -12.482 -1.898 1.00 1.00 ATOM 181 CA GLY 170 -64.303 -12.438 -0.532 1.00 1.00 ATOM 182 CA TYR 171 -62.638 -11.132 -3.674 1.00 1.00 ATOM 183 CA LEU 172 -64.944 -8.216 -4.463 1.00 1.00 ATOM 184 CA LYS 173 -65.215 -6.992 -0.858 1.00 1.00 ATOM 185 CA GLY 174 -61.433 -7.265 -0.476 1.00 1.00 ATOM 186 CA GLY 177 -60.061 -5.729 -3.668 1.00 1.00 ATOM 187 CA LYS 178 -57.112 -4.473 -1.623 1.00 1.00 ATOM 188 CA ARG 179 -56.081 -8.126 -1.243 1.00 1.00 ATOM 189 CA TYR 180 -57.037 -9.741 -4.562 1.00 1.00 ATOM 190 CA LYS 181 -56.550 -8.477 -8.128 1.00 1.00 ATOM 191 CA SER 182 -57.729 -11.660 -9.877 1.00 1.00 ATOM 192 CA CYS 183 -61.027 -13.398 -9.138 1.00 1.00 ATOM 193 CA SER 184 -62.341 -16.516 -10.864 1.00 1.00 ATOM 194 CA ALA 185 -65.810 -17.735 -9.788 1.00 1.00 ATOM 195 CA PHE 186 -66.938 -20.870 -11.657 1.00 1.00 ATOM 196 CA ALA 187 -70.580 -21.975 -11.417 1.00 1.00 ATOM 197 CA PRO 188 -71.014 -19.553 -8.490 1.00 1.00 ATOM 198 CA ILE 189 -73.739 -20.652 -6.059 1.00 1.00 ATOM 199 CA VAL 190 -76.633 -18.738 -4.376 1.00 1.00 ATOM 200 CA ASN 191 -74.355 -17.828 -1.473 1.00 1.00 ATOM 201 CA PRO 192 -73.040 -15.115 -3.803 1.00 1.00 ATOM 202 CA SER 193 -73.856 -11.739 -2.171 1.00 1.00 ATOM 203 CA ASN 194 -76.463 -9.451 -3.773 1.00 1.00 ATOM 204 CA VAL 195 -74.991 -7.005 -6.310 1.00 1.00 ATOM 205 CA PRO 196 -75.318 -4.087 -3.875 1.00 1.00 ATOM 206 CA TRP 197 -73.101 -5.912 -1.393 1.00 1.00 ATOM 207 CA GLY 198 -70.525 -7.093 -3.950 1.00 1.00 ATOM 208 CA GLN 199 -70.220 -3.565 -5.346 1.00 1.00 ATOM 209 CA LYS 200 -71.225 -1.222 -2.473 1.00 1.00 ATOM 210 CA ALA 201 -69.594 1.677 -4.323 1.00 1.00 ATOM 211 CA PHE 202 -71.357 1.092 -7.629 1.00 1.00 ATOM 212 CA LYS 203 -68.255 -0.691 -8.881 1.00 1.00 ATOM 213 CA GLY 204 -65.784 2.170 -8.495 1.00 1.00 ATOM 214 CA TYR 205 -63.103 0.141 -6.702 1.00 1.00 ATOM 215 CA LEU 206 -63.556 -2.700 -9.188 1.00 1.00 ATOM 216 CA GLY 207 -63.019 -0.509 -12.255 1.00 1.00 ATOM 217 CA GLU 208 -59.816 0.823 -10.702 1.00 1.00 ATOM 218 CA GLU 209 -58.255 -2.207 -9.019 1.00 1.00 ATOM 219 CA LYS 210 -59.675 -5.380 -10.572 1.00 1.00 ATOM 220 CA ALA 211 -57.240 -6.814 -13.133 1.00 1.00 ATOM 221 CA GLN 212 -59.241 -9.940 -13.967 1.00 1.00 ATOM 222 CA ILE 233 -62.799 -10.987 -13.171 1.00 1.00 ATOM 223 CA LEU 234 -63.276 -14.389 -14.831 1.00 1.00 ATOM 224 CA ILE 235 -66.841 -15.708 -14.605 1.00 1.00 ATOM 225 CA HIS 236 -67.533 -19.142 -16.109 1.00 1.00 ATOM 226 CA VAL 237 -70.331 -21.718 -15.948 1.00 1.00 ATOM 227 CA GLY 238 -71.787 -24.666 -17.849 1.00 1.00 ATOM 228 CA ASP 239 -74.763 -23.879 -20.089 1.00 1.00 ATOM 229 CA SER 240 -76.666 -26.798 -18.512 1.00 1.00 ATOM 230 CA ASP 241 -76.043 -25.787 -14.889 1.00 1.00 ATOM 231 CA PRO 242 -79.239 -24.940 -13.000 1.00 1.00 ATOM 232 CA PHE 243 -77.277 -22.329 -11.010 1.00 1.00 ATOM 233 CA LEU 244 -76.274 -20.374 -14.127 1.00 1.00 ATOM 234 CA GLU 245 -78.462 -17.436 -13.077 1.00 1.00 ATOM 235 CA GLU 246 -76.242 -16.281 -10.223 1.00 1.00 ATOM 236 CA HIS 247 -73.114 -15.746 -12.277 1.00 1.00 ATOM 237 CA LEU 248 -75.367 -14.290 -14.980 1.00 1.00 ATOM 238 CA LYS 249 -76.699 -11.746 -12.471 1.00 1.00 ATOM 239 CA PRO 250 -73.215 -10.474 -11.645 1.00 1.00 ATOM 240 CA GLU 251 -72.374 -10.407 -15.344 1.00 1.00 ATOM 241 CA LEU 252 -75.389 -8.207 -16.055 1.00 1.00 ATOM 242 CA LEU 253 -74.451 -5.826 -13.232 1.00 1.00 ATOM 243 CA LEU 254 -70.903 -5.538 -14.593 1.00 1.00 ATOM 244 CA GLU 255 -72.234 -4.753 -18.073 1.00 1.00 ATOM 245 CA SER 261 -74.607 -2.108 -16.720 1.00 1.00 ATOM 246 CA TRP 262 -71.888 -0.584 -14.551 1.00 1.00 ATOM 247 CA GLN 263 -68.947 -0.779 -16.952 1.00 1.00 ATOM 248 CA ASP 264 -66.912 -3.360 -15.048 1.00 1.00 ATOM 249 CA TYR 265 -64.551 -5.209 -17.379 1.00 1.00 ATOM 250 CA VAL 266 -64.685 -8.979 -17.047 1.00 1.00 ATOM 251 CA GLU 267 -64.624 -12.268 -18.923 1.00 1.00 ATOM 252 CA ILE 268 -67.873 -14.234 -19.176 1.00 1.00 ATOM 253 CA LYS 269 -67.375 -17.697 -20.647 1.00 1.00 ATOM 254 CA LYS 270 -70.004 -20.417 -20.876 1.00 1.00 ATOM 255 CA VAL 271 -68.949 -24.029 -21.321 1.00 1.00 ATOM 256 CA HIS 272 -71.300 -25.293 -24.033 1.00 1.00 ATOM 257 CA GLY 273 -73.129 -28.387 -22.813 1.00 1.00 ATOM 258 CA PHE 274 -71.400 -28.195 -19.448 1.00 1.00 ATOM 259 CA ASP 275 -73.034 -29.232 -16.203 1.00 1.00 ATOM 260 CA HIS 276 -72.299 -28.925 -12.488 1.00 1.00 ATOM 261 CA SER 277 -69.161 -31.084 -12.564 1.00 1.00 ATOM 262 CA TYR 278 -65.399 -31.122 -13.076 1.00 1.00 ATOM 263 CA TYR 279 -65.730 -31.133 -16.843 1.00 1.00 ATOM 264 CA PHE 280 -66.612 -27.484 -16.359 1.00 1.00 ATOM 265 CA VAL 281 -64.416 -26.746 -13.347 1.00 1.00 ATOM 266 CA SER 282 -61.204 -28.180 -14.798 1.00 1.00 ATOM 267 CA THR 283 -61.547 -26.252 -18.086 1.00 1.00 ATOM 268 CA PHE 284 -62.412 -23.243 -15.951 1.00 1.00 ATOM 269 CA VAL 285 -59.170 -23.493 -13.982 1.00 1.00 ATOM 270 CA PRO 286 -57.156 -24.136 -17.156 1.00 1.00 ATOM 271 CA GLU 287 -58.408 -20.872 -18.662 1.00 1.00 ATOM 272 CA HIS 288 -58.228 -18.857 -15.444 1.00 1.00 ATOM 273 CA ALA 289 -54.578 -19.710 -14.751 1.00 1.00 ATOM 274 CA GLU 290 -53.579 -18.530 -18.229 1.00 1.00 ATOM 275 CA PHE 291 -55.752 -15.420 -18.244 1.00 1.00 ATOM 276 CA HIS 292 -54.509 -14.461 -14.765 1.00 1.00 ATOM 277 CA ALA 293 -50.937 -15.028 -15.960 1.00 1.00 ATOM 278 CA ARG 294 -51.611 -12.793 -18.973 1.00 1.00 TER END ################################ # # # END # # # ################################