From mailer@bialko.llnl.gov Thu Aug 1 22:22:08 2002 Date: Thu, 1 Aug 2002 22:22:02 -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 Thu Aug 1 21:55:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_673501_18251 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164SS007_1 Current information on models submitted in prediction T0164SS007 MODEL_INDEX PIN CODE DATE E-mail T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0164 MODEL_INDEX PIN CODE DATE E-mail T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0164 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: 166 # Number of residues with nonzero confidence: 166 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0164 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-13475.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-8294//target-align-8294.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 196.333 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-13475.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc72.14927/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 Jul 29 13:16:00 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-8294//target-align-8294.a2m METHOD METHOD guide seq name: seed-seqs-13475.a2m(1), 166 bases, 62C764DC checksum. METHOD ###end 0 MODEL 1 N C 0.657 S C 0.68 T H 0.468 D H 0.535 V H 0.623 E H 0.687 E H 0.706 T H 0.711 L H 0.728 K H 0.725 R H 0.72 I H 0.704 Q H 0.682 N H 0.613 N H 0.482 D C 0.617 P C 0.584 D C 0.517 L H 0.37 E H 0.363 E E 0.459 V E 0.478 N E 0.427 L C 0.355 N C 0.483 N C 0.482 I C 0.464 M C 0.547 N C 0.563 I C 0.579 P C 0.631 V H 0.628 P H 0.67 T H 0.684 L H 0.709 K H 0.726 A H 0.734 C H 0.746 A H 0.751 E H 0.752 A H 0.737 L H 0.699 K H 0.612 T H 0.52 N C 0.561 T C 0.548 Y C 0.457 V H 0.388 K H 0.377 K E 0.461 F E 0.49 S E 0.461 I E 0.356 V C 0.478 G C 0.502 T C 0.529 R C 0.536 S C 0.544 N C 0.597 D H 0.589 P H 0.649 V H 0.67 A H 0.711 F H 0.733 A H 0.742 L H 0.757 A H 0.758 E H 0.756 M H 0.747 L H 0.722 K H 0.672 V H 0.613 N C 0.517 N C 0.559 T C 0.469 L H 0.364 K E 0.418 S E 0.5 L E 0.511 N E 0.462 V C 0.359 E C 0.525 S C 0.526 N C 0.562 F C 0.549 I C 0.557 S C 0.634 G H 0.633 S H 0.671 G H 0.678 I H 0.705 L H 0.723 A H 0.729 L H 0.734 V H 0.73 E H 0.732 A H 0.719 L H 0.675 Q H 0.561 S H 0.462 N C 0.573 T C 0.552 S C 0.433 L E 0.392 I E 0.452 E E 0.503 L E 0.514 R E 0.484 I E 0.379 D C 0.499 N C 0.542 Q C 0.592 S C 0.549 Q C 0.499 P C 0.49 L C 0.534 G C 0.616 N H 0.579 N H 0.629 V H 0.653 E H 0.697 M H 0.724 E H 0.734 I H 0.753 A H 0.755 N H 0.755 M H 0.746 L H 0.727 E H 0.683 K H 0.626 N C 0.551 T C 0.559 T C 0.459 L E 0.375 L E 0.457 K E 0.521 F E 0.527 G E 0.487 Y E 0.381 H C 0.531 F C 0.552 T C 0.565 Q C 0.524 Q C 0.54 G C 0.581 P H 0.568 R H 0.619 L H 0.634 R H 0.653 A H 0.672 S H 0.679 N H 0.683 A H 0.685 M H 0.677 M H 0.655 N H 0.611 N H 0.464 N C 0.6 D C 0.611 L C 0.516 V C 0.428 R H 0.385 K H 0.389 R H 0.362 R C 0.438 L C 0.835 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:24:18 2002 Date: Sun, 18 Aug 2002 09:24:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 08:56:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_699446_27023 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS007_1 Current information on models submitted in prediction T0164TS007 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 casp5@bialko.llnl.gov T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1DFJ_I # Loading PARENT structure: 1dfj (chain: I) # Number of residues in PARENT structure: 456 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # 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 M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 292 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # IMPORTANT NOTE! Not complete main chain atoms for residue M 333 # IMPORTANT NOTE! Not complete main chain atoms for residue N 334 # IMPORTANT NOTE! Not complete main chain atoms for residue N 335 # IMPORTANT NOTE! Not complete main chain atoms for residue N 336 # IMPORTANT NOTE! Not complete main chain atoms for residue D 337 # IMPORTANT NOTE! Not complete main chain atoms for residue L 338 # IMPORTANT NOTE! Not complete main chain atoms for residue V 339 # IMPORTANT NOTE! Not complete main chain atoms for residue R 340 # IMPORTANT NOTE! Not complete main chain atoms for residue K 341 # IMPORTANT NOTE! Not complete main chain atoms for residue R 342 # IMPORTANT NOTE! Not complete main chain atoms for residue R 343 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 162 # Total number of atoms in model: 162 # Number of atoms with 1.0 occupancy: 162 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 162 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1DFJ_I ATOM 263 CA ASN 179 5.725 50.711 26.893 1.00 1.00 ATOM 264 CA SER 180 2.376 52.322 26.033 1.00 1.00 ATOM 265 CA THR 181 1.467 55.870 24.899 1.00 1.00 ATOM 266 CA ASP 182 2.960 57.436 28.080 1.00 1.00 ATOM 267 CA VAL 183 6.477 56.202 27.402 1.00 1.00 ATOM 268 CA GLU 184 6.655 57.526 23.818 1.00 1.00 ATOM 269 CA GLU 185 5.974 61.028 25.131 1.00 1.00 ATOM 270 CA THR 186 9.198 60.609 27.119 1.00 1.00 ATOM 271 CA LEU 187 10.977 59.216 24.021 1.00 1.00 ATOM 272 CA LYS 188 9.830 61.877 21.605 1.00 1.00 ATOM 273 CA ARG 189 11.653 64.616 23.525 1.00 1.00 ATOM 274 CA ILE 190 14.729 62.581 22.609 1.00 1.00 ATOM 275 CA GLN 191 14.083 62.252 18.872 1.00 1.00 ATOM 276 CA ASN 192 13.533 65.983 18.835 1.00 1.00 ATOM 277 CA ASN 193 16.742 66.482 20.797 1.00 1.00 ATOM 278 CA ASP 194 18.983 63.883 19.320 1.00 1.00 ATOM 279 CA PRO 195 20.202 64.179 15.782 1.00 1.00 ATOM 280 CA ASP 196 22.357 61.131 16.494 1.00 1.00 ATOM 281 CA LEU 197 19.626 58.556 17.005 1.00 1.00 ATOM 282 CA GLU 198 19.205 56.604 13.786 1.00 1.00 ATOM 283 CA GLU 199 17.630 53.099 14.198 1.00 1.00 ATOM 284 CA VAL 200 14.955 52.230 16.797 1.00 1.00 ATOM 285 CA ASN 201 12.727 49.150 17.386 1.00 1.00 ATOM 286 CA LEU 202 9.442 49.322 19.396 1.00 1.00 ATOM 287 CA ASN 203 7.805 46.111 18.131 1.00 1.00 ATOM 288 CA ASN 204 5.453 44.290 20.486 1.00 1.00 ATOM 289 CA MET 206 4.789 47.343 22.655 1.00 1.00 ATOM 290 CA ASN 207 1.098 48.303 22.837 1.00 1.00 ATOM 291 CA ILE 208 1.526 51.917 21.655 1.00 1.00 ATOM 292 CA PRO 209 -1.828 51.995 19.922 1.00 1.00 ATOM 293 CA VAL 210 -2.905 54.689 17.465 1.00 1.00 ATOM 294 CA PRO 211 -2.168 57.440 20.005 1.00 1.00 ATOM 295 CA THR 212 1.367 56.145 20.532 1.00 1.00 ATOM 296 CA LEU 213 1.476 56.502 16.758 1.00 1.00 ATOM 297 CA LYS 214 0.014 60.079 16.632 1.00 1.00 ATOM 298 CA ALA 215 2.776 60.953 19.074 1.00 1.00 ATOM 299 CA CYS 216 5.846 59.653 17.297 1.00 1.00 ATOM 300 CA ALA 217 4.754 61.366 14.128 1.00 1.00 ATOM 301 CA GLU 218 4.882 64.824 15.669 1.00 1.00 ATOM 302 CA ALA 219 8.640 64.485 16.261 1.00 1.00 ATOM 303 CA LEU 220 9.458 62.966 12.903 1.00 1.00 ATOM 304 CA LYS 221 8.236 66.362 11.596 1.00 1.00 ATOM 305 CA THR 222 10.584 68.424 13.807 1.00 1.00 ATOM 306 CA ASN 223 13.259 68.620 11.044 1.00 1.00 ATOM 307 CA THR 224 15.959 68.371 13.698 1.00 1.00 ATOM 308 CA TYR 225 14.884 64.727 14.055 1.00 1.00 ATOM 310 CA VAL 226 15.924 59.135 12.476 1.00 1.00 ATOM 311 CA LYS 227 16.218 56.722 9.515 1.00 1.00 ATOM 312 CA LYS 228 14.886 53.244 10.456 1.00 1.00 ATOM 313 CA PHE 229 11.683 52.926 12.614 1.00 1.00 ATOM 314 CA SER 230 10.103 49.488 13.573 1.00 1.00 ATOM 315 CA ILE 231 6.518 49.203 14.970 1.00 1.00 ATOM 316 CA VAL 232 5.819 45.591 14.117 1.00 1.00 ATOM 317 CA GLY 233 2.879 44.507 16.231 1.00 1.00 ATOM 318 CA THR 234 2.206 47.752 18.189 1.00 1.00 ATOM 319 CA ARG 235 -1.579 47.690 18.423 1.00 1.00 ATOM 320 CA SER 236 -2.114 50.126 15.549 1.00 1.00 ATOM 321 CA ASN 237 -5.198 50.231 13.371 1.00 1.00 ATOM 322 CA ASP 238 -6.421 52.274 10.425 1.00 1.00 ATOM 323 CA PRO 239 -6.861 55.305 12.679 1.00 1.00 ATOM 324 CA VAL 240 -3.100 56.031 12.710 1.00 1.00 ATOM 325 CA ALA 241 -2.598 55.970 8.915 1.00 1.00 ATOM 326 CA PHE 242 -4.017 59.413 8.506 1.00 1.00 ATOM 327 CA ALA 243 -1.126 60.563 10.686 1.00 1.00 ATOM 328 CA LEU 244 1.380 58.025 9.489 1.00 1.00 ATOM 329 CA ALA 245 0.807 59.240 5.927 1.00 1.00 ATOM 330 CA GLU 246 0.981 62.958 6.632 1.00 1.00 ATOM 331 CA MET 247 4.354 62.435 8.236 1.00 1.00 ATOM 332 CA LEU 248 5.543 60.399 5.261 1.00 1.00 ATOM 333 CA LYS 249 4.941 63.172 2.786 1.00 1.00 ATOM 334 CA VAL 250 6.801 65.912 4.651 1.00 1.00 ATOM 335 CA ASN 251 9.604 63.951 6.383 1.00 1.00 ATOM 336 CA ASN 252 12.968 64.042 4.624 1.00 1.00 ATOM 337 CA THR 253 14.985 61.626 6.848 1.00 1.00 ATOM 338 CA LEU 254 13.024 58.371 7.446 1.00 1.00 ATOM 339 CA LYS 255 13.857 55.480 5.081 1.00 1.00 ATOM 340 CA SER 256 12.571 52.266 6.543 1.00 1.00 ATOM 341 CA LEU 257 9.165 51.460 8.086 1.00 1.00 ATOM 342 CA ASN 258 8.082 48.206 9.638 1.00 1.00 ATOM 343 CA VAL 259 4.342 48.354 10.113 1.00 1.00 ATOM 344 CA GLU 260 3.867 44.627 9.982 1.00 1.00 ATOM 345 CA SER 261 1.371 42.644 11.997 1.00 1.00 ATOM 346 CA ASN 262 -0.731 45.671 12.630 1.00 1.00 ATOM 347 CA PHE 263 -4.398 45.576 11.652 1.00 1.00 ATOM 348 CA ILE 264 -4.227 48.452 9.164 1.00 1.00 ATOM 349 CA SER 265 -6.524 46.718 6.668 1.00 1.00 ATOM 350 CA GLY 266 -7.208 47.775 3.130 1.00 1.00 ATOM 351 CA SER 267 -8.247 51.285 4.153 1.00 1.00 ATOM 352 CA GLY 268 -5.044 52.021 6.018 1.00 1.00 ATOM 353 CA ILE 269 -2.882 50.862 3.176 1.00 1.00 ATOM 354 CA LEU 270 -4.504 53.310 0.794 1.00 1.00 ATOM 355 CA ALA 271 -3.822 56.541 2.692 1.00 1.00 ATOM 356 CA LEU 272 -0.248 55.343 2.748 1.00 1.00 ATOM 357 CA VAL 273 -0.322 54.721 -1.027 1.00 1.00 ATOM 358 CA GLU 274 -1.677 58.214 -1.671 1.00 1.00 ATOM 359 CA ALA 275 0.673 59.886 0.738 1.00 1.00 ATOM 360 CA LEU 276 3.630 57.995 -0.609 1.00 1.00 ATOM 361 CA GLN 277 2.618 58.435 -4.216 1.00 1.00 ATOM 362 CA SER 278 3.017 62.211 -3.862 1.00 1.00 ATOM 363 CA ASN 279 6.124 63.885 -5.395 1.00 1.00 ATOM 364 CA THR 280 9.408 63.907 -3.504 1.00 1.00 ATOM 365 CA SER 281 8.617 61.057 -1.087 1.00 1.00 ATOM 367 CA LEU 282 10.666 56.219 2.240 1.00 1.00 ATOM 368 CA ILE 283 12.656 53.495 0.563 1.00 1.00 ATOM 369 CA GLU 284 11.282 50.554 2.535 1.00 1.00 ATOM 370 CA LEU 285 7.723 49.877 3.692 1.00 1.00 ATOM 371 CA ARG 286 6.915 46.590 5.244 1.00 1.00 ATOM 372 CA ILE 287 3.213 46.059 5.339 1.00 1.00 ATOM 373 CA ASP 288 3.818 42.520 6.285 1.00 1.00 ATOM 374 CA ASN 289 0.721 40.925 7.872 1.00 1.00 ATOM 375 CA GLN 290 -1.587 43.912 7.959 1.00 1.00 ATOM 376 CA SER 291 -4.812 42.383 6.663 1.00 1.00 ATOM 377 CA GLN 292 -4.425 43.547 3.043 1.00 1.00 ATOM 378 CA GLY 295 -6.626 41.780 0.401 1.00 1.00 ATOM 379 CA ASN 296 -6.797 41.446 -3.368 1.00 1.00 ATOM 380 CA ASN 297 -8.673 44.727 -3.342 1.00 1.00 ATOM 381 CA VAL 298 -5.774 46.421 -1.517 1.00 1.00 ATOM 382 CA GLU 299 -3.176 45.506 -4.081 1.00 1.00 ATOM 383 CA MET 300 -5.178 47.867 -6.300 1.00 1.00 ATOM 384 CA GLU 301 -3.988 50.837 -4.204 1.00 1.00 ATOM 385 CA ILE 302 -0.560 49.404 -3.953 1.00 1.00 ATOM 386 CA ALA 303 -0.731 49.070 -7.755 1.00 1.00 ATOM 387 CA ASN 304 -1.433 52.789 -8.416 1.00 1.00 ATOM 388 CA MET 305 1.166 53.451 -5.730 1.00 1.00 ATOM 389 CA LEU 306 3.885 51.465 -7.528 1.00 1.00 ATOM 390 CA GLU 307 3.303 53.534 -10.670 1.00 1.00 ATOM 391 CA LYS 308 3.409 57.039 -9.141 1.00 1.00 ATOM 392 CA ASN 309 6.001 56.685 -6.303 1.00 1.00 ATOM 393 CA THR 310 9.650 56.927 -7.342 1.00 1.00 ATOM 394 CA THR 311 11.362 56.454 -3.911 1.00 1.00 ATOM 395 CA LEU 312 10.422 52.890 -2.929 1.00 1.00 ATOM 396 CA LEU 313 13.109 50.201 -3.315 1.00 1.00 ATOM 397 CA LYS 314 11.451 47.468 -1.219 1.00 1.00 ATOM 398 CA PHE 315 7.827 46.619 -0.345 1.00 1.00 ATOM 399 CA GLY 316 7.228 43.716 1.983 1.00 1.00 ATOM 400 CA TYR 317 3.651 42.371 1.881 1.00 1.00 ATOM 401 CA HIS 318 4.162 38.774 3.014 1.00 1.00 ATOM 402 CA PHE 319 1.454 37.207 5.187 1.00 1.00 ATOM 403 CA THR 320 -1.582 39.028 3.862 1.00 1.00 ATOM 404 CA GLN 321 -4.865 37.890 2.283 1.00 1.00 ATOM 405 CA GLN 322 -3.493 38.387 -1.216 1.00 1.00 ATOM 406 CA GLY 323 -4.098 35.891 -4.057 1.00 1.00 ATOM 407 CA PRO 324 -3.993 35.760 -7.829 1.00 1.00 ATOM 408 CA ARG 325 -5.848 38.991 -8.680 1.00 1.00 ATOM 409 CA LEU 326 -3.768 40.811 -6.122 1.00 1.00 ATOM 410 CA ARG 327 -0.396 39.817 -7.568 1.00 1.00 ATOM 411 CA ALA 328 -1.659 40.308 -11.084 1.00 1.00 ATOM 412 CA SER 329 -2.451 43.898 -10.188 1.00 1.00 ATOM 413 CA ASN 330 0.990 44.241 -8.720 1.00 1.00 ATOM 414 CA ALA 331 2.551 42.764 -11.853 1.00 1.00 ATOM 415 CA MET 332 0.584 45.141 -14.117 1.00 1.00 ATOM 416 CA MET 333 2.619 47.920 -12.436 1.00 1.00 ATOM 417 CA ASN 334 5.935 46.073 -12.235 1.00 1.00 ATOM 418 CA ASN 335 5.826 45.001 -15.894 1.00 1.00 ATOM 419 CA ASN 336 5.498 48.673 -16.880 1.00 1.00 ATOM 420 CA ASP 337 8.607 50.672 -17.844 1.00 1.00 ATOM 421 CA LEU 338 8.997 53.401 -15.197 1.00 1.00 ATOM 422 CA VAL 339 8.665 51.192 -12.031 1.00 1.00 ATOM 423 CA ARG 340 11.512 51.912 -9.586 1.00 1.00 ATOM 424 CA LYS 341 10.932 49.059 -7.116 1.00 1.00 ATOM 425 CA ARG 342 13.706 46.391 -6.614 1.00 1.00 ATOM 426 CA ARG 343 12.288 43.697 -4.281 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:25:08 2002 Date: Sun, 18 Aug 2002 09:25:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 08:57:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_708649_27026 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS007_2 Current information on models submitted in prediction T0164TS007 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1A4Y_D # Loading PARENT structure: 1a4y (chain: D) # Number of residues in PARENT structure: 460 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # 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 M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 292 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # IMPORTANT NOTE! Not complete main chain atoms for residue M 333 # IMPORTANT NOTE! Not complete main chain atoms for residue N 334 # IMPORTANT NOTE! Not complete main chain atoms for residue N 335 # IMPORTANT NOTE! Not complete main chain atoms for residue N 336 # IMPORTANT NOTE! Not complete main chain atoms for residue D 337 # IMPORTANT NOTE! Not complete main chain atoms for residue L 338 # IMPORTANT NOTE! Not complete main chain atoms for residue V 339 # IMPORTANT NOTE! Not complete main chain atoms for residue R 340 # IMPORTANT NOTE! Not complete main chain atoms for residue K 341 # IMPORTANT NOTE! Not complete main chain atoms for residue R 342 # IMPORTANT NOTE! Not complete main chain atoms for residue R 343 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 162 # Total number of atoms in model: 162 # Number of atoms with 1.0 occupancy: 162 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 162 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1A4Y_D ATOM 267 CA ASN 179 18.598 41.282 13.059 1.00 1.00 ATOM 268 CA SER 180 22.052 42.854 13.042 1.00 1.00 ATOM 269 CA THR 181 24.945 43.169 15.429 1.00 1.00 ATOM 270 CA ASP 182 22.730 45.425 17.546 1.00 1.00 ATOM 271 CA VAL 183 19.897 42.973 18.212 1.00 1.00 ATOM 272 CA GLU 184 22.524 40.246 18.516 1.00 1.00 ATOM 273 CA GLU 185 23.875 42.078 21.560 1.00 1.00 ATOM 274 CA THR 186 20.543 41.925 23.381 1.00 1.00 ATOM 275 CA LEU 187 20.308 38.268 22.502 1.00 1.00 ATOM 276 CA LYS 188 23.761 37.708 23.935 1.00 1.00 ATOM 277 CA ARG 189 22.624 38.877 27.368 1.00 1.00 ATOM 278 CA ILE 190 20.010 36.111 27.364 1.00 1.00 ATOM 279 CA GLN 191 22.637 33.547 26.270 1.00 1.00 ATOM 280 CA ASN 192 25.010 34.217 29.131 1.00 1.00 ATOM 281 CA ASN 193 22.149 33.931 31.628 1.00 1.00 ATOM 282 CA ASP 194 20.146 30.904 30.451 1.00 1.00 ATOM 283 CA PRO 195 21.907 27.542 30.296 1.00 1.00 ATOM 284 CA ASP 196 18.581 26.070 29.197 1.00 1.00 ATOM 285 CA LEU 197 18.852 27.512 25.669 1.00 1.00 ATOM 286 CA GLU 198 20.594 24.825 23.594 1.00 1.00 ATOM 287 CA GLU 199 19.747 25.544 19.967 1.00 1.00 ATOM 288 CA VAL 200 19.871 28.860 18.175 1.00 1.00 ATOM 289 CA ASN 201 19.373 29.590 14.500 1.00 1.00 ATOM 290 CA LEU 202 20.612 33.007 13.404 1.00 1.00 ATOM 291 CA ASN 203 21.138 32.093 9.743 1.00 1.00 ATOM 292 CA ASN 204 20.538 34.864 7.253 1.00 1.00 ATOM 293 CA MET 206 20.868 37.842 9.628 1.00 1.00 ATOM 294 CA ASN 207 23.409 40.463 8.555 1.00 1.00 ATOM 295 CA ILE 208 25.416 40.197 11.779 1.00 1.00 ATOM 296 CA PRO 209 28.876 40.705 10.306 1.00 1.00 ATOM 297 CA VAL 210 32.165 40.040 12.027 1.00 1.00 ATOM 298 CA PRO 211 30.870 42.412 14.706 1.00 1.00 ATOM 299 CA THR 212 27.973 40.085 15.593 1.00 1.00 ATOM 300 CA LEU 213 30.336 37.096 15.347 1.00 1.00 ATOM 301 CA LYS 214 32.628 38.706 17.920 1.00 1.00 ATOM 302 CA ALA 215 29.753 39.232 20.338 1.00 1.00 ATOM 303 CA CYS 216 28.641 35.638 19.925 1.00 1.00 ATOM 304 CA ALA 217 32.125 34.238 20.441 1.00 1.00 ATOM 305 CA GLU 218 32.687 36.333 23.555 1.00 1.00 ATOM 306 CA ALA 219 29.444 35.019 25.115 1.00 1.00 ATOM 307 CA LEU 220 30.299 31.473 24.008 1.00 1.00 ATOM 308 CA LYS 221 33.451 31.699 26.092 1.00 1.00 ATOM 309 CA THR 222 31.631 33.136 29.056 1.00 1.00 ATOM 310 CA ASN 223 30.458 30.619 31.663 1.00 1.00 ATOM 311 CA THR 224 26.686 30.247 31.704 1.00 1.00 ATOM 312 CA TYR 225 26.105 29.934 27.987 1.00 1.00 ATOM 314 CA VAL 226 24.529 26.490 23.682 1.00 1.00 ATOM 315 CA LYS 227 24.991 23.218 21.816 1.00 1.00 ATOM 316 CA LYS 228 23.986 24.139 18.271 1.00 1.00 ATOM 317 CA PHE 229 24.597 27.411 16.450 1.00 1.00 ATOM 318 CA SER 230 23.485 27.848 12.849 1.00 1.00 ATOM 319 CA ILE 231 24.996 31.030 11.503 1.00 1.00 ATOM 320 CA VAL 232 24.936 30.405 7.786 1.00 1.00 ATOM 321 CA GLY 233 24.983 33.501 5.528 1.00 1.00 ATOM 322 CA THR 234 25.608 35.995 8.309 1.00 1.00 ATOM 323 CA ARG 235 28.172 38.146 6.486 1.00 1.00 ATOM 324 CA SER 236 31.114 36.794 8.435 1.00 1.00 ATOM 325 CA ASN 237 34.570 37.029 6.852 1.00 1.00 ATOM 326 CA ASP 238 37.936 35.536 7.701 1.00 1.00 ATOM 327 CA PRO 239 38.270 38.222 10.406 1.00 1.00 ATOM 328 CA VAL 240 35.913 36.425 12.791 1.00 1.00 ATOM 329 CA ALA 241 37.713 33.064 12.515 1.00 1.00 ATOM 330 CA PHE 242 40.307 33.864 15.155 1.00 1.00 ATOM 331 CA ALA 243 37.422 34.129 17.530 1.00 1.00 ATOM 332 CA LEU 244 35.493 31.079 16.447 1.00 1.00 ATOM 333 CA ALA 245 38.850 29.351 16.658 1.00 1.00 ATOM 334 CA GLU 246 39.021 30.260 20.331 1.00 1.00 ATOM 335 CA MET 247 35.579 28.882 21.128 1.00 1.00 ATOM 336 CA LEU 248 36.297 25.568 19.340 1.00 1.00 ATOM 337 CA LYS 249 39.515 25.230 21.330 1.00 1.00 ATOM 338 CA VAL 250 37.832 26.085 24.627 1.00 1.00 ATOM 339 CA ASN 251 34.048 25.720 24.691 1.00 1.00 ATOM 340 CA ASN 252 32.977 22.362 26.094 1.00 1.00 ATOM 341 CA THR 253 29.287 22.505 25.154 1.00 1.00 ATOM 342 CA LEU 254 29.116 23.521 21.491 1.00 1.00 ATOM 343 CA LYS 255 28.854 20.441 19.270 1.00 1.00 ATOM 344 CA SER 256 27.302 21.898 16.146 1.00 1.00 ATOM 345 CA LEU 257 28.485 24.848 14.126 1.00 1.00 ATOM 346 CA ASN 258 27.155 25.897 10.729 1.00 1.00 ATOM 347 CA VAL 259 29.181 28.768 9.231 1.00 1.00 ATOM 348 CA GLU 260 28.270 27.855 5.679 1.00 1.00 ATOM 349 CA SER 261 27.777 30.596 3.092 1.00 1.00 ATOM 350 CA ASN 262 30.234 33.020 4.681 1.00 1.00 ATOM 351 CA PHE 263 33.486 34.082 2.922 1.00 1.00 ATOM 352 CA ILE 264 35.904 32.550 5.409 1.00 1.00 ATOM 353 CA SER 265 38.493 31.862 2.732 1.00 1.00 ATOM 354 CA GLY 266 41.489 29.563 3.079 1.00 1.00 ATOM 355 CA SER 267 42.798 31.902 5.775 1.00 1.00 ATOM 356 CA GLY 268 39.652 31.863 7.900 1.00 1.00 ATOM 357 CA ILE 269 39.440 28.123 7.569 1.00 1.00 ATOM 358 CA LEU 270 43.107 27.481 8.473 1.00 1.00 ATOM 359 CA ALA 271 42.364 29.471 11.667 1.00 1.00 ATOM 360 CA LEU 272 39.333 27.392 12.563 1.00 1.00 ATOM 361 CA VAL 273 41.408 24.196 12.189 1.00 1.00 ATOM 362 CA GLU 274 43.942 25.320 14.810 1.00 1.00 ATOM 363 CA ALA 275 41.317 25.627 17.514 1.00 1.00 ATOM 364 CA LEU 276 39.758 22.348 16.359 1.00 1.00 ATOM 365 CA GLN 277 43.016 20.454 16.658 1.00 1.00 ATOM 366 CA SER 278 43.421 21.409 20.308 1.00 1.00 ATOM 367 CA ASN 279 43.378 18.543 22.798 1.00 1.00 ATOM 368 CA THR 280 39.914 18.213 24.299 1.00 1.00 ATOM 369 CA SER 281 37.888 19.981 21.551 1.00 1.00 ATOM 371 CA LEU 282 32.669 19.736 18.002 1.00 1.00 ATOM 372 CA ILE 283 30.787 16.923 16.281 1.00 1.00 ATOM 373 CA GLU 284 29.231 18.531 13.256 1.00 1.00 ATOM 374 CA LEU 285 30.837 21.340 11.277 1.00 1.00 ATOM 375 CA ARG 286 29.302 22.870 8.125 1.00 1.00 ATOM 376 CA ILE 287 31.749 24.792 5.879 1.00 1.00 ATOM 377 CA ASP 288 29.882 24.699 2.559 1.00 1.00 ATOM 378 CA ASN 289 30.427 27.624 0.182 1.00 1.00 ATOM 379 CA GLN 290 33.091 29.313 2.349 1.00 1.00 ATOM 380 CA SER 291 35.733 30.176 -0.320 1.00 1.00 ATOM 381 CA GLN 292 37.945 27.217 0.674 1.00 1.00 ATOM 382 CA GLY 295 40.371 25.646 -1.816 1.00 1.00 ATOM 383 CA ASN 296 43.174 23.072 -2.056 1.00 1.00 ATOM 384 CA ASN 297 45.213 25.455 0.151 1.00 1.00 ATOM 385 CA VAL 298 43.188 24.725 3.304 1.00 1.00 ATOM 386 CA GLU 299 43.044 20.977 2.659 1.00 1.00 ATOM 387 CA MET 300 46.367 20.049 4.328 1.00 1.00 ATOM 388 CA GLU 301 45.228 21.927 7.396 1.00 1.00 ATOM 389 CA ILE 302 41.830 20.159 7.287 1.00 1.00 ATOM 390 CA ALA 303 43.412 16.751 6.674 1.00 1.00 ATOM 391 CA ASN 304 45.703 17.195 9.718 1.00 1.00 ATOM 392 CA MET 305 42.850 18.285 11.970 1.00 1.00 ATOM 393 CA LEU 306 40.814 15.243 10.907 1.00 1.00 ATOM 394 CA GLU 307 43.536 13.183 12.577 1.00 1.00 ATOM 395 CA LYS 308 44.387 15.597 15.395 1.00 1.00 ATOM 396 CA ASN 309 40.793 16.147 16.570 1.00 1.00 ATOM 397 CA THR 310 38.697 13.164 17.624 1.00 1.00 ATOM 398 CA THR 311 35.242 14.540 18.200 1.00 1.00 ATOM 399 CA LEU 312 34.243 15.404 14.640 1.00 1.00 ATOM 400 CA LEU 313 31.668 13.056 13.141 1.00 1.00 ATOM 401 CA LYS 314 30.289 15.014 10.231 1.00 1.00 ATOM 402 CA PHE 315 31.895 17.520 7.829 1.00 1.00 ATOM 403 CA GLY 316 30.305 19.419 4.930 1.00 1.00 ATOM 404 CA TYR 317 32.640 21.092 2.435 1.00 1.00 ATOM 405 CA HIS 318 30.139 21.345 -0.422 1.00 1.00 ATOM 406 CA PHE 319 30.400 24.107 -3.007 1.00 1.00 ATOM 407 CA THR 320 34.058 24.830 -2.317 1.00 1.00 ATOM 408 CA GLN 321 36.669 24.662 -5.115 1.00 1.00 ATOM 409 CA GLN 322 38.556 21.891 -3.489 1.00 1.00 ATOM 410 CA GLY 323 40.426 20.207 -6.249 1.00 1.00 ATOM 411 CA PRO 324 41.695 16.729 -7.013 1.00 1.00 ATOM 412 CA ARG 325 44.716 17.851 -5.038 1.00 1.00 ATOM 413 CA LEU 326 42.601 18.954 -2.121 1.00 1.00 ATOM 414 CA ARG 327 40.310 15.946 -2.183 1.00 1.00 ATOM 415 CA ALA 328 43.293 13.611 -2.309 1.00 1.00 ATOM 416 CA SER 329 44.634 15.063 0.914 1.00 1.00 ATOM 417 CA ASN 330 41.300 14.565 2.634 1.00 1.00 ATOM 418 CA ALA 331 41.064 10.989 1.398 1.00 1.00 ATOM 419 CA MET 332 44.446 10.120 2.908 1.00 1.00 ATOM 420 CA MET 333 43.238 11.213 6.342 1.00 1.00 ATOM 421 CA ASN 334 39.693 9.826 6.197 1.00 1.00 ATOM 422 CA ASN 335 41.157 6.451 5.058 1.00 1.00 ATOM 423 CA ASN 336 43.014 6.017 8.348 1.00 1.00 ATOM 424 CA ASP 337 41.292 3.975 11.097 1.00 1.00 ATOM 425 CA LEU 338 42.348 6.670 13.526 1.00 1.00 ATOM 426 CA VAL 339 39.857 8.925 11.774 1.00 1.00 ATOM 427 CA ARG 340 36.413 8.432 13.324 1.00 1.00 ATOM 428 CA LYS 341 34.549 10.761 10.891 1.00 1.00 ATOM 429 CA ARG 342 31.278 9.164 9.753 1.00 1.00 ATOM 430 CA ARG 343 29.911 11.568 7.171 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:25:29 2002 Date: Sun, 18 Aug 2002 09:25:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 08:57:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_712351_27028 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS007_3 Current information on models submitted in prediction T0164TS007 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_3 PIN_712351_27028 6269-7633-6117 08/18/02 08:57:39 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_3 PIN_712351_27028 6269-7633-6117 08/18/02 08:57:39 casp5@bialko.llnl.gov T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1A4Y_A # Loading PARENT structure: 1a4y (chain: A) # Number of residues in PARENT structure: 460 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # 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 M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 292 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # IMPORTANT NOTE! Not complete main chain atoms for residue M 333 # IMPORTANT NOTE! Not complete main chain atoms for residue N 334 # IMPORTANT NOTE! Not complete main chain atoms for residue N 335 # IMPORTANT NOTE! Not complete main chain atoms for residue N 336 # IMPORTANT NOTE! Not complete main chain atoms for residue D 337 # IMPORTANT NOTE! Not complete main chain atoms for residue L 338 # IMPORTANT NOTE! Not complete main chain atoms for residue V 339 # IMPORTANT NOTE! Not complete main chain atoms for residue R 340 # IMPORTANT NOTE! Not complete main chain atoms for residue K 341 # IMPORTANT NOTE! Not complete main chain atoms for residue R 342 # IMPORTANT NOTE! Not complete main chain atoms for residue R 343 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 162 # Total number of atoms in model: 162 # Number of atoms with 1.0 occupancy: 162 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 162 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1A4Y_A ATOM 267 CA ASN 179 29.692 3.243 49.611 1.00 1.00 ATOM 268 CA SER 180 28.624 5.052 52.798 1.00 1.00 ATOM 269 CA THR 181 28.110 8.741 53.594 1.00 1.00 ATOM 270 CA ASP 182 31.905 9.190 53.614 1.00 1.00 ATOM 271 CA VAL 183 32.572 8.321 49.972 1.00 1.00 ATOM 272 CA GLU 184 29.364 10.153 49.250 1.00 1.00 ATOM 273 CA GLU 185 31.141 13.278 50.422 1.00 1.00 ATOM 274 CA THR 186 34.027 12.616 48.006 1.00 1.00 ATOM 275 CA LEU 187 31.527 12.013 45.286 1.00 1.00 ATOM 276 CA LYS 188 29.859 15.344 46.039 1.00 1.00 ATOM 277 CA ARG 189 33.058 17.262 45.410 1.00 1.00 ATOM 278 CA ILE 190 32.761 15.872 41.870 1.00 1.00 ATOM 279 CA GLN 191 29.039 16.594 41.344 1.00 1.00 ATOM 280 CA ASN 192 29.418 20.234 42.240 1.00 1.00 ATOM 281 CA ASN 193 32.381 20.652 39.883 1.00 1.00 ATOM 282 CA ASP 194 31.221 18.748 36.790 1.00 1.00 ATOM 283 CA PRO 195 28.190 19.999 34.853 1.00 1.00 ATOM 284 CA ASP 196 28.724 17.157 32.351 1.00 1.00 ATOM 285 CA LEU 197 27.598 14.391 34.722 1.00 1.00 ATOM 286 CA GLU 198 23.911 13.769 34.037 1.00 1.00 ATOM 287 CA GLU 199 23.095 10.343 35.473 1.00 1.00 ATOM 288 CA VAL 200 24.122 8.776 38.715 1.00 1.00 ATOM 289 CA ASN 201 23.092 5.453 40.228 1.00 1.00 ATOM 290 CA LEU 202 23.801 5.029 43.914 1.00 1.00 ATOM 291 CA ASN 203 21.125 2.440 44.647 1.00 1.00 ATOM 292 CA ASN 204 21.929 -0.180 47.278 1.00 1.00 ATOM 293 CA MET 206 24.592 1.783 49.204 1.00 1.00 ATOM 294 CA ASN 207 24.041 2.562 52.891 1.00 1.00 ATOM 295 CA ILE 208 24.264 6.327 52.530 1.00 1.00 ATOM 296 CA PRO 209 21.720 7.145 55.242 1.00 1.00 ATOM 297 CA VAL 210 20.038 10.533 55.766 1.00 1.00 ATOM 298 CA PRO 211 23.508 11.955 56.304 1.00 1.00 ATOM 299 CA THR 212 24.212 10.824 52.711 1.00 1.00 ATOM 300 CA LEU 213 20.907 12.290 51.469 1.00 1.00 ATOM 301 CA LYS 214 21.838 15.483 53.270 1.00 1.00 ATOM 302 CA ALA 215 25.132 15.875 51.423 1.00 1.00 ATOM 303 CA CYS 216 23.477 15.022 48.095 1.00 1.00 ATOM 304 CA ALA 217 20.658 17.496 48.573 1.00 1.00 ATOM 305 CA GLU 218 23.053 20.313 49.515 1.00 1.00 ATOM 306 CA ALA 219 24.968 19.642 46.334 1.00 1.00 ATOM 307 CA LEU 220 21.807 19.478 44.223 1.00 1.00 ATOM 308 CA LYS 221 20.950 22.965 45.444 1.00 1.00 ATOM 309 CA THR 222 24.301 24.481 44.450 1.00 1.00 ATOM 310 CA ASN 223 25.413 25.826 41.062 1.00 1.00 ATOM 311 CA THR 224 27.513 23.580 38.805 1.00 1.00 ATOM 312 CA TYR 225 25.528 20.421 39.535 1.00 1.00 ATOM 314 CA VAL 226 22.479 16.008 37.324 1.00 1.00 ATOM 315 CA LYS 227 19.277 14.970 35.493 1.00 1.00 ATOM 316 CA LYS 228 18.645 11.481 36.915 1.00 1.00 ATOM 317 CA PHE 229 19.352 10.207 40.393 1.00 1.00 ATOM 318 CA SER 230 18.619 6.578 41.405 1.00 1.00 ATOM 319 CA ILE 231 18.788 6.162 45.171 1.00 1.00 ATOM 320 CA VAL 232 16.664 3.078 45.732 1.00 1.00 ATOM 321 CA GLY 233 17.456 1.309 49.008 1.00 1.00 ATOM 322 CA THR 234 19.966 3.851 50.422 1.00 1.00 ATOM 323 CA ARG 235 18.693 3.733 54.012 1.00 1.00 ATOM 324 CA SER 236 16.759 6.977 53.828 1.00 1.00 ATOM 325 CA ASN 237 14.012 7.677 56.348 1.00 1.00 ATOM 326 CA ASP 238 11.296 10.306 56.643 1.00 1.00 ATOM 327 CA PRO 239 13.983 12.638 58.009 1.00 1.00 ATOM 328 CA VAL 240 15.648 13.331 54.645 1.00 1.00 ATOM 329 CA ALA 241 12.438 14.332 52.900 1.00 1.00 ATOM 330 CA PHE 242 12.559 17.978 53.961 1.00 1.00 ATOM 331 CA ALA 243 15.823 18.281 52.001 1.00 1.00 ATOM 332 CA LEU 244 14.517 16.394 48.995 1.00 1.00 ATOM 333 CA ALA 245 11.464 18.636 49.084 1.00 1.00 ATOM 334 CA GLU 246 13.785 21.658 48.682 1.00 1.00 ATOM 335 CA MET 247 15.562 20.139 45.688 1.00 1.00 ATOM 336 CA LEU 248 12.195 19.415 44.003 1.00 1.00 ATOM 337 CA LYS 249 10.926 22.960 44.494 1.00 1.00 ATOM 338 CA VAL 250 14.223 24.690 43.639 1.00 1.00 ATOM 339 CA ASN 251 16.430 22.497 41.420 1.00 1.00 ATOM 340 CA ASN 252 15.697 22.898 37.725 1.00 1.00 ATOM 341 CA THR 253 17.864 20.069 36.298 1.00 1.00 ATOM 342 CA LEU 254 16.712 16.928 38.089 1.00 1.00 ATOM 343 CA LYS 255 14.003 15.246 36.038 1.00 1.00 ATOM 344 CA SER 256 14.122 11.706 37.424 1.00 1.00 ATOM 345 CA LEU 257 14.357 10.625 41.019 1.00 1.00 ATOM 346 CA ASN 258 14.135 7.042 42.250 1.00 1.00 ATOM 347 CA VAL 259 13.716 6.799 46.040 1.00 1.00 ATOM 348 CA GLU 260 11.903 3.457 46.151 1.00 1.00 ATOM 349 CA SER 261 12.590 0.971 48.947 1.00 1.00 ATOM 350 CA ASN 262 13.335 3.693 51.487 1.00 1.00 ATOM 351 CA PHE 263 11.235 4.029 54.650 1.00 1.00 ATOM 352 CA ILE 264 9.993 7.549 54.064 1.00 1.00 ATOM 353 CA SER 265 6.500 6.851 55.467 1.00 1.00 ATOM 354 CA GLY 266 3.519 9.134 54.966 1.00 1.00 ATOM 355 CA SER 267 5.454 11.884 56.781 1.00 1.00 ATOM 356 CA GLY 268 8.336 12.048 54.338 1.00 1.00 ATOM 357 CA ILE 269 6.003 11.691 51.369 1.00 1.00 ATOM 358 CA LEU 270 3.737 14.566 52.476 1.00 1.00 ATOM 359 CA ALA 271 6.815 16.847 52.487 1.00 1.00 ATOM 360 CA LEU 272 8.190 15.592 49.160 1.00 1.00 ATOM 361 CA VAL 273 4.741 16.515 47.967 1.00 1.00 ATOM 362 CA GLU 274 5.160 20.070 49.249 1.00 1.00 ATOM 363 CA ALA 275 8.205 20.849 47.136 1.00 1.00 ATOM 364 CA LEU 276 6.817 19.019 44.123 1.00 1.00 ATOM 365 CA GLN 277 3.562 20.957 44.235 1.00 1.00 ATOM 366 CA SER 278 5.377 24.248 43.761 1.00 1.00 ATOM 367 CA ASN 279 5.307 26.297 40.537 1.00 1.00 ATOM 368 CA THR 280 8.121 25.800 38.092 1.00 1.00 ATOM 369 CA SER 281 8.886 22.336 39.545 1.00 1.00 ATOM 371 CA LEU 282 10.468 16.518 37.942 1.00 1.00 ATOM 372 CA ILE 283 9.225 14.180 35.181 1.00 1.00 ATOM 373 CA GLU 284 9.515 10.685 36.753 1.00 1.00 ATOM 374 CA LEU 285 9.188 9.766 40.406 1.00 1.00 ATOM 375 CA ARG 286 9.533 6.250 41.796 1.00 1.00 ATOM 376 CA ILE 287 8.039 5.823 45.292 1.00 1.00 ATOM 377 CA ASP 288 7.591 2.041 45.257 1.00 1.00 ATOM 378 CA ASN 289 7.719 0.287 48.634 1.00 1.00 ATOM 379 CA GLN 290 8.146 3.516 50.598 1.00 1.00 ATOM 380 CA SER 291 5.856 2.844 53.584 1.00 1.00 ATOM 381 CA GLN 292 3.032 4.882 51.997 1.00 1.00 ATOM 382 CA GLY 295 -0.557 4.414 53.252 1.00 1.00 ATOM 383 CA ASN 296 -3.984 5.811 52.306 1.00 1.00 ATOM 384 CA ASN 297 -2.749 8.767 54.398 1.00 1.00 ATOM 385 CA VAL 298 -0.464 10.301 51.733 1.00 1.00 ATOM 386 CA GLU 299 -2.949 9.820 48.925 1.00 1.00 ATOM 387 CA MET 300 -4.618 13.189 49.579 1.00 1.00 ATOM 388 CA GLU 301 -1.305 15.059 49.262 1.00 1.00 ATOM 389 CA ILE 302 -0.366 13.005 46.224 1.00 1.00 ATOM 390 CA ALA 303 -3.804 13.662 44.728 1.00 1.00 ATOM 391 CA ASN 304 -3.354 17.407 45.102 1.00 1.00 ATOM 392 CA MET 305 0.301 17.471 43.984 1.00 1.00 ATOM 393 CA LEU 306 -0.774 15.721 40.782 1.00 1.00 ATOM 394 CA GLU 307 -2.920 18.743 40.056 1.00 1.00 ATOM 395 CA LYS 308 -0.604 21.452 41.493 1.00 1.00 ATOM 396 CA ASN 309 2.464 20.138 39.665 1.00 1.00 ATOM 397 CA THR 310 2.584 20.014 35.873 1.00 1.00 ATOM 398 CA THR 311 5.853 18.264 35.174 1.00 1.00 ATOM 399 CA LEU 312 5.233 14.678 36.294 1.00 1.00 ATOM 400 CA LEU 313 4.573 12.220 33.471 1.00 1.00 ATOM 401 CA LYS 314 5.272 8.955 35.284 1.00 1.00 ATOM 402 CA PHE 315 4.647 7.883 38.868 1.00 1.00 ATOM 403 CA GLY 316 5.453 4.533 40.506 1.00 1.00 ATOM 404 CA TYR 317 3.682 3.747 43.809 1.00 1.00 ATOM 405 CA HIS 318 4.092 -0.042 43.683 1.00 1.00 ATOM 406 CA PHE 319 4.110 -2.229 46.768 1.00 1.00 ATOM 407 CA THR 320 2.661 0.351 49.115 1.00 1.00 ATOM 408 CA GLN 321 -0.076 -0.423 51.633 1.00 1.00 ATOM 409 CA GLN 322 -2.266 2.034 49.835 1.00 1.00 ATOM 410 CA GLY 323 -5.912 1.044 49.846 1.00 1.00 ATOM 411 CA PRO 324 -9.273 1.344 48.061 1.00 1.00 ATOM 412 CA ARG 325 -9.537 4.636 49.932 1.00 1.00 ATOM 413 CA LEU 326 -6.170 5.986 48.787 1.00 1.00 ATOM 414 CA ARG 327 -6.614 4.765 45.247 1.00 1.00 ATOM 415 CA ALA 328 -9.953 6.525 44.854 1.00 1.00 ATOM 416 CA SER 329 -8.309 9.856 45.661 1.00 1.00 ATOM 417 CA ASN 330 -5.761 9.296 42.937 1.00 1.00 ATOM 418 CA ALA 331 -8.379 8.161 40.382 1.00 1.00 ATOM 419 CA MET 332 -10.017 11.489 41.176 1.00 1.00 ATOM 420 CA MET 333 -7.124 13.748 40.162 1.00 1.00 ATOM 421 CA ASN 334 -5.817 11.650 37.333 1.00 1.00 ATOM 422 CA ASN 335 -9.239 11.696 35.676 1.00 1.00 ATOM 423 CA ASN 336 -8.899 15.515 35.393 1.00 1.00 ATOM 424 CA ASP 337 -7.980 16.773 31.908 1.00 1.00 ATOM 425 CA LEU 338 -5.699 19.173 33.709 1.00 1.00 ATOM 426 CA VAL 339 -3.606 16.292 35.019 1.00 1.00 ATOM 427 CA ARG 340 -1.040 15.460 32.397 1.00 1.00 ATOM 428 CA LYS 341 0.407 12.237 33.940 1.00 1.00 ATOM 429 CA ARG 342 0.933 9.513 31.342 1.00 1.00 ATOM 430 CA ARG 343 1.844 6.439 33.365 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:33:18 2002 Date: Sun, 18 Aug 2002 09:33:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 09:05:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_189474_27052 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS007_4 Current information on models submitted in prediction T0164TS007 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_4 PIN_189474_27052 6269-7633-6117 08/18/02 09:05:10 casp5@bialko.llnl.gov T0164TS007_3 PIN_712351_27028 6269-7633-6117 08/18/02 08:57:39 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_3 PIN_712351_27028 6269-7633-6117 08/18/02 08:57:39 casp5@bialko.llnl.gov T0164TS007_4 PIN_189474_27052 6269-7633-6117 08/18/02 09:05:10 casp5@bialko.llnl.gov T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 2BNH # Loading PARENT structure: 2bnh (chain: ) # Number of residues in PARENT structure: 456 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # 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 M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 292 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # IMPORTANT NOTE! Not complete main chain atoms for residue M 333 # IMPORTANT NOTE! Not complete main chain atoms for residue N 334 # IMPORTANT NOTE! Not complete main chain atoms for residue N 335 # IMPORTANT NOTE! Not complete main chain atoms for residue N 336 # IMPORTANT NOTE! Not complete main chain atoms for residue D 337 # IMPORTANT NOTE! Not complete main chain atoms for residue L 338 # IMPORTANT NOTE! Not complete main chain atoms for residue V 339 # IMPORTANT NOTE! Not complete main chain atoms for residue R 340 # IMPORTANT NOTE! Not complete main chain atoms for residue K 341 # IMPORTANT NOTE! Not complete main chain atoms for residue R 342 # IMPORTANT NOTE! Not complete main chain atoms for residue R 343 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 162 # Total number of atoms in model: 162 # Number of atoms with 1.0 occupancy: 162 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 162 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 2BNH ATOM 263 CA ASN 179 2.771 47.693 32.685 1.00 1.00 ATOM 264 CA SER 180 -0.109 50.207 32.284 1.00 1.00 ATOM 265 CA THR 181 -0.553 53.859 31.378 1.00 1.00 ATOM 266 CA ASP 182 0.831 54.837 34.807 1.00 1.00 ATOM 267 CA VAL 183 4.032 53.081 33.857 1.00 1.00 ATOM 268 CA GLU 184 4.066 54.308 30.314 1.00 1.00 ATOM 269 CA GLU 185 4.438 57.876 31.624 1.00 1.00 ATOM 270 CA THR 186 7.714 56.882 33.157 1.00 1.00 ATOM 271 CA LEU 187 8.815 55.288 29.896 1.00 1.00 ATOM 272 CA LYS 188 8.181 58.512 27.998 1.00 1.00 ATOM 273 CA ARG 189 10.758 60.564 29.910 1.00 1.00 ATOM 274 CA ILE 190 13.292 57.966 28.764 1.00 1.00 ATOM 275 CA GLN 191 11.810 57.993 25.281 1.00 1.00 ATOM 276 CA ASN 192 12.382 61.696 24.967 1.00 1.00 ATOM 277 CA ASN 193 15.910 61.869 26.383 1.00 1.00 ATOM 278 CA ASP 194 17.606 58.812 24.951 1.00 1.00 ATOM 279 CA PRO 195 18.511 59.366 21.329 1.00 1.00 ATOM 280 CA ASP 196 20.017 55.845 21.190 1.00 1.00 ATOM 281 CA LEU 197 17.039 53.761 22.352 1.00 1.00 ATOM 282 CA GLU 198 15.683 52.708 18.964 1.00 1.00 ATOM 283 CA GLU 199 13.406 49.696 19.524 1.00 1.00 ATOM 284 CA VAL 200 10.706 49.304 22.132 1.00 1.00 ATOM 285 CA ASN 201 8.279 46.492 22.370 1.00 1.00 ATOM 286 CA LEU 202 5.465 47.061 24.782 1.00 1.00 ATOM 287 CA ASN 203 3.166 44.468 23.274 1.00 1.00 ATOM 288 CA ASN 204 0.834 42.546 25.587 1.00 1.00 ATOM 289 CA MET 206 0.720 45.281 28.219 1.00 1.00 ATOM 290 CA ASN 207 -2.723 46.673 28.987 1.00 1.00 ATOM 291 CA ILE 208 -1.720 50.208 28.036 1.00 1.00 ATOM 292 CA PRO 209 -5.060 51.272 26.624 1.00 1.00 ATOM 293 CA VAL 210 -5.831 54.369 24.573 1.00 1.00 ATOM 294 CA PRO 211 -4.557 56.585 27.369 1.00 1.00 ATOM 295 CA THR 212 -1.180 54.932 26.976 1.00 1.00 ATOM 296 CA LEU 213 -1.225 55.092 23.228 1.00 1.00 ATOM 297 CA LYS 214 -1.742 58.817 23.630 1.00 1.00 ATOM 298 CA ALA 215 1.227 59.184 25.909 1.00 1.00 ATOM 299 CA CYS 216 3.391 57.207 23.525 1.00 1.00 ATOM 300 CA ALA 217 2.301 59.613 20.768 1.00 1.00 ATOM 301 CA GLU 218 2.867 62.623 22.979 1.00 1.00 ATOM 302 CA ALA 219 6.475 61.467 23.074 1.00 1.00 ATOM 303 CA LEU 220 6.722 60.442 19.459 1.00 1.00 ATOM 304 CA LYS 221 5.895 64.051 18.520 1.00 1.00 ATOM 305 CA THR 222 8.902 65.473 20.313 1.00 1.00 ATOM 306 CA ASN 223 11.540 65.910 17.553 1.00 1.00 ATOM 307 CA THR 224 14.251 64.891 20.039 1.00 1.00 ATOM 308 CA TYR 225 12.695 61.385 20.083 1.00 1.00 ATOM 310 CA VAL 226 12.477 55.615 18.270 1.00 1.00 ATOM 311 CA LYS 227 12.474 53.553 15.101 1.00 1.00 ATOM 312 CA LYS 228 10.295 50.580 16.041 1.00 1.00 ATOM 313 CA PHE 229 7.378 50.506 18.376 1.00 1.00 ATOM 314 CA SER 230 5.486 47.336 19.099 1.00 1.00 ATOM 315 CA ILE 231 2.137 47.718 20.846 1.00 1.00 ATOM 316 CA VAL 232 0.485 44.505 19.780 1.00 1.00 ATOM 317 CA GLY 233 -2.384 43.258 21.964 1.00 1.00 ATOM 318 CA THR 234 -2.381 46.379 24.111 1.00 1.00 ATOM 319 CA ARG 235 -6.148 46.967 24.457 1.00 1.00 ATOM 320 CA SER 236 -6.138 49.826 22.039 1.00 1.00 ATOM 321 CA ASN 237 -9.399 50.791 20.338 1.00 1.00 ATOM 322 CA ASP 238 -10.217 52.900 17.304 1.00 1.00 ATOM 323 CA PRO 239 -10.354 55.812 19.816 1.00 1.00 ATOM 324 CA VAL 240 -6.558 56.318 19.621 1.00 1.00 ATOM 325 CA ALA 241 -6.245 56.268 15.877 1.00 1.00 ATOM 326 CA PHE 242 -6.509 60.057 15.781 1.00 1.00 ATOM 327 CA ALA 243 -3.298 60.350 17.734 1.00 1.00 ATOM 328 CA LEU 244 -1.405 57.553 15.981 1.00 1.00 ATOM 329 CA ALA 245 -2.570 59.366 12.825 1.00 1.00 ATOM 330 CA GLU 246 -1.429 62.801 13.825 1.00 1.00 ATOM 331 CA MET 247 1.915 61.468 15.141 1.00 1.00 ATOM 332 CA LEU 248 2.305 59.540 11.890 1.00 1.00 ATOM 333 CA LYS 249 1.988 62.783 9.969 1.00 1.00 ATOM 334 CA VAL 250 4.667 64.714 11.819 1.00 1.00 ATOM 335 CA ASN 251 7.243 62.091 12.751 1.00 1.00 ATOM 336 CA ASN 252 10.255 61.388 10.541 1.00 1.00 ATOM 337 CA THR 253 11.971 58.612 12.521 1.00 1.00 ATOM 338 CA LEU 254 9.401 55.896 13.283 1.00 1.00 ATOM 339 CA LYS 255 9.910 53.363 10.488 1.00 1.00 ATOM 340 CA SER 256 8.065 50.405 11.911 1.00 1.00 ATOM 341 CA LEU 257 4.788 50.347 13.897 1.00 1.00 ATOM 342 CA ASN 258 3.162 47.146 15.105 1.00 1.00 ATOM 343 CA VAL 259 -0.532 47.525 15.921 1.00 1.00 ATOM 344 CA GLU 260 -1.793 43.952 15.538 1.00 1.00 ATOM 345 CA SER 261 -4.359 42.217 17.757 1.00 1.00 ATOM 346 CA ASN 262 -6.057 45.471 18.589 1.00 1.00 ATOM 347 CA PHE 263 -9.681 46.408 17.974 1.00 1.00 ATOM 348 CA ILE 264 -9.134 49.208 15.436 1.00 1.00 ATOM 349 CA SER 265 -11.939 48.191 13.077 1.00 1.00 ATOM 350 CA GLY 266 -12.650 49.856 9.741 1.00 1.00 ATOM 351 CA SER 267 -13.191 53.218 11.295 1.00 1.00 ATOM 352 CA GLY 268 -9.913 53.201 13.201 1.00 1.00 ATOM 353 CA ILE 269 -8.075 51.909 10.129 1.00 1.00 ATOM 354 CA LEU 270 -9.370 54.677 7.805 1.00 1.00 ATOM 355 CA ALA 271 -7.951 57.311 10.128 1.00 1.00 ATOM 356 CA LEU 272 -4.518 55.770 9.757 1.00 1.00 ATOM 357 CA VAL 273 -5.178 55.457 6.073 1.00 1.00 ATOM 358 CA GLU 274 -5.844 59.180 5.610 1.00 1.00 ATOM 359 CA ALA 275 -2.834 60.270 7.670 1.00 1.00 ATOM 360 CA LEU 276 -0.423 58.055 5.734 1.00 1.00 ATOM 361 CA GLN 277 -1.952 59.354 2.533 1.00 1.00 ATOM 362 CA SER 278 -0.252 62.729 2.885 1.00 1.00 ATOM 363 CA ASN 279 3.200 63.051 1.327 1.00 1.00 ATOM 364 CA THR 280 6.344 63.337 3.413 1.00 1.00 ATOM 365 CA SER 281 5.453 60.391 5.611 1.00 1.00 ATOM 367 CA LEU 282 6.459 54.951 8.168 1.00 1.00 ATOM 368 CA ILE 283 7.943 51.961 6.302 1.00 1.00 ATOM 369 CA GLU 284 6.345 48.904 7.944 1.00 1.00 ATOM 370 CA LEU 285 2.811 48.901 9.166 1.00 1.00 ATOM 371 CA ARG 286 1.264 45.865 10.842 1.00 1.00 ATOM 372 CA ILE 287 -2.500 45.400 11.178 1.00 1.00 ATOM 373 CA ASP 288 -3.032 41.724 11.775 1.00 1.00 ATOM 374 CA ASN 289 -6.178 40.847 13.791 1.00 1.00 ATOM 375 CA GLN 290 -7.598 44.374 13.927 1.00 1.00 ATOM 376 CA SER 291 -11.064 43.525 12.665 1.00 1.00 ATOM 377 CA GLN 292 -10.584 44.922 9.204 1.00 1.00 ATOM 378 CA GLY 295 -13.448 43.850 6.925 1.00 1.00 ATOM 379 CA ASN 296 -13.794 43.970 3.166 1.00 1.00 ATOM 380 CA ASN 297 -14.832 47.642 3.440 1.00 1.00 ATOM 381 CA VAL 298 -11.694 48.424 5.379 1.00 1.00 ATOM 382 CA GLU 299 -9.730 47.043 2.448 1.00 1.00 ATOM 383 CA MET 300 -11.131 49.905 0.367 1.00 1.00 ATOM 384 CA GLU 301 -9.390 52.508 2.518 1.00 1.00 ATOM 385 CA ILE 302 -6.179 50.563 2.447 1.00 1.00 ATOM 386 CA ALA 303 -6.361 49.956 -1.263 1.00 1.00 ATOM 387 CA ASN 304 -6.543 53.713 -1.873 1.00 1.00 ATOM 388 CA MET 305 -3.708 54.284 0.585 1.00 1.00 ATOM 389 CA LEU 306 -1.490 52.019 -1.400 1.00 1.00 ATOM 390 CA GLU 307 -1.901 54.293 -4.441 1.00 1.00 ATOM 391 CA LYS 308 -1.267 57.573 -2.643 1.00 1.00 ATOM 392 CA ASN 309 1.303 56.893 0.011 1.00 1.00 ATOM 393 CA THR 310 4.962 56.404 -1.085 1.00 1.00 ATOM 394 CA THR 311 6.754 55.401 2.148 1.00 1.00 ATOM 395 CA LEU 312 5.407 51.909 2.860 1.00 1.00 ATOM 396 CA LEU 313 7.293 48.762 2.011 1.00 1.00 ATOM 397 CA LYS 314 5.711 45.990 4.096 1.00 1.00 ATOM 398 CA PHE 315 2.018 45.876 5.051 1.00 1.00 ATOM 399 CA GLY 316 0.695 43.037 7.210 1.00 1.00 ATOM 400 CA TYR 317 -3.045 42.375 7.070 1.00 1.00 ATOM 401 CA HIS 318 -2.978 38.883 8.495 1.00 1.00 ATOM 402 CA PHE 319 -5.970 37.351 10.235 1.00 1.00 ATOM 403 CA THR 320 -8.656 39.947 9.586 1.00 1.00 ATOM 404 CA GLN 321 -12.205 39.652 8.324 1.00 1.00 ATOM 405 CA GLN 322 -11.191 39.655 4.726 1.00 1.00 ATOM 406 CA GLY 323 -12.451 37.549 1.854 1.00 1.00 ATOM 407 CA PRO 324 -12.173 37.644 -1.941 1.00 1.00 ATOM 408 CA ARG 325 -13.465 41.159 -2.571 1.00 1.00 ATOM 409 CA LEU 326 -11.202 42.792 0.006 1.00 1.00 ATOM 410 CA ARG 327 -8.180 40.999 -1.346 1.00 1.00 ATOM 411 CA ALA 328 -9.133 41.744 -4.971 1.00 1.00 ATOM 412 CA SER 329 -9.114 45.425 -4.225 1.00 1.00 ATOM 413 CA ASN 330 -5.648 45.078 -2.691 1.00 1.00 ATOM 414 CA ALA 331 -4.544 43.409 -5.894 1.00 1.00 ATOM 415 CA MET 332 -5.927 46.177 -8.013 1.00 1.00 ATOM 416 CA MET 333 -3.696 48.576 -6.124 1.00 1.00 ATOM 417 CA ASN 334 -0.719 46.324 -6.426 1.00 1.00 ATOM 418 CA ASN 335 -0.905 45.915 -10.167 1.00 1.00 ATOM 419 CA ASN 336 -0.086 49.613 -10.620 1.00 1.00 ATOM 420 CA ASP 337 3.438 50.744 -11.547 1.00 1.00 ATOM 421 CA LEU 338 3.348 53.562 -9.054 1.00 1.00 ATOM 422 CA VAL 339 2.695 51.137 -6.187 1.00 1.00 ATOM 423 CA ARG 340 5.933 50.366 -4.307 1.00 1.00 ATOM 424 CA LYS 341 4.834 48.002 -1.545 1.00 1.00 ATOM 425 CA ARG 342 7.405 45.230 -1.513 1.00 1.00 ATOM 426 CA ARG 343 5.425 42.871 0.660 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 09:37:39 2002 Date: Sun, 18 Aug 2002 09:37:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0164 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 09:09:43 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_232322_27067 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0164TS007_5 Current information on models submitted in prediction T0164TS007 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_5 PIN_232322_27067 6269-7633-6117 08/18/02 09:09:43 casp5@bialko.llnl.gov T0164TS007_4 PIN_189474_27052 6269-7633-6117 08/18/02 09:05:10 casp5@bialko.llnl.gov T0164TS007_3 PIN_712351_27028 6269-7633-6117 08/18/02 08:57:39 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 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 T0164 MODEL_INDEX PIN CODE DATE E-mail T0164TS007_1 PIN_699446_27023 6269-7633-6117 08/18/02 08:56:10 casp5@bialko.llnl.gov T0164TS007_2 PIN_708649_27026 6269-7633-6117 08/18/02 08:57:02 casp5@bialko.llnl.gov T0164TS007_3 PIN_712351_27028 6269-7633-6117 08/18/02 08:57:39 casp5@bialko.llnl.gov T0164TS007_4 PIN_189474_27052 6269-7633-6117 08/18/02 09:05:10 casp5@bialko.llnl.gov T0164TS007_5 PIN_232322_27067 6269-7633-6117 08/18/02 09:09:43 casp5@bialko.llnl.gov T0164SS007_1 PIN_673501_18251 6269-7633-6117 08/01/02 21:55:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1K5D_C # Loading PARENT structure: 1k5d (chain: C) # Number of residues in PARENT structure: 344 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue E 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue R 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 191 # IMPORTANT NOTE! Not complete main chain atoms for residue N 192 # IMPORTANT NOTE! Not complete main chain atoms for residue N 193 # IMPORTANT NOTE! Not complete main chain atoms for residue D 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 195 # IMPORTANT NOTE! Not complete main chain atoms for residue D 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue E 198 # IMPORTANT NOTE! Not complete main chain atoms for residue E 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue N 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue N 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue N 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue P 211 # IMPORTANT NOTE! Not complete main chain atoms for residue T 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue C 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue E 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue N 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue V 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue K 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue S 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue T 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue N 237 # IMPORTANT NOTE! Not complete main chain atoms for residue D 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue L 244 # 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 M 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 V 250 # IMPORTANT NOTE! Not complete main chain atoms for residue N 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue L 254 # IMPORTANT NOTE! Not complete main chain atoms for residue K 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue L 257 # IMPORTANT NOTE! Not complete main chain atoms for residue N 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue E 260 # IMPORTANT NOTE! Not complete main chain atoms for residue S 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue I 264 # IMPORTANT NOTE! Not complete main chain atoms for residue S 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue L 270 # IMPORTANT NOTE! Not complete main chain atoms for residue A 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue E 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue L 276 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 277 # IMPORTANT NOTE! Not complete main chain atoms for residue S 278 # IMPORTANT NOTE! Not complete main chain atoms for residue N 279 # IMPORTANT NOTE! Not complete main chain atoms for residue T 280 # IMPORTANT NOTE! Not complete main chain atoms for residue S 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue I 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue L 285 # IMPORTANT NOTE! Not complete main chain atoms for residue R 286 # IMPORTANT NOTE! Not complete main chain atoms for residue I 287 # IMPORTANT NOTE! Not complete main chain atoms for residue D 288 # IMPORTANT NOTE! Not complete main chain atoms for residue N 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 292 # IMPORTANT NOTE! Not complete main chain atoms for residue G 295 # IMPORTANT NOTE! Not complete main chain atoms for residue N 296 # IMPORTANT NOTE! Not complete main chain atoms for residue N 297 # IMPORTANT NOTE! Not complete main chain atoms for residue V 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue M 300 # IMPORTANT NOTE! Not complete main chain atoms for residue E 301 # IMPORTANT NOTE! Not complete main chain atoms for residue I 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue N 304 # IMPORTANT NOTE! Not complete main chain atoms for residue M 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue N 309 # IMPORTANT NOTE! Not complete main chain atoms for residue T 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue L 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue K 314 # IMPORTANT NOTE! Not complete main chain atoms for residue F 315 # IMPORTANT NOTE! Not complete main chain atoms for residue G 316 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 317 # IMPORTANT NOTE! Not complete main chain atoms for residue H 318 # IMPORTANT NOTE! Not complete main chain atoms for residue F 319 # IMPORTANT NOTE! Not complete main chain atoms for residue T 320 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 321 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 322 # IMPORTANT NOTE! Not complete main chain atoms for residue G 323 # IMPORTANT NOTE! Not complete main chain atoms for residue P 324 # IMPORTANT NOTE! Not complete main chain atoms for residue R 325 # IMPORTANT NOTE! Not complete main chain atoms for residue L 326 # IMPORTANT NOTE! Not complete main chain atoms for residue R 327 # IMPORTANT NOTE! Not complete main chain atoms for residue A 328 # IMPORTANT NOTE! Not complete main chain atoms for residue S 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue A 331 # IMPORTANT NOTE! Not complete main chain atoms for residue M 332 # IMPORTANT NOTE! Not complete main chain atoms for residue M 333 # IMPORTANT NOTE! Not complete main chain atoms for residue N 334 # IMPORTANT NOTE! Not complete main chain atoms for residue N 335 # IMPORTANT NOTE! Not complete main chain atoms for residue N 336 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0164 # Total number of residues in target: 166 # Total number of residues in model: 155 # Total number of atoms in model: 155 # Number of atoms with 1.0 occupancy: 155 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 155 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0164 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1K5D_C ATOM 16 CA ASN 179 -30.135 -9.883 -9.823 1.00 1.00 ATOM 17 CA SER 180 -33.843 -10.169 -10.630 1.00 1.00 ATOM 18 CA THR 181 -34.922 -13.815 -10.699 1.00 1.00 ATOM 19 CA ASP 182 -36.027 -15.512 -7.456 1.00 1.00 ATOM 20 CA VAL 183 -32.697 -17.329 -7.717 1.00 1.00 ATOM 21 CA GLU 184 -29.857 -14.798 -7.955 1.00 1.00 ATOM 22 CA GLU 185 -31.665 -12.855 -5.215 1.00 1.00 ATOM 23 CA THR 186 -31.342 -15.957 -3.015 1.00 1.00 ATOM 24 CA LEU 187 -27.554 -15.542 -3.348 1.00 1.00 ATOM 25 CA LYS 188 -27.846 -12.357 -1.355 1.00 1.00 ATOM 26 CA ARG 189 -30.419 -13.670 1.094 1.00 1.00 ATOM 27 CA ILE 190 -28.173 -13.186 4.135 1.00 1.00 ATOM 28 CA GLN 191 -27.332 -9.660 2.967 1.00 1.00 ATOM 29 CA ASN 192 -31.071 -8.921 3.008 1.00 1.00 ATOM 30 CA ASN 193 -32.305 -10.344 6.296 1.00 1.00 ATOM 31 CA ASP 194 -29.338 -9.112 8.342 1.00 1.00 ATOM 32 CA PRO 195 -28.945 -5.343 8.728 1.00 1.00 ATOM 33 CA ASP 196 -26.309 -5.928 11.433 1.00 1.00 ATOM 34 CA LEU 197 -23.598 -6.933 8.928 1.00 1.00 ATOM 35 CA GLU 198 -20.189 -5.410 9.738 1.00 1.00 ATOM 36 CA GLU 199 -18.305 -6.683 6.699 1.00 1.00 ATOM 37 CA VAL 200 -19.249 -7.238 3.067 1.00 1.00 ATOM 38 CA ASN 201 -16.989 -9.091 0.628 1.00 1.00 ATOM 39 CA LEU 202 -17.761 -9.172 -3.089 1.00 1.00 ATOM 40 CA ASN 203 -14.341 -10.096 -4.513 1.00 1.00 ATOM 41 CA ASN 204 -14.032 -12.789 -7.192 1.00 1.00 ATOM 42 CA MET 206 -17.142 -11.933 -9.223 1.00 1.00 ATOM 43 CA ASN 207 -18.221 -9.571 -12.066 1.00 1.00 ATOM 44 CA ILE 208 -20.806 -6.990 -11.182 1.00 1.00 ATOM 45 CA PRO 209 -22.786 -5.372 -13.982 1.00 1.00 ATOM 46 CA VAL 210 -24.563 -2.007 -13.728 1.00 1.00 ATOM 47 CA PRO 211 -28.047 -3.271 -12.931 1.00 1.00 ATOM 48 CA THR 212 -26.766 -5.612 -10.240 1.00 1.00 ATOM 83 CA LEU 213 -18.791 2.183 -9.378 1.00 1.00 ATOM 84 CA LYS 214 -20.752 5.392 -8.886 1.00 1.00 ATOM 85 CA ALA 215 -23.748 3.460 -7.572 1.00 1.00 ATOM 86 CA CYS 216 -21.691 1.410 -5.142 1.00 1.00 ATOM 87 CA ALA 217 -19.600 4.225 -3.712 1.00 1.00 ATOM 88 CA GLU 218 -22.765 6.280 -3.398 1.00 1.00 ATOM 89 CA ALA 219 -24.176 3.740 -1.002 1.00 1.00 ATOM 90 CA LEU 220 -20.927 3.549 0.981 1.00 1.00 ATOM 91 CA LYS 221 -20.970 7.260 1.743 1.00 1.00 ATOM 92 CA THR 222 -24.079 6.516 3.783 1.00 1.00 ATOM 93 CA ASN 223 -22.274 4.180 6.209 1.00 1.00 ATOM 94 CA THR 224 -21.040 6.091 9.312 1.00 1.00 ATOM 95 CA TYR 225 -18.769 3.363 10.705 1.00 1.00 ATOM 96 CA VAL 226 -16.983 2.300 7.468 1.00 1.00 ATOM 97 CA LYS 227 -13.288 2.761 8.339 1.00 1.00 ATOM 98 CA LYS 228 -11.815 0.356 5.768 1.00 1.00 ATOM 99 CA PHE 229 -12.437 0.199 2.029 1.00 1.00 ATOM 100 CA SER 230 -10.616 -1.924 -0.545 1.00 1.00 ATOM 101 CA ILE 231 -11.048 -1.217 -4.251 1.00 1.00 ATOM 102 CA VAL 232 -7.976 -2.994 -5.629 1.00 1.00 ATOM 103 CA GLY 233 -7.527 -4.918 -8.853 1.00 1.00 ATOM 104 CA THR 234 -10.148 -3.053 -10.864 1.00 1.00 ATOM 105 CA ARG 235 -9.393 -1.414 -14.214 1.00 1.00 ATOM 106 CA SER 236 -10.089 2.216 -13.449 1.00 1.00 ATOM 107 CA ASN 237 -7.742 4.763 -14.970 1.00 1.00 ATOM 108 CA ASP 238 -9.045 8.299 -15.733 1.00 1.00 ATOM 109 CA PRO 239 -12.145 6.862 -17.332 1.00 1.00 ATOM 110 CA VAL 240 -13.545 6.063 -13.874 1.00 1.00 ATOM 111 CA ALA 241 -11.977 8.745 -11.709 1.00 1.00 ATOM 112 CA PHE 242 -15.283 10.531 -11.169 1.00 1.00 ATOM 113 CA ALA 243 -16.852 8.265 -8.505 1.00 1.00 ATOM 114 CA LEU 244 -13.470 7.821 -6.836 1.00 1.00 ATOM 115 CA ALA 245 -12.660 11.521 -6.516 1.00 1.00 ATOM 116 CA GLU 246 -16.165 12.118 -5.223 1.00 1.00 ATOM 117 CA MET 247 -15.996 9.408 -2.537 1.00 1.00 ATOM 118 CA LEU 248 -12.433 9.835 -1.251 1.00 1.00 ATOM 119 CA LYS 249 -13.023 13.501 -0.539 1.00 1.00 ATOM 120 CA VAL 250 -16.224 13.217 1.468 1.00 1.00 ATOM 121 CA ASN 251 -15.978 9.961 3.410 1.00 1.00 ATOM 122 CA ASN 252 -14.694 11.246 6.756 1.00 1.00 ATOM 123 CA THR 253 -14.936 7.840 8.555 1.00 1.00 ATOM 124 CA LEU 254 -12.151 6.369 6.358 1.00 1.00 ATOM 125 CA LYS 255 -9.032 5.024 8.124 1.00 1.00 ATOM 126 CA SER 256 -7.554 2.332 5.842 1.00 1.00 ATOM 127 CA LEU 257 -7.499 2.815 2.080 1.00 1.00 ATOM 128 CA ASN 258 -6.599 0.087 -0.419 1.00 1.00 ATOM 129 CA VAL 259 -6.348 1.465 -3.964 1.00 1.00 ATOM 130 CA GLU 260 -3.836 -1.022 -5.302 1.00 1.00 ATOM 131 CA SER 261 -3.321 -2.051 -8.909 1.00 1.00 ATOM 132 CA ASN 262 -5.972 0.209 -10.443 1.00 1.00 ATOM 133 CA PHE 263 -4.191 1.733 -13.420 1.00 1.00 ATOM 134 CA ILE 264 -4.789 5.264 -12.192 1.00 1.00 ATOM 135 CA SER 265 -1.973 6.977 -14.080 1.00 1.00 ATOM 136 CA GLY 266 -0.243 10.303 -13.260 1.00 1.00 ATOM 137 CA SER 267 -3.261 12.386 -14.256 1.00 1.00 ATOM 204 CA GLY 268 11.414 9.820 -4.822 1.00 1.00 ATOM 205 CA ILE 269 13.510 12.762 -3.658 1.00 1.00 ATOM 206 CA LEU 270 10.469 15.046 -3.483 1.00 1.00 ATOM 207 CA ALA 271 8.090 12.450 -2.059 1.00 1.00 ATOM 208 CA LEU 272 10.524 11.746 0.798 1.00 1.00 ATOM 209 CA VAL 273 11.723 15.226 1.810 1.00 1.00 ATOM 210 CA GLU 274 8.429 17.001 1.086 1.00 1.00 ATOM 211 CA ALA 275 6.012 14.194 1.932 1.00 1.00 ATOM 212 CA LEU 276 6.657 11.131 4.082 1.00 1.00 ATOM 213 CA GLN 277 9.194 13.140 6.083 1.00 1.00 ATOM 214 CA SER 278 6.277 14.850 7.893 1.00 1.00 ATOM 215 CA ASN 279 4.655 11.570 8.989 1.00 1.00 ATOM 216 CA THR 280 6.437 11.172 12.342 1.00 1.00 ATOM 217 CA SER 281 4.256 8.174 13.332 1.00 1.00 ATOM 218 CA LEU 282 5.058 6.032 10.301 1.00 1.00 ATOM 219 CA ILE 283 5.414 2.301 11.036 1.00 1.00 ATOM 220 CA GLU 284 5.492 0.562 7.646 1.00 1.00 ATOM 221 CA LEU 285 6.987 1.974 4.450 1.00 1.00 ATOM 222 CA ARG 286 7.350 0.098 1.160 1.00 1.00 ATOM 223 CA ILE 287 8.634 1.798 -2.033 1.00 1.00 ATOM 224 CA ASP 288 9.692 -1.413 -3.790 1.00 1.00 ATOM 225 CA ASN 289 10.506 -1.324 -7.500 1.00 1.00 ATOM 226 CA GLN 290 10.801 2.389 -8.184 1.00 1.00 ATOM 227 CA SER 291 14.119 4.047 -9.053 1.00 1.00 ATOM 228 CA GLN 292 16.172 5.765 -6.375 1.00 1.00 ATOM 229 CA GLY 295 19.812 5.920 -7.581 1.00 1.00 ATOM 230 CA ASN 296 22.007 8.349 -5.660 1.00 1.00 ATOM 231 CA ASN 297 19.429 11.130 -5.678 1.00 1.00 ATOM 232 CA VAL 298 16.624 9.167 -4.020 1.00 1.00 ATOM 233 CA GLU 299 19.125 7.429 -1.768 1.00 1.00 ATOM 234 CA MET 300 20.399 10.658 -0.266 1.00 1.00 ATOM 235 CA GLU 301 16.805 11.722 0.277 1.00 1.00 ATOM 236 CA ILE 302 16.144 8.455 2.109 1.00 1.00 ATOM 237 CA ALA 303 19.273 8.915 4.174 1.00 1.00 ATOM 238 CA ASN 304 18.155 12.367 5.313 1.00 1.00 ATOM 239 CA MET 305 14.619 11.270 6.034 1.00 1.00 ATOM 240 CA LEU 306 15.170 8.186 8.235 1.00 1.00 ATOM 241 CA GLU 307 15.667 10.252 11.379 1.00 1.00 ATOM 242 CA LYS 308 12.036 11.354 11.042 1.00 1.00 ATOM 243 CA ASN 309 10.491 7.926 11.621 1.00 1.00 ATOM 244 CA THR 310 11.351 7.048 15.294 1.00 1.00 ATOM 245 CA THR 311 8.899 4.112 15.245 1.00 1.00 ATOM 246 CA LEU 312 9.728 2.657 11.839 1.00 1.00 ATOM 247 CA LEU 313 9.321 -1.164 11.899 1.00 1.00 ATOM 248 CA LYS 314 9.355 -2.235 8.248 1.00 1.00 ATOM 249 CA PHE 315 11.413 -0.706 5.452 1.00 1.00 ATOM 250 CA GLY 316 10.910 -2.264 2.018 1.00 1.00 ATOM 251 CA TYR 317 13.376 -1.179 -0.649 1.00 1.00 ATOM 252 CA HIS 318 13.590 -4.231 -2.913 1.00 1.00 ATOM 253 CA PHE 319 14.233 -3.602 -6.631 1.00 1.00 ATOM 254 CA THR 320 15.067 0.078 -6.088 1.00 1.00 ATOM 255 CA GLN 321 18.496 0.234 -7.733 1.00 1.00 ATOM 256 CA GLN 322 19.752 2.118 -4.680 1.00 1.00 ATOM 257 CA GLY 323 23.165 1.957 -6.357 1.00 1.00 ATOM 258 CA PRO 324 26.383 1.101 -4.494 1.00 1.00 ATOM 259 CA ARG 325 27.127 4.629 -3.290 1.00 1.00 ATOM 260 CA LEU 326 23.492 5.174 -2.346 1.00 1.00 ATOM 261 CA ARG 327 23.255 2.003 -0.283 1.00 1.00 ATOM 262 CA ALA 328 26.417 2.980 1.569 1.00 1.00 ATOM 263 CA SER 329 24.819 6.326 2.417 1.00 1.00 ATOM 264 CA ASN 330 21.661 4.671 3.766 1.00 1.00 ATOM 265 CA ALA 331 23.601 2.136 5.825 1.00 1.00 ATOM 266 CA MET 332 25.556 5.093 7.155 1.00 1.00 ATOM 267 CA MET 333 22.300 6.775 8.130 1.00 1.00 ATOM 268 CA ASN 334 21.021 3.785 10.125 1.00 1.00 ATOM 269 CA ASN 335 24.370 3.878 11.880 1.00 1.00 ATOM 270 CA ASN 336 23.590 7.301 13.390 1.00 1.00 TER END ################################ # # # END # # # ################################