From mailer@bialko.llnl.gov Fri Jul 19 15:59:00 2002 Date: Fri, 19 Jul 2002 15:58:54 -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 Fri Jul 19 15:31:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_431704_12798 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159SS007_1 Current information on models submitted in prediction T0159SS007 MODEL_INDEX PIN CODE DATE E-mail T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0159 MODEL_INDEX PIN CODE DATE E-mail T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0159 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: 309 # Number of residues with nonzero confidence: 309 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0159 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-31607.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-15239//target-align-15239.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 37.4428 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-31607.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc57.21667/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Thu Jul 18 21:13:38 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-15239//target-align-15239.a2m METHOD METHOD guide seq name: seed-seqs-31607.a2m(1), 309 bases, B2C9554B checksum. METHOD ###end 0 MODEL 1 A C 0.516 D C 0.562 L C 0.62 P C 0.641 G C 0.636 K C 0.649 G C 0.674 I C 0.597 T E 0.487 V E 0.596 N E 0.604 P E 0.612 V E 0.56 Q E 0.521 S E 0.418 T C 0.573 I C 0.445 T H 0.459 E H 0.554 E H 0.544 T H 0.576 F H 0.613 Q H 0.639 T H 0.682 L H 0.702 L H 0.71 V H 0.722 S H 0.738 R H 0.73 A H 0.723 L H 0.728 E H 0.717 K H 0.685 L H 0.58 G C 0.711 Y C 0.695 T C 0.471 V E 0.522 N E 0.494 K E 0.407 P C 0.555 S C 0.487 E C 0.462 V C 0.495 D C 0.528 Y C 0.455 N H 0.411 V H 0.5 G H 0.518 Y H 0.572 T H 0.588 S H 0.584 L H 0.576 A H 0.545 S H 0.492 G C 0.682 D C 0.643 A C 0.416 T E 0.368 F E 0.513 T E 0.495 A E 0.428 V C 0.361 N C 0.439 W C 0.457 T C 0.564 P C 0.593 L C 0.569 H C 0.467 D H 0.515 N H 0.61 M H 0.628 Y H 0.658 E H 0.672 A H 0.679 A H 0.656 G H 0.611 G H 0.542 D C 0.468 K C 0.619 K C 0.519 F E 0.409 Y E 0.466 R E 0.427 E C 0.387 G C 0.541 V C 0.506 F C 0.468 V C 0.483 N C 0.556 G C 0.552 A C 0.475 A C 0.379 Q E 0.389 G E 0.38 Y E 0.424 L E 0.422 I C 0.481 D C 0.517 K H 0.429 K H 0.436 T H 0.414 A H 0.424 D C 0.515 Q C 0.623 Y C 0.633 K C 0.635 I C 0.549 T C 0.598 N C 0.6 I H 0.677 A H 0.674 Q H 0.66 L H 0.541 K C 0.488 D C 0.772 P C 0.578 K H 0.46 I H 0.543 A H 0.525 K H 0.489 L H 0.448 F C 0.383 D C 0.574 T C 0.582 N C 0.596 G C 0.578 D C 0.579 G C 0.593 K C 0.611 A C 0.563 D C 0.418 L E 0.516 T E 0.518 G E 0.447 C C 0.529 N C 0.679 P C 0.678 G C 0.659 W C 0.591 G C 0.526 C H 0.478 E H 0.514 G H 0.576 A H 0.599 I H 0.626 N H 0.678 H H 0.688 Q H 0.679 L H 0.675 A H 0.657 A H 0.641 Y H 0.457 E C 0.585 L C 0.589 T C 0.573 N C 0.57 T C 0.538 V E 0.448 T E 0.535 H E 0.547 N E 0.48 Q C 0.398 G C 0.559 N C 0.591 Y H 0.463 A H 0.548 A H 0.615 M H 0.654 M H 0.713 A H 0.741 D H 0.748 T H 0.747 I H 0.739 S H 0.743 R H 0.717 Y H 0.685 K H 0.635 E H 0.535 G C 0.688 K C 0.667 P C 0.491 V E 0.635 F E 0.696 Y E 0.69 Y E 0.656 T E 0.573 W E 0.453 T C 0.615 P C 0.582 Y C 0.444 W H 0.385 V H 0.384 S C 0.375 N C 0.45 E C 0.44 L C 0.497 K C 0.617 P C 0.649 G C 0.665 K C 0.59 D C 0.445 V E 0.477 V E 0.529 W E 0.555 L E 0.484 Q C 0.483 V C 0.667 P C 0.726 F C 0.642 S C 0.593 A C 0.59 L C 0.598 P C 0.666 G C 0.642 D C 0.527 K C 0.467 N C 0.5 A C 0.551 D C 0.667 T C 0.677 K C 0.674 L C 0.679 P C 0.663 N C 0.641 G C 0.595 A C 0.549 N C 0.525 Y C 0.544 G C 0.589 F C 0.605 P C 0.637 V C 0.524 S C 0.464 T C 0.355 M E 0.436 H E 0.484 I E 0.514 V E 0.475 A E 0.408 N H 0.376 K H 0.472 A H 0.488 W H 0.553 A H 0.561 E H 0.572 K H 0.538 N C 0.527 P H 0.582 A H 0.649 A H 0.707 A H 0.719 K H 0.725 L H 0.722 F H 0.719 A H 0.698 I H 0.672 M H 0.454 Q C 0.552 L C 0.58 P C 0.64 V H 0.647 A H 0.685 D H 0.703 I H 0.721 N H 0.725 A H 0.737 Q H 0.721 N H 0.713 A H 0.706 I H 0.692 M H 0.681 H H 0.615 A H 0.55 G C 0.609 A C 0.591 A C 0.51 S C 0.532 E C 0.467 G C 0.521 D C 0.559 I H 0.691 Q H 0.771 G H 0.79 H H 0.785 V H 0.792 D H 0.806 G H 0.802 W H 0.785 I H 0.783 K H 0.76 A H 0.72 H C 0.486 Q H 0.715 Q H 0.725 Q H 0.711 F H 0.7 D H 0.677 G H 0.671 W H 0.632 V H 0.531 N H 0.537 E H 0.603 A H 0.662 L H 0.662 A H 0.643 A H 0.514 Q C 0.549 K C 0.812 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:32:08 2002 Date: Wed, 14 Aug 2002 02:32:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:03:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_165485_22857 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS007_1 Current information on models submitted in prediction T0159TS007 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 casp5@bialko.llnl.gov T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1KWH_A # Loading PARENT structure: 1kwh (chain: A) # Number of residues in PARENT structure: 492 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue T 156 # IMPORTANT NOTE! Not complete main chain atoms for residue N 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue P 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 191 # IMPORTANT NOTE! Not complete main chain atoms for residue W 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue K 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue S 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue P 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue D 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue N 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue T 221 # IMPORTANT NOTE! Not complete main chain atoms for residue K 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue P 224 # IMPORTANT NOTE! Not complete main chain atoms for residue N 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue N 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue T 235 # IMPORTANT NOTE! Not complete main chain atoms for residue M 236 # IMPORTANT NOTE! Not complete main chain atoms for residue H 237 # IMPORTANT NOTE! Not complete main chain atoms for residue I 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue A 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue K 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # IMPORTANT NOTE! Not complete main chain atoms for residue A 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 95 # Total number of atoms in model: 95 # Number of atoms with 1.0 occupancy: 95 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 95 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1KWH_A ATOM 236 CA GLU 154 30.561 52.546 59.912 1.00 1.00 ATOM 237 CA LEU 155 29.212 49.567 57.979 1.00 1.00 ATOM 238 CA THR 156 32.707 48.166 57.740 1.00 1.00 ATOM 239 CA ASN 157 33.165 48.660 61.484 1.00 1.00 ATOM 240 CA THR 158 29.931 46.716 62.048 1.00 1.00 ATOM 241 CA VAL 159 31.084 43.839 59.860 1.00 1.00 ATOM 242 CA THR 160 28.438 44.429 57.180 1.00 1.00 ATOM 243 CA HIS 161 31.265 44.689 54.672 1.00 1.00 ATOM 244 CA ASN 162 33.720 41.856 54.042 1.00 1.00 ATOM 245 CA GLN 163 36.780 42.491 56.211 1.00 1.00 ATOM 246 CA GLY 164 38.968 41.293 53.333 1.00 1.00 ATOM 247 CA ASN 165 37.080 43.353 50.729 1.00 1.00 ATOM 248 CA TYR 166 40.337 44.906 49.500 1.00 1.00 ATOM 249 CA ALA 167 42.235 41.614 49.209 1.00 1.00 ATOM 250 CA ALA 168 39.883 38.678 48.484 1.00 1.00 ATOM 251 CA MET 169 39.221 39.727 44.876 1.00 1.00 ATOM 252 CA ALA 171 38.784 37.311 41.940 1.00 1.00 ATOM 253 CA ASP 172 37.248 34.248 43.621 1.00 1.00 ATOM 254 CA THR 173 35.205 36.177 46.199 1.00 1.00 ATOM 255 CA ILE 174 31.958 34.770 44.802 1.00 1.00 ATOM 256 CA SER 175 33.099 31.157 44.696 1.00 1.00 ATOM 257 CA ARG 176 34.558 31.429 48.199 1.00 1.00 ATOM 258 CA TYR 177 31.869 33.446 49.947 1.00 1.00 ATOM 259 CA LYS 178 28.895 32.024 48.056 1.00 1.00 ATOM 260 CA GLU 179 30.295 28.518 47.825 1.00 1.00 ATOM 261 CA GLY 180 30.997 28.637 51.544 1.00 1.00 ATOM 262 CA LYS 181 27.549 30.116 52.141 1.00 1.00 ATOM 263 CA PRO 182 28.913 33.191 53.979 1.00 1.00 ATOM 264 CA VAL 183 27.854 36.162 51.826 1.00 1.00 ATOM 265 CA PHE 184 24.377 37.380 50.937 1.00 1.00 ATOM 266 CA TYR 185 24.668 40.584 48.902 1.00 1.00 ATOM 267 CA TYR 186 26.812 41.963 46.075 1.00 1.00 ATOM 270 CA THR 187 27.538 41.544 36.397 1.00 1.00 ATOM 271 CA TRP 188 24.203 39.887 35.661 1.00 1.00 ATOM 272 CA THR 189 25.228 36.913 33.524 1.00 1.00 ATOM 273 CA PRO 190 28.115 35.468 35.534 1.00 1.00 ATOM 274 CA TYR 191 26.641 36.163 38.976 1.00 1.00 ATOM 275 CA TRP 192 23.351 34.412 38.222 1.00 1.00 ATOM 276 CA VAL 193 25.106 31.214 37.127 1.00 1.00 ATOM 277 CA SER 194 25.911 30.507 40.790 1.00 1.00 ATOM 278 CA ASN 195 22.259 29.633 41.318 1.00 1.00 ATOM 279 CA GLU 196 22.823 26.569 39.183 1.00 1.00 ATOM 280 CA LEU 197 26.461 25.823 40.003 1.00 1.00 ATOM 281 CA LYS 198 25.684 25.809 43.720 1.00 1.00 ATOM 282 CA PRO 199 22.335 24.007 43.742 1.00 1.00 ATOM 283 CA GLY 200 24.374 20.973 44.816 1.00 1.00 ATOM 284 CA LYS 201 26.902 22.262 47.353 1.00 1.00 ATOM 285 CA ASP 202 24.573 24.850 48.930 1.00 1.00 ATOM 286 CA VAL 203 21.002 23.483 48.857 1.00 1.00 ATOM 287 CA VAL 204 18.387 26.184 48.298 1.00 1.00 ATOM 288 CA TRP 205 21.014 28.766 47.386 1.00 1.00 ATOM 289 CA LEU 206 19.348 31.454 45.292 1.00 1.00 ATOM 290 CA GLN 207 20.468 34.953 44.348 1.00 1.00 ATOM 291 CA VAL 208 17.918 37.347 42.935 1.00 1.00 ATOM 292 CA PRO 209 18.534 40.700 41.268 1.00 1.00 ATOM 293 CA PHE 210 16.848 43.640 42.985 1.00 1.00 ATOM 294 CA SER 211 16.249 47.170 41.827 1.00 1.00 ATOM 295 CA ALA 212 18.710 49.447 43.586 1.00 1.00 ATOM 296 CA LEU 213 17.242 50.399 46.990 1.00 1.00 ATOM 297 CA PRO 214 16.108 54.052 47.085 1.00 1.00 ATOM 298 CA GLY 215 19.019 56.145 48.382 1.00 1.00 ATOM 299 CA ASP 216 18.863 58.811 51.103 1.00 1.00 ATOM 300 CA LYS 217 18.126 61.424 48.435 1.00 1.00 ATOM 301 CA ASN 218 14.998 59.561 47.415 1.00 1.00 ATOM 302 CA ALA 219 16.127 57.907 44.197 1.00 1.00 ATOM 303 CA ASP 220 17.145 54.544 42.774 1.00 1.00 ATOM 304 CA THR 221 20.670 54.677 41.444 1.00 1.00 ATOM 305 CA LYS 222 22.614 52.263 39.266 1.00 1.00 ATOM 306 CA LEU 223 25.763 54.247 38.553 1.00 1.00 ATOM 307 CA PRO 224 27.498 51.544 36.473 1.00 1.00 ATOM 308 CA ASN 225 26.731 51.175 32.756 1.00 1.00 ATOM 309 CA GLY 226 28.429 49.820 29.670 1.00 1.00 ATOM 310 CA ALA 227 30.523 52.286 27.721 1.00 1.00 ATOM 311 CA ASN 228 28.975 53.331 24.426 1.00 1.00 ATOM 312 CA TYR 229 32.417 53.195 22.814 1.00 1.00 ATOM 313 CA GLY 230 35.614 51.334 23.626 1.00 1.00 ATOM 314 CA PHE 231 39.124 52.793 23.265 1.00 1.00 ATOM 315 CA SER 234 39.865 49.919 20.889 1.00 1.00 ATOM 316 CA THR 235 39.783 49.627 17.114 1.00 1.00 ATOM 317 CA MET 236 41.893 50.052 14.015 1.00 1.00 ATOM 318 CA HIS 237 43.326 52.791 11.830 1.00 1.00 ATOM 319 CA ILE 238 44.729 53.339 8.343 1.00 1.00 ATOM 320 CA VAL 239 48.393 54.361 8.165 1.00 1.00 ATOM 321 CA ALA 240 49.713 57.090 5.903 1.00 1.00 ATOM 322 CA ASN 241 51.625 54.278 4.181 1.00 1.00 ATOM 323 CA LYS 242 48.467 52.409 3.113 1.00 1.00 ATOM 324 CA LYS 247 48.453 52.671 -0.689 1.00 1.00 ATOM 325 CA ASN 248 44.856 51.408 -0.804 1.00 1.00 ATOM 326 CA PRO 249 42.876 53.750 1.456 1.00 1.00 ATOM 327 CA ALA 250 39.449 53.392 -0.189 1.00 1.00 ATOM 328 CA ALA 251 39.573 49.596 -0.379 1.00 1.00 ATOM 329 CA ALA 252 40.651 49.545 3.268 1.00 1.00 ATOM 330 CA LYS 253 37.815 51.830 4.357 1.00 1.00 ATOM 331 CA LEU 254 35.261 49.768 2.413 1.00 1.00 ATOM 332 CA PHE 255 36.684 46.740 4.208 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:40:08 2002 Date: Wed, 14 Aug 2002 02:40:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:11:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_241285_22880 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS007_2 Current information on models submitted in prediction T0159TS007 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_2 PIN_241285_22880 6269-7633-6117 08/14/02 02:11:57 casp5@bialko.llnl.gov T0159TS007_3 PIN_205672_22867 6269-7633-6117 08/14/02 02:08:01 casp5@bialko.llnl.gov T0159TS007_4 PIN_190624_22863 6269-7633-6117 08/14/02 02:06:09 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 casp5@bialko.llnl.gov T0159TS007_2 PIN_241285_22880 6269-7633-6117 08/14/02 02:11:57 casp5@bialko.llnl.gov T0159TS007_3 PIN_205672_22867 6269-7633-6117 08/14/02 02:08:01 casp5@bialko.llnl.gov T0159TS007_4 PIN_190624_22863 6269-7633-6117 08/14/02 02:06:09 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1AK6 # Loading PARENT structure: 1ak6 (chain: ) # Number of residues in PARENT structure: 174 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue P 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 191 # IMPORTANT NOTE! Not complete main chain atoms for residue W 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 32 # Total number of atoms in model: 32 # Number of atoms with 1.0 occupancy: 32 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 32 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1AK6 ATOM 86 CA MET 170 33.282 25.291 16.826 1.00 1.00 ATOM 87 CA ALA 171 35.875 24.035 14.327 1.00 1.00 ATOM 88 CA ASP 172 39.448 24.760 15.431 1.00 1.00 ATOM 89 CA THR 173 41.627 24.348 12.331 1.00 1.00 ATOM 90 CA ILE 174 44.386 26.427 10.735 1.00 1.00 ATOM 91 CA SER 175 44.358 26.975 6.968 1.00 1.00 ATOM 92 CA ARG 176 46.215 29.048 4.354 1.00 1.00 ATOM 93 CA TYR 177 44.756 31.704 6.689 1.00 1.00 ATOM 94 CA LYS 178 46.034 29.749 9.725 1.00 1.00 ATOM 95 CA GLU 179 44.449 28.853 13.064 1.00 1.00 ATOM 96 CA GLY 180 41.013 30.296 12.454 1.00 1.00 ATOM 97 CA LYS 181 38.216 28.553 14.308 1.00 1.00 ATOM 98 CA PRO 182 35.375 28.234 11.853 1.00 1.00 ATOM 99 CA VAL 183 32.447 26.020 12.915 1.00 1.00 ATOM 100 CA PHE 184 30.732 24.084 10.185 1.00 1.00 ATOM 101 CA TYR 185 27.103 23.321 9.497 1.00 1.00 ATOM 102 CA TYR 186 26.452 19.616 9.914 1.00 1.00 ATOM 103 CA THR 187 23.442 18.064 8.214 1.00 1.00 ATOM 104 CA TRP 188 24.189 14.927 10.165 1.00 1.00 ATOM 105 CA THR 189 21.718 12.743 8.260 1.00 1.00 ATOM 106 CA PRO 190 22.084 8.976 8.491 1.00 1.00 ATOM 107 CA TYR 191 20.900 6.997 5.462 1.00 1.00 ATOM 108 CA TRP 192 18.922 4.950 8.035 1.00 1.00 ATOM 109 CA VAL 193 17.249 7.768 10.028 1.00 1.00 ATOM 110 CA SER 194 13.503 8.147 9.700 1.00 1.00 ATOM 111 CA ASN 195 12.444 9.707 6.361 1.00 1.00 ATOM 112 CA GLU 196 11.044 12.524 8.536 1.00 1.00 ATOM 113 CA LEU 197 14.451 13.903 9.686 1.00 1.00 ATOM 114 CA ASP 202 15.833 13.303 6.188 1.00 1.00 ATOM 115 CA VAL 203 13.070 14.937 4.115 1.00 1.00 ATOM 116 CA VAL 204 12.612 17.635 6.658 1.00 1.00 ATOM 117 CA TRP 205 16.054 19.094 6.626 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:36:08 2002 Date: Wed, 14 Aug 2002 02:36:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:08:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_205672_22867 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS007_3 Current information on models submitted in prediction T0159TS007 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_3 PIN_205672_22867 6269-7633-6117 08/14/02 02:08:01 casp5@bialko.llnl.gov T0159TS007_4 PIN_190624_22863 6269-7633-6117 08/14/02 02:06:09 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 casp5@bialko.llnl.gov T0159TS007_3 PIN_205672_22867 6269-7633-6117 08/14/02 02:08:01 casp5@bialko.llnl.gov T0159TS007_4 PIN_190624_22863 6269-7633-6117 08/14/02 02:06:09 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1AK7 # Loading PARENT structure: 1ak7 (chain: ) # Number of residues in PARENT structure: 174 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue P 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 191 # IMPORTANT NOTE! Not complete main chain atoms for residue W 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 32 # Total number of atoms in model: 32 # Number of atoms with 1.0 occupancy: 32 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 32 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1AK7 ATOM 86 CA MET 170 33.388 25.381 16.365 1.00 1.00 ATOM 87 CA ALA 171 35.971 24.323 13.755 1.00 1.00 ATOM 88 CA ASP 172 39.442 25.100 15.127 1.00 1.00 ATOM 89 CA THR 173 41.660 24.505 12.096 1.00 1.00 ATOM 90 CA ILE 174 44.562 26.347 10.491 1.00 1.00 ATOM 91 CA SER 175 44.503 27.033 6.800 1.00 1.00 ATOM 92 CA ARG 176 46.709 28.782 4.233 1.00 1.00 ATOM 93 CA TYR 177 45.201 31.609 6.305 1.00 1.00 ATOM 94 CA LYS 178 46.209 29.767 9.539 1.00 1.00 ATOM 95 CA GLU 179 44.397 28.779 12.739 1.00 1.00 ATOM 96 CA GLY 180 41.433 31.094 12.513 1.00 1.00 ATOM 97 CA LYS 181 38.554 28.839 13.554 1.00 1.00 ATOM 98 CA PRO 182 35.644 28.577 11.105 1.00 1.00 ATOM 99 CA VAL 183 32.757 26.335 12.209 1.00 1.00 ATOM 100 CA PHE 184 30.789 24.392 9.646 1.00 1.00 ATOM 101 CA TYR 185 27.173 23.465 9.006 1.00 1.00 ATOM 102 CA TYR 186 26.511 19.746 9.407 1.00 1.00 ATOM 103 CA THR 187 23.473 18.213 7.680 1.00 1.00 ATOM 104 CA TRP 188 24.183 15.001 9.558 1.00 1.00 ATOM 105 CA THR 189 21.763 12.950 7.416 1.00 1.00 ATOM 106 CA PRO 190 22.265 9.278 8.161 1.00 1.00 ATOM 107 CA TYR 191 20.757 6.856 5.657 1.00 1.00 ATOM 108 CA TRP 192 18.898 5.363 8.654 1.00 1.00 ATOM 109 CA VAL 193 17.644 8.455 10.557 1.00 1.00 ATOM 110 CA SER 194 13.915 8.879 10.806 1.00 1.00 ATOM 111 CA ASN 195 12.096 10.315 7.772 1.00 1.00 ATOM 112 CA GLU 196 11.130 13.442 9.741 1.00 1.00 ATOM 113 CA LEU 197 14.879 14.199 9.797 1.00 1.00 ATOM 114 CA ASP 202 15.234 13.915 6.012 1.00 1.00 ATOM 115 CA VAL 203 12.020 15.197 4.438 1.00 1.00 ATOM 116 CA VAL 204 12.178 17.949 6.954 1.00 1.00 ATOM 117 CA TRP 205 15.719 19.102 6.731 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:34:08 2002 Date: Wed, 14 Aug 2002 02:34:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:06:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_190624_22863 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS007_4 Current information on models submitted in prediction T0159TS007 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_4 PIN_190624_22863 6269-7633-6117 08/14/02 02:06:09 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 casp5@bialko.llnl.gov T0159TS007_4 PIN_190624_22863 6269-7633-6117 08/14/02 02:06:09 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1ELJ_A # Loading PARENT structure: 1elj (chain: A) # Number of residues in PARENT structure: 379 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue P 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 191 # IMPORTANT NOTE! Not complete main chain atoms for residue W 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue K 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue S 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue P 214 # IMPORTANT NOTE! Not complete main chain atoms for residue G 215 # IMPORTANT NOTE! Not complete main chain atoms for residue D 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 217 # IMPORTANT NOTE! Not complete main chain atoms for residue N 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue T 221 # IMPORTANT NOTE! Not complete main chain atoms for residue K 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue P 224 # IMPORTANT NOTE! Not complete main chain atoms for residue N 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue N 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue F 231 # IMPORTANT NOTE! Not complete main chain atoms for residue P 232 # IMPORTANT NOTE! Not complete main chain atoms for residue V 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue T 235 # IMPORTANT NOTE! Not complete main chain atoms for residue M 236 # IMPORTANT NOTE! Not complete main chain atoms for residue H 237 # IMPORTANT NOTE! Not complete main chain atoms for residue I 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue A 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue K 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue E 246 # IMPORTANT NOTE! Not complete main chain atoms for residue K 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 250 # IMPORTANT NOTE! Not complete main chain atoms for residue A 251 # IMPORTANT NOTE! Not complete main chain atoms for residue A 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 94 # Total number of atoms in model: 94 # Number of atoms with 1.0 occupancy: 94 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 94 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1ELJ_A ATOM 182 CA VAL 159 39.496 -1.663 18.190 1.00 1.00 ATOM 183 CA THR 160 37.611 -3.236 15.295 1.00 1.00 ATOM 184 CA HIS 161 40.042 -2.688 12.409 1.00 1.00 ATOM 185 CA ASN 162 40.381 -6.361 11.588 1.00 1.00 ATOM 186 CA GLN 163 36.677 -7.138 11.692 1.00 1.00 ATOM 187 CA GLY 164 35.443 -8.288 8.285 1.00 1.00 ATOM 188 CA ASN 165 32.688 -5.663 8.365 1.00 1.00 ATOM 189 CA TYR 166 35.314 -2.951 8.964 1.00 1.00 ATOM 190 CA ALA 167 37.510 -4.349 6.273 1.00 1.00 ATOM 191 CA ALA 168 34.492 -4.321 3.994 1.00 1.00 ATOM 192 CA MET 169 33.918 -0.655 4.706 1.00 1.00 ATOM 193 CA MET 170 37.524 0.368 3.960 1.00 1.00 ATOM 194 CA ALA 171 37.562 -1.592 0.699 1.00 1.00 ATOM 195 CA ASP 172 34.300 0.075 -0.239 1.00 1.00 ATOM 196 CA THR 173 35.812 3.531 0.162 1.00 1.00 ATOM 197 CA ILE 174 38.833 2.853 -2.015 1.00 1.00 ATOM 198 CA SER 175 36.970 0.741 -4.560 1.00 1.00 ATOM 199 CA ARG 176 33.739 2.763 -4.959 1.00 1.00 ATOM 200 CA TYR 177 34.557 6.334 -3.996 1.00 1.00 ATOM 201 CA LYS 178 38.318 7.002 -4.298 1.00 1.00 ATOM 202 CA GLU 179 38.342 6.353 -8.069 1.00 1.00 ATOM 203 CA GLY 180 36.216 9.485 -8.540 1.00 1.00 ATOM 204 CA LYS 181 38.513 11.724 -6.527 1.00 1.00 ATOM 205 CA PRO 182 41.574 13.806 -7.305 1.00 1.00 ATOM 208 CA VAL 183 43.937 12.988 0.872 1.00 1.00 ATOM 209 CA PHE 184 44.992 16.537 1.718 1.00 1.00 ATOM 210 CA TYR 185 42.353 18.678 3.385 1.00 1.00 ATOM 211 CA TYR 186 42.743 22.040 1.686 1.00 1.00 ATOM 212 CA THR 187 43.414 20.514 -1.767 1.00 1.00 ATOM 213 CA TRP 188 40.206 18.478 -1.588 1.00 1.00 ATOM 214 CA THR 189 38.226 21.420 -0.226 1.00 1.00 ATOM 215 CA PRO 190 39.557 23.783 -2.851 1.00 1.00 ATOM 216 CA TYR 191 38.400 21.436 -5.602 1.00 1.00 ATOM 217 CA TRP 192 34.841 21.944 -4.338 1.00 1.00 ATOM 218 CA VAL 193 35.177 25.637 -3.702 1.00 1.00 ATOM 219 CA SER 194 36.439 26.126 -7.243 1.00 1.00 ATOM 220 CA ASN 195 33.396 24.335 -8.624 1.00 1.00 ATOM 221 CA GLU 196 35.462 21.417 -9.824 1.00 1.00 ATOM 222 CA LEU 197 33.423 18.877 -7.898 1.00 1.00 ATOM 223 CA LYS 198 29.644 18.765 -7.371 1.00 1.00 ATOM 224 CA PRO 199 29.850 17.520 -3.776 1.00 1.00 ATOM 225 CA GLY 200 32.116 17.756 -0.750 1.00 1.00 ATOM 226 CA LYS 201 32.187 15.659 2.432 1.00 1.00 ATOM 227 CA ASP 202 32.954 18.124 5.221 1.00 1.00 ATOM 228 CA VAL 203 31.642 19.648 8.490 1.00 1.00 ATOM 229 CA VAL 204 30.176 22.932 9.748 1.00 1.00 ATOM 230 CA TRP 205 33.695 24.269 10.256 1.00 1.00 ATOM 231 CA LEU 206 34.014 24.541 6.448 1.00 1.00 ATOM 232 CA GLN 207 30.755 26.293 5.711 1.00 1.00 ATOM 233 CA VAL 208 31.929 29.897 5.767 1.00 1.00 ATOM 234 CA PRO 209 34.510 28.872 3.177 1.00 1.00 ATOM 235 CA PHE 210 31.711 27.556 0.990 1.00 1.00 ATOM 236 CA SER 211 29.884 30.830 1.485 1.00 1.00 ATOM 237 CA ALA 212 32.932 32.973 0.784 1.00 1.00 ATOM 238 CA PRO 214 33.334 31.095 -2.507 1.00 1.00 ATOM 239 CA GLY 215 29.851 32.134 -3.532 1.00 1.00 ATOM 240 CA ASP 216 28.477 28.610 -3.789 1.00 1.00 ATOM 241 CA LYS 217 24.747 27.951 -3.484 1.00 1.00 ATOM 242 CA ASN 218 24.669 24.738 -1.479 1.00 1.00 ATOM 243 CA ALA 219 22.675 22.254 0.511 1.00 1.00 ATOM 244 CA ASP 220 23.602 19.592 3.088 1.00 1.00 ATOM 245 CA THR 221 22.429 15.960 3.302 1.00 1.00 ATOM 246 CA LYS 222 23.772 12.843 5.094 1.00 1.00 ATOM 250 CA LEU 223 24.521 1.867 0.489 1.00 1.00 ATOM 251 CA PRO 224 22.070 -0.677 -0.879 1.00 1.00 ATOM 252 CA ASN 225 22.715 -4.409 -0.731 1.00 1.00 ATOM 253 CA GLY 226 20.035 -6.805 -1.941 1.00 1.00 ATOM 254 CA ALA 227 17.314 -4.262 -1.138 1.00 1.00 ATOM 255 CA ASN 228 18.865 -3.575 2.275 1.00 1.00 ATOM 256 CA TYR 229 20.152 -0.233 3.563 1.00 1.00 ATOM 257 CA GLY 230 23.642 0.091 5.049 1.00 1.00 ATOM 261 CA PHE 231 30.474 8.960 10.598 1.00 1.00 ATOM 262 CA PRO 232 32.048 9.803 13.851 1.00 1.00 ATOM 263 CA VAL 233 30.671 13.060 15.250 1.00 1.00 ATOM 264 CA SER 234 31.274 15.172 18.309 1.00 1.00 ATOM 265 CA THR 235 30.416 17.984 20.645 1.00 1.00 ATOM 266 CA MET 236 32.446 21.177 20.264 1.00 1.00 ATOM 267 CA HIS 237 33.907 22.319 23.574 1.00 1.00 ATOM 268 CA ILE 238 35.660 25.391 24.863 1.00 1.00 ATOM 269 CA VAL 239 38.137 23.802 27.278 1.00 1.00 ATOM 270 CA ALA 240 39.724 25.331 30.392 1.00 1.00 ATOM 271 CA ASN 241 43.500 24.754 30.454 1.00 1.00 ATOM 272 CA LYS 242 45.670 23.858 33.424 1.00 1.00 ATOM 273 CA ALA 245 47.837 26.843 34.237 1.00 1.00 ATOM 274 CA GLU 246 44.999 29.158 33.217 1.00 1.00 ATOM 275 CA LYS 247 45.841 32.710 34.272 1.00 1.00 ATOM 276 CA ASN 248 42.489 34.519 34.147 1.00 1.00 ATOM 277 CA PRO 249 39.935 31.984 35.358 1.00 1.00 ATOM 278 CA ALA 250 36.911 34.119 36.255 1.00 1.00 ATOM 279 CA ALA 251 37.251 36.320 33.205 1.00 1.00 ATOM 280 CA ALA 252 37.604 33.248 31.030 1.00 1.00 ATOM 281 CA LYS 253 34.594 31.591 32.624 1.00 1.00 ATOM 282 CA LEU 254 32.404 34.640 31.952 1.00 1.00 ATOM 283 CA PHE 255 33.392 34.749 28.305 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:33:18 2002 Date: Wed, 14 Aug 2002 02:33:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:05:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_181658_22861 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS007_5 Current information on models submitted in prediction T0159TS007 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS007_1 PIN_165485_22857 6269-7633-6117 08/14/02 02:03:57 casp5@bialko.llnl.gov T0159TS007_5 PIN_181658_22861 6269-7633-6117 08/14/02 02:05:14 casp5@bialko.llnl.gov T0159SS007_1 PIN_431704_12798 6269-7633-6117 07/19/02 15:31:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1ICF_A # Loading PARENT structure: 1icf (chain: A) # Number of residues in PARENT structure: 175 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue T 125 # IMPORTANT NOTE! Not complete main chain atoms for residue N 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue K 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue D 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue G 135 # IMPORTANT NOTE! Not complete main chain atoms for residue C 136 # IMPORTANT NOTE! Not complete main chain atoms for residue N 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue W 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue H 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue T 156 # IMPORTANT NOTE! Not complete main chain atoms for residue N 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue P 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 191 # IMPORTANT NOTE! Not complete main chain atoms for residue W 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue K 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue S 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 102 # Total number of atoms in model: 102 # Number of atoms with 1.0 occupancy: 102 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 102 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1ICF_A ATOM 31 CA ILE 111 11.778 -1.164 27.740 1.00 1.00 ATOM 32 CA ALA 112 13.793 -2.616 30.619 1.00 1.00 ATOM 33 CA GLN 113 12.531 0.019 33.082 1.00 1.00 ATOM 34 CA LEU 114 8.939 -0.263 31.749 1.00 1.00 ATOM 35 CA LYS 115 8.932 -4.086 31.989 1.00 1.00 ATOM 36 CA ASP 116 9.740 -3.837 35.707 1.00 1.00 ATOM 37 CA PRO 117 7.073 -1.142 36.396 1.00 1.00 ATOM 38 CA LYS 118 4.359 -2.968 34.433 1.00 1.00 ATOM 39 CA ILE 119 5.231 -6.169 36.310 1.00 1.00 ATOM 40 CA ALA 120 5.020 -4.339 39.630 1.00 1.00 ATOM 41 CA LYS 121 1.648 -2.943 38.582 1.00 1.00 ATOM 42 CA LEU 122 0.020 -6.064 37.087 1.00 1.00 ATOM 43 CA PHE 123 2.054 -9.008 38.292 1.00 1.00 ATOM 44 CA ASP 124 2.787 -10.064 34.700 1.00 1.00 ATOM 45 CA THR 125 6.223 -9.895 33.011 1.00 1.00 ATOM 46 CA ASN 126 5.877 -9.135 29.308 1.00 1.00 ATOM 47 CA GLY 127 8.804 -8.296 27.001 1.00 1.00 ATOM 48 CA ASP 128 8.275 -4.905 25.332 1.00 1.00 ATOM 49 CA GLY 129 9.147 -3.806 21.781 1.00 1.00 ATOM 50 CA LYS 130 12.387 -1.929 21.163 1.00 1.00 ATOM 51 CA ALA 131 11.631 -1.816 17.408 1.00 1.00 ATOM 52 CA ASP 132 8.312 -0.006 18.148 1.00 1.00 ATOM 53 CA LEU 133 10.427 2.721 19.834 1.00 1.00 ATOM 54 CA THR 134 13.199 2.748 17.157 1.00 1.00 ATOM 55 CA GLY 135 10.651 3.171 14.335 1.00 1.00 ATOM 56 CA CYS 136 8.164 5.492 15.965 1.00 1.00 ATOM 57 CA ASN 137 9.748 7.876 18.430 1.00 1.00 ATOM 58 CA PRO 138 11.288 10.367 16.044 1.00 1.00 ATOM 62 CA GLY 139 14.856 9.949 19.074 1.00 1.00 ATOM 63 CA TRP 140 17.084 9.035 16.126 1.00 1.00 ATOM 64 CA GLY 141 16.598 5.321 15.755 1.00 1.00 ATOM 65 CA CYS 142 19.939 3.523 15.393 1.00 1.00 ATOM 66 CA GLU 143 21.901 6.752 15.698 1.00 1.00 ATOM 67 CA GLY 144 20.954 7.577 19.258 1.00 1.00 ATOM 68 CA ALA 145 18.182 8.671 21.586 1.00 1.00 ATOM 69 CA ILE 146 17.212 9.181 25.235 1.00 1.00 ATOM 70 CA ASN 147 15.269 7.001 27.660 1.00 1.00 ATOM 71 CA HIS 148 13.108 9.937 28.684 1.00 1.00 ATOM 72 CA GLN 149 12.061 10.645 25.066 1.00 1.00 ATOM 73 CA LEU 150 11.070 6.979 24.827 1.00 1.00 ATOM 74 CA ALA 151 8.982 7.258 28.053 1.00 1.00 ATOM 75 CA ALA 152 7.473 10.422 26.576 1.00 1.00 ATOM 76 CA TYR 153 6.602 8.526 23.388 1.00 1.00 ATOM 77 CA GLU 154 4.714 5.768 25.235 1.00 1.00 ATOM 78 CA LEU 155 2.685 8.413 27.052 1.00 1.00 ATOM 79 CA THR 156 1.981 10.498 23.910 1.00 1.00 ATOM 80 CA ASN 157 1.140 7.339 21.979 1.00 1.00 ATOM 81 CA THR 158 -1.040 5.706 24.620 1.00 1.00 ATOM 82 CA VAL 159 0.712 2.351 24.345 1.00 1.00 ATOM 83 CA THR 160 3.697 0.190 23.378 1.00 1.00 ATOM 84 CA HIS 161 3.562 -3.179 21.631 1.00 1.00 ATOM 85 CA ASN 162 5.052 -6.371 22.951 1.00 1.00 ATOM 86 CA GLN 163 8.261 -7.910 21.573 1.00 1.00 ATOM 87 CA GLY 164 6.367 -10.881 20.066 1.00 1.00 ATOM 88 CA ASN 165 3.978 -8.677 18.073 1.00 1.00 ATOM 89 CA TYR 166 6.700 -6.215 16.962 1.00 1.00 ATOM 90 CA ALA 167 10.083 -8.015 16.665 1.00 1.00 ATOM 91 CA ALA 168 13.469 -6.331 16.769 1.00 1.00 ATOM 92 CA MET 169 15.191 -5.948 13.398 1.00 1.00 ATOM 93 CA MET 170 18.211 -3.858 14.445 1.00 1.00 ATOM 94 CA ALA 171 17.443 -1.310 11.777 1.00 1.00 ATOM 95 CA ASP 172 15.090 1.679 11.455 1.00 1.00 ATOM 96 CA THR 173 11.922 0.878 9.507 1.00 1.00 ATOM 97 CA ILE 174 8.509 2.411 9.100 1.00 1.00 ATOM 98 CA SER 175 6.360 2.760 12.190 1.00 1.00 ATOM 99 CA ARG 176 4.050 -0.234 12.420 1.00 1.00 ATOM 100 CA TYR 177 2.530 0.402 15.854 1.00 1.00 ATOM 101 CA LYS 178 -0.651 -1.599 16.324 1.00 1.00 ATOM 102 CA GLY 180 -2.800 -0.566 19.370 1.00 1.00 ATOM 103 CA LYS 181 -4.364 -4.002 19.348 1.00 1.00 ATOM 104 CA PRO 182 -1.084 -5.463 20.637 1.00 1.00 ATOM 105 CA VAL 183 -0.328 -2.679 23.110 1.00 1.00 ATOM 106 CA PHE 184 0.599 -4.216 26.469 1.00 1.00 ATOM 107 CA TYR 185 2.214 -1.287 28.316 1.00 1.00 ATOM 108 CA TYR 186 1.480 2.324 29.086 1.00 1.00 ATOM 109 CA THR 187 3.239 5.195 30.811 1.00 1.00 ATOM 110 CA TRP 188 2.103 8.338 32.627 1.00 1.00 ATOM 111 CA THR 189 5.353 10.233 32.554 1.00 1.00 ATOM 112 CA PRO 190 8.764 9.673 34.117 1.00 1.00 ATOM 113 CA TYR 191 10.824 10.782 37.080 1.00 1.00 ATOM 114 CA TRP 192 14.342 12.090 36.726 1.00 1.00 ATOM 115 CA VAL 193 16.605 10.988 39.609 1.00 1.00 ATOM 116 CA SER 194 19.075 13.490 41.137 1.00 1.00 ATOM 117 CA ASN 195 22.646 13.078 39.975 1.00 1.00 ATOM 118 CA GLU 196 23.889 11.419 43.147 1.00 1.00 ATOM 119 CA LEU 197 24.619 7.755 43.845 1.00 1.00 ATOM 120 CA LYS 198 22.887 7.993 47.234 1.00 1.00 ATOM 121 CA PRO 199 19.616 8.966 45.483 1.00 1.00 ATOM 122 CA GLY 200 20.018 6.261 42.869 1.00 1.00 ATOM 123 CA LYS 201 20.304 3.561 45.582 1.00 1.00 ATOM 124 CA ASP 202 17.120 4.776 47.172 1.00 1.00 ATOM 125 CA VAL 203 15.223 4.618 43.868 1.00 1.00 ATOM 126 CA VAL 204 16.599 1.140 43.043 1.00 1.00 ATOM 127 CA TRP 205 15.553 -0.162 46.494 1.00 1.00 ATOM 128 CA LEU 206 12.060 1.271 46.318 1.00 1.00 ATOM 129 CA GLN 207 11.011 1.590 42.626 1.00 1.00 ATOM 130 CA VAL 208 12.567 -1.315 40.760 1.00 1.00 ATOM 131 CA PRO 209 15.067 -1.485 37.871 1.00 1.00 ATOM 132 CA PHE 210 16.181 2.041 36.838 1.00 1.00 ATOM 133 CA SER 211 17.293 3.324 33.369 1.00 1.00 ATOM 134 CA ALA 212 20.768 4.847 33.407 1.00 1.00 ATOM 135 CA LEU 213 23.481 5.966 30.967 1.00 1.00 TER END ################################ # # # END # # # ################################