From mailer@bialko.llnl.gov Mon Aug 19 22:13:07 2002 Date: Mon, 19 Aug 2002 22:13:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 21:44:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_578682_28465 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194SS389_1 Current information on models submitted in prediction T0194SS389 MODEL_INDEX PIN CODE DATE E-mail T0194SS389_1 PIN_578682_28465 1549-8716-6404 08/19/02 21:44:48 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194SS389_1 PIN_578682_28465 1549-8716-6404 08/19/02 21:44:48 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 T0194 AUTHOR 1549-8716-6404 # 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: 237 # Number of residues with nonzero confidence: 237 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0194 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0194.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0194.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0194.t2k.str.rdb (weight 1.53983) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from T0194.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0194 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0194.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 43 METHOD METHOD ============================================ METHOD Comments from T0194.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0194 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0194.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 43 METHOD METHOD ============================================ METHOD Comments from T0194.t2k.str.rdb METHOD ============================================ METHOD TARGET T0194 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0194.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 43 METHOD METHOD ============================================ MODEL 1 M C 0.62 A H 0.51 N H 0.56 A H 0.55 P H 0.58 K C 0.54 G C 0.85 V C 0.87 K C 0.85 F C 0.87 S C 0.82 T C 0.79 S C 0.85 Q C 0.90 T C 0.91 T C 0.91 E H 0.88 E H 0.94 I H 0.96 V H 0.97 R H 0.97 A H 0.97 K H 0.97 V H 0.97 S H 0.97 E H 0.95 L H 0.92 V H 0.85 E H 0.54 Q C 0.80 Y C 0.94 D C 0.91 L E 0.87 I E 0.98 I E 0.98 G E 0.98 I E 0.96 P E 0.84 I E 0.52 D C 0.69 K C 0.63 E C 0.64 I C 0.53 S C 0.48 A H 0.73 S H 0.90 Y H 0.95 A H 0.96 N H 0.96 W H 0.97 K H 0.97 L H 0.96 V H 0.95 E H 0.93 K H 0.86 D H 0.71 Y C 0.57 A C 0.84 S C 0.89 K C 0.70 F E 0.82 H E 0.96 V E 0.95 L E 0.87 D E 0.51 A C 0.73 R C 0.64 A H 0.56 V H 0.65 E H 0.66 M H 0.79 I H 0.87 I H 0.93 D H 0.95 W H 0.96 L H 0.97 I H 0.98 N H 0.98 D H 0.98 I H 0.98 K H 0.98 G H 0.97 W H 0.97 L H 0.96 N H 0.90 T C 0.62 N C 0.95 P C 0.93 Y C 0.89 S C 0.91 R H 0.92 E H 0.96 G H 0.97 L H 0.97 D H 0.98 R H 0.97 F H 0.97 V H 0.97 E H 0.97 Q H 0.93 Y H 0.90 R H 0.79 K H 0.54 K C 0.75 T C 0.77 A E 0.49 A E 0.93 V E 0.97 L E 0.97 F E 0.94 V E 0.76 T C 0.60 D C 0.70 T H 0.55 K H 0.72 P H 0.73 L H 0.72 V H 0.62 A C 0.51 G C 0.75 G C 0.74 R C 0.65 L C 0.59 S C 0.56 N H 0.71 L H 0.85 K H 0.91 S H 0.86 F H 0.87 I H 0.90 I H 0.90 K H 0.85 S H 0.81 L H 0.51 K C 0.64 F C 0.57 H H 0.41 L H 0.52 L H 0.49 I H 0.51 S H 0.47 F E 0.38 L E 0.47 G C 0.87 E C 0.91 N C 0.95 G C 0.90 K C 0.62 L E 0.82 Q E 0.72 F E 0.53 F H 0.44 D H 0.48 K H 0.58 A H 0.48 R H 0.49 S C 0.57 A H 0.71 H H 0.92 D H 0.95 A H 0.96 H H 0.97 K H 0.98 L H 0.97 A H 0.98 V H 0.98 K H 0.97 F H 0.97 L H 0.97 K H 0.95 K H 0.91 Q H 0.82 L H 0.68 L H 0.53 K C 0.54 H C 0.68 S C 0.77 A C 0.79 K C 0.85 L C 0.76 K C 0.51 R E 0.62 G E 0.84 A E 0.94 F E 0.96 L E 0.96 T E 0.94 T E 0.82 V C 0.53 F C 0.82 D C 0.87 E C 0.50 Q H 0.77 T H 0.83 N H 0.90 T H 0.94 N H 0.94 L H 0.95 V H 0.96 Q H 0.97 E H 0.96 F H 0.95 D H 0.93 K H 0.82 L H 0.63 L C 0.63 D C 0.79 H C 0.79 S C 0.72 I C 0.57 N E 0.47 I E 0.59 E E 0.68 Q E 0.74 S E 0.71 L E 0.63 L C 0.52 S C 0.66 P C 0.48 V E 0.58 I E 0.64 C E 0.75 T E 0.71 H E 0.64 T E 0.44 G C 0.82 L C 0.92 N C 0.94 S C 0.51 Y E 0.88 V E 0.97 I E 0.97 V E 0.97 L E 0.91 Q E 0.77 G C 0.67 E C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 19:00:18 2002 Date: Fri, 23 Aug 2002 19:00:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 18:32:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_461510_33132 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS189_1 Current information on models submitted in prediction T0194TS189 MODEL_INDEX PIN CODE DATE E-mail T0194TS189_1 PIN_461510_33132 5035-2079-5263 08/23/02 18:32:09 casp5@bialko.llnl.gov T0194TS189_3 PIN_455324_33130 5035-2079-5263 08/23/02 18:31:19 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS189_1 PIN_461510_33132 5035-2079-5263 08/23/02 18:32:09 casp5@bialko.llnl.gov T0194TS189_3 PIN_455324_33130 5035-2079-5263 08/23/02 18:31:19 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 T0194 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1BDG # Loading PARENT structure: 1bdg (chain: ) # Number of residues in PARENT structure: 439 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 47 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue N 49 # IMPORTANT NOTE! Not complete main chain atoms for residue W 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue D 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue K 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue W 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue N 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue N 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue F 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 103 # Total number of atoms in model: 103 # Number of atoms with 1.0 occupancy: 103 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 103 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1BDG ATOM 351 CA TYR 47 48.163 46.941 73.672 1.00 1.00 ATOM 352 CA ALA 48 45.611 44.761 71.893 1.00 1.00 ATOM 353 CA ASN 49 43.565 44.442 75.091 1.00 1.00 ATOM 354 CA TRP 50 43.716 48.183 75.659 1.00 1.00 ATOM 355 CA LYS 51 42.649 49.050 72.129 1.00 1.00 ATOM 356 CA LEU 52 39.763 46.592 72.500 1.00 1.00 ATOM 357 CA VAL 53 38.260 48.129 75.600 1.00 1.00 ATOM 358 CA GLU 54 38.445 51.679 74.185 1.00 1.00 ATOM 359 CA LYS 55 37.976 51.128 70.462 1.00 1.00 ATOM 360 CA ASP 56 35.817 48.052 69.938 1.00 1.00 ATOM 361 CA TYR 57 33.836 48.305 73.207 1.00 1.00 ATOM 0 CA ALA 58 34.193 52.094 73.546 1.00 1.00 ATOM 0 CA SER 59 34.908 55.485 78.485 1.00 1.00 ATOM 362 CA LYS 60 37.735 55.567 81.083 1.00 1.00 ATOM 363 CA PHE 61 40.202 52.646 81.087 1.00 1.00 ATOM 364 CA HIS 62 43.108 51.671 83.379 1.00 1.00 ATOM 365 CA VAL 63 46.107 49.294 83.278 1.00 1.00 ATOM 366 CA LEU 64 44.453 47.038 85.869 1.00 1.00 ATOM 367 CA ASP 65 41.371 46.788 83.667 1.00 1.00 ATOM 368 CA ALA 66 43.462 45.781 80.675 1.00 1.00 ATOM 369 CA ARG 67 45.452 43.281 82.738 1.00 1.00 ATOM 370 CA ALA 68 42.298 41.863 84.402 1.00 1.00 ATOM 371 CA VAL 69 40.576 41.595 80.990 1.00 1.00 ATOM 372 CA GLU 70 43.436 39.788 79.174 1.00 1.00 ATOM 373 CA MET 71 43.485 37.241 81.997 1.00 1.00 ATOM 374 CA ILE 72 39.739 36.713 81.636 1.00 1.00 ATOM 375 CA ILE 73 40.271 36.024 77.878 1.00 1.00 ATOM 376 CA ASP 74 43.255 33.681 78.400 1.00 1.00 ATOM 377 CA TRP 75 41.301 31.682 81.001 1.00 1.00 ATOM 378 CA LEU 76 38.286 31.247 78.773 1.00 1.00 ATOM 379 CA ILE 77 40.251 30.531 75.600 1.00 1.00 ATOM 380 CA ASN 78 42.686 28.146 77.328 1.00 1.00 ATOM 381 CA ASP 79 39.946 25.876 78.684 1.00 1.00 ATOM 382 CA ILE 80 38.132 26.047 75.347 1.00 1.00 ATOM 383 CA LYS 81 41.031 24.521 73.408 1.00 1.00 ATOM 384 CA GLY 82 41.741 21.937 76.093 1.00 1.00 ATOM 385 CA TRP 83 38.095 20.876 76.052 1.00 1.00 ATOM 386 CA LEU 84 38.133 20.179 72.271 1.00 1.00 ATOM 387 CA ASN 85 41.466 18.479 72.874 1.00 1.00 ATOM 388 CA THR 86 39.951 16.122 75.416 1.00 1.00 ATOM 389 CA ASN 87 37.245 15.360 72.884 1.00 1.00 ATOM 390 CA PRO 88 39.677 14.312 70.159 1.00 1.00 ATOM 391 CA ARG 96 41.527 12.174 72.691 1.00 1.00 ATOM 392 CA PHE 97 38.177 10.541 73.288 1.00 1.00 ATOM 393 CA VAL 98 37.585 9.950 69.572 1.00 1.00 ATOM 394 CA GLU 99 41.073 8.487 69.173 1.00 1.00 ATOM 395 CA GLN 100 40.217 6.190 72.088 1.00 1.00 ATOM 396 CA TYR 101 37.145 5.037 70.180 1.00 1.00 ATOM 397 CA ARG 102 38.382 4.875 66.584 1.00 1.00 ATOM 404 CA LYS 103 41.398 3.016 68.049 1.00 1.00 ATOM 405 CA LYS 104 43.272 3.084 64.701 1.00 1.00 ATOM 406 CA THR 105 47.023 3.412 65.219 1.00 1.00 ATOM 407 CA ALA 106 47.303 6.202 62.601 1.00 1.00 ATOM 408 CA ALA 107 44.598 8.858 62.650 1.00 1.00 ATOM 409 CA VAL 108 44.566 11.970 60.430 1.00 1.00 ATOM 410 CA LEU 109 42.065 14.518 61.819 1.00 1.00 ATOM 411 CA PHE 110 40.431 17.012 59.450 1.00 1.00 ATOM 412 CA VAL 111 39.814 20.405 61.114 1.00 1.00 ATOM 413 CA THR 112 37.908 23.582 60.267 1.00 1.00 ATOM 414 CA ASP 113 36.489 26.547 62.128 1.00 1.00 ATOM 415 CA THR 114 37.440 30.113 63.058 1.00 1.00 ATOM 416 CA LYS 115 38.812 28.974 66.364 1.00 1.00 ATOM 417 CA PRO 116 41.369 26.701 64.784 1.00 1.00 ATOM 418 CA LYS 135 42.091 29.238 62.026 1.00 1.00 ATOM 419 CA PHE 136 42.094 32.732 63.516 1.00 1.00 ATOM 420 CA ALA 158 43.210 32.022 67.077 1.00 1.00 ATOM 421 CA HIS 159 46.841 32.279 68.325 1.00 1.00 ATOM 422 CA ASP 160 47.616 29.184 70.403 1.00 1.00 ATOM 423 CA ALA 161 44.247 27.387 69.948 1.00 1.00 ATOM 424 CA HIS 162 45.486 24.401 67.928 1.00 1.00 ATOM 425 CA LYS 163 48.782 24.845 69.744 1.00 1.00 ATOM 426 CA LEU 164 47.070 24.023 73.060 1.00 1.00 ATOM 427 CA ALA 165 44.291 21.651 71.920 1.00 1.00 ATOM 428 CA VAL 166 46.976 19.293 70.537 1.00 1.00 ATOM 429 CA LYS 167 48.821 19.341 73.856 1.00 1.00 ATOM 430 CA PHE 168 45.670 18.088 75.569 1.00 1.00 ATOM 431 CA LEU 169 45.004 15.342 72.965 1.00 1.00 ATOM 432 CA LYS 170 48.620 14.449 73.614 1.00 1.00 ATOM 433 CA LYS 171 48.282 13.756 77.347 1.00 1.00 ATOM 434 CA GLN 172 45.089 11.729 76.773 1.00 1.00 ATOM 435 CA LEU 173 45.503 9.976 73.416 1.00 1.00 ATOM 436 CA LEU 174 46.269 6.236 73.215 1.00 1.00 ATOM 437 CA LYS 175 50.052 6.066 73.749 1.00 1.00 ATOM 438 CA LEU 180 50.414 4.056 70.531 1.00 1.00 ATOM 439 CA LYS 181 48.211 6.247 68.348 1.00 1.00 ATOM 440 CA ARG 182 49.949 8.647 66.032 1.00 1.00 ATOM 441 CA GLY 183 47.681 11.472 64.890 1.00 1.00 ATOM 442 CA ALA 184 47.923 14.829 63.159 1.00 1.00 ATOM 443 CA PHE 185 45.574 17.766 62.607 1.00 1.00 ATOM 0 CA LEU 186 45.249 18.506 58.879 1.00 1.00 ATOM 444 CA THR 187 43.263 21.706 58.174 1.00 1.00 ATOM 445 CA THR 188 40.488 21.212 55.615 1.00 1.00 ATOM 446 CA VAL 189 41.537 24.008 53.240 1.00 1.00 ATOM 447 CA PHE 190 38.793 23.816 50.566 1.00 1.00 ATOM 448 CA ASP 191 35.932 23.492 53.058 1.00 1.00 ATOM 449 CA GLU 192 33.030 21.048 53.079 1.00 1.00 ATOM 450 CA GLN 193 32.100 21.930 49.488 1.00 1.00 ATOM 451 CA THR 194 34.652 19.718 47.655 1.00 1.00 ATOM 452 CA ASN 195 33.893 17.044 50.268 1.00 1.00 ATOM 453 CA THR 196 30.113 17.226 50.027 1.00 1.00 ATOM 454 CA ASN 197 30.223 17.120 46.189 1.00 1.00 ATOM 455 CA LEU 198 32.162 13.843 46.008 1.00 1.00 ATOM 456 CA VAL 199 29.545 12.462 48.414 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 19:01:08 2002 Date: Fri, 23 Aug 2002 19:01:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 18:32:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_468531_33134 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS189_2 Current information on models submitted in prediction T0194TS189 MODEL_INDEX PIN CODE DATE E-mail T0194TS189_2 PIN_468531_33134 5035-2079-5263 08/23/02 18:32:45 casp5@bialko.llnl.gov T0194TS189_1 PIN_461510_33132 5035-2079-5263 08/23/02 18:32:09 casp5@bialko.llnl.gov T0194TS189_3 PIN_455324_33130 5035-2079-5263 08/23/02 18:31:19 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS189_1 PIN_461510_33132 5035-2079-5263 08/23/02 18:32:09 casp5@bialko.llnl.gov T0194TS189_2 PIN_468531_33134 5035-2079-5263 08/23/02 18:32:45 casp5@bialko.llnl.gov T0194TS189_3 PIN_455324_33130 5035-2079-5263 08/23/02 18:31:19 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 T0194 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1EE2_A # Loading PARENT structure: 1ee2 (chain: A) # Number of residues in PARENT structure: 373 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 20 # IMPORTANT NOTE! Not complete main chain atoms for residue R 21 # IMPORTANT NOTE! Not complete main chain atoms for residue A 22 # IMPORTANT NOTE! Not complete main chain atoms for residue K 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue L 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue D 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue K 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue N 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue N 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue F 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue L 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue L 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 154 # IMPORTANT NOTE! Not complete main chain atoms for residue A 155 # IMPORTANT NOTE! Not complete main chain atoms for residue R 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue H 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # IMPORTANT NOTE! Not complete main chain atoms for residue H 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue N 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 154 # Total number of atoms in model: 154 # Number of atoms with 1.0 occupancy: 154 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 154 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1EE2_A ATOM 202 CA ILE 19 -2.766 1.946 41.290 1.00 1.00 ATOM 203 CA VAL 20 -5.066 1.410 38.275 1.00 1.00 ATOM 204 CA ARG 21 -7.592 3.857 39.653 1.00 1.00 ATOM 205 CA ALA 22 -4.711 6.376 40.003 1.00 1.00 ATOM 206 CA LYS 23 -3.787 5.768 36.310 1.00 1.00 ATOM 207 CA VAL 24 -7.460 6.578 35.462 1.00 1.00 ATOM 208 CA SER 25 -7.225 9.788 37.502 1.00 1.00 ATOM 209 CA GLU 26 -4.056 10.768 35.529 1.00 1.00 ATOM 210 CA LEU 27 -5.628 9.901 32.122 1.00 1.00 ATOM 211 CA VAL 28 -8.684 12.043 33.025 1.00 1.00 ATOM 213 CA GLU 29 -4.516 14.697 30.928 1.00 1.00 ATOM 214 CA GLN 30 -7.779 15.170 29.013 1.00 1.00 ATOM 215 CA TYR 31 -8.289 11.717 27.590 1.00 1.00 ATOM 216 CA ASP 32 -11.613 11.444 25.786 1.00 1.00 ATOM 217 CA LEU 33 -12.103 7.736 26.467 1.00 1.00 ATOM 218 CA ILE 34 -10.773 5.578 29.391 1.00 1.00 ATOM 219 CA ILE 35 -11.609 1.876 29.218 1.00 1.00 ATOM 220 CA GLY 36 -11.136 0.083 32.562 1.00 1.00 ATOM 221 CA ILE 37 -10.446 -3.709 32.350 1.00 1.00 ATOM 222 CA PRO 38 -10.807 -6.067 35.324 1.00 1.00 ATOM 223 CA ILE 39 -12.031 -9.623 35.993 1.00 1.00 ATOM 224 CA ASP 40 -13.667 -8.373 39.248 1.00 1.00 ATOM 225 CA LYS 41 -16.821 -6.578 38.154 1.00 1.00 ATOM 226 CA GLU 42 -17.233 -5.041 41.589 1.00 1.00 ATOM 228 CA LYS 51 -16.187 -0.981 37.893 1.00 1.00 ATOM 229 CA LEU 52 -18.329 1.461 39.757 1.00 1.00 ATOM 230 CA VAL 53 -15.408 3.215 41.446 1.00 1.00 ATOM 231 CA GLU 54 -13.462 3.174 38.180 1.00 1.00 ATOM 232 CA LYS 55 -16.287 5.118 36.485 1.00 1.00 ATOM 233 CA ASP 56 -16.478 7.516 39.442 1.00 1.00 ATOM 234 CA TYR 57 -12.847 8.518 38.905 1.00 1.00 ATOM 235 CA ALA 58 -12.921 8.735 35.122 1.00 1.00 ATOM 236 CA SER 59 -13.529 5.496 33.281 1.00 1.00 ATOM 237 CA LYS 60 -15.955 5.974 30.387 1.00 1.00 ATOM 238 CA PHE 61 -16.579 2.225 30.079 1.00 1.00 ATOM 239 CA HIS 62 -15.483 -0.968 31.810 1.00 1.00 ATOM 240 CA VAL 63 -15.020 -4.429 30.351 1.00 1.00 ATOM 241 CA LEU 64 -14.510 -7.785 32.033 1.00 1.00 ATOM 242 CA ASP 65 -12.475 -10.194 29.824 1.00 1.00 ATOM 243 CA ARG 67 -14.464 -13.192 31.134 1.00 1.00 ATOM 244 CA ALA 68 -17.648 -11.842 29.491 1.00 1.00 ATOM 245 CA VAL 69 -16.289 -12.166 25.954 1.00 1.00 ATOM 246 CA GLU 70 -15.645 -15.047 23.585 1.00 1.00 ATOM 247 CA MET 71 -12.616 -13.265 22.011 1.00 1.00 ATOM 248 CA ILE 72 -9.271 -12.332 23.639 1.00 1.00 ATOM 249 CA ILE 77 -9.412 -8.916 25.285 1.00 1.00 ATOM 250 CA ASN 78 -6.895 -7.278 22.973 1.00 1.00 ATOM 251 CA ASP 79 -9.196 -8.080 20.063 1.00 1.00 ATOM 252 CA ILE 80 -12.160 -6.601 21.920 1.00 1.00 ATOM 253 CA LYS 81 -10.245 -3.372 22.792 1.00 1.00 ATOM 254 CA GLY 82 -8.910 -3.032 19.245 1.00 1.00 ATOM 255 CA TRP 83 -12.478 -3.260 17.868 1.00 1.00 ATOM 256 CA LEU 84 -13.811 -0.849 20.483 1.00 1.00 ATOM 257 CA ASN 85 -11.184 1.756 19.647 1.00 1.00 ATOM 258 CA THR 86 -11.623 1.336 15.907 1.00 1.00 ATOM 259 CA ASN 87 -8.125 0.045 15.420 1.00 1.00 ATOM 269 CA TYR 89 1.219 -7.997 37.298 1.00 1.00 ATOM 270 CA SER 90 0.468 -10.797 34.778 1.00 1.00 ATOM 271 CA ARG 91 2.441 -11.790 31.730 1.00 1.00 ATOM 272 CA GLU 92 -0.593 -12.385 29.525 1.00 1.00 ATOM 273 CA GLY 93 -2.128 -8.974 30.321 1.00 1.00 ATOM 274 CA LEU 94 1.254 -7.278 29.668 1.00 1.00 ATOM 275 CA ASP 95 1.178 -8.783 26.140 1.00 1.00 ATOM 276 CA ARG 96 -2.527 -8.028 25.707 1.00 1.00 ATOM 277 CA PHE 97 -2.081 -4.386 26.792 1.00 1.00 ATOM 278 CA VAL 98 0.707 -4.016 24.260 1.00 1.00 ATOM 279 CA GLU 99 -1.335 -5.616 21.505 1.00 1.00 ATOM 280 CA GLN 100 -4.401 -3.469 22.094 1.00 1.00 ATOM 281 CA TYR 101 -2.572 -0.234 21.457 1.00 1.00 ATOM 282 CA ARG 102 -2.530 1.086 17.819 1.00 1.00 ATOM 283 CA LYS 103 0.140 -0.801 15.864 1.00 1.00 ATOM 284 CA LYS 104 1.880 2.254 14.432 1.00 1.00 ATOM 285 CA THR 105 1.709 4.905 17.169 1.00 1.00 ATOM 286 CA ALA 106 0.320 3.223 20.317 1.00 1.00 ATOM 287 CA ALA 107 2.145 3.382 23.639 1.00 1.00 ATOM 288 CA VAL 108 1.827 0.676 26.342 1.00 1.00 ATOM 289 CA LEU 109 3.223 1.103 29.886 1.00 1.00 ATOM 290 CA PHE 110 3.918 -1.782 32.239 1.00 1.00 ATOM 291 CA VAL 111 3.211 -0.777 35.880 1.00 1.00 ATOM 292 CA THR 112 2.441 -4.214 37.383 1.00 1.00 ATOM 297 CA ILE 131 11.306 -16.244 37.582 1.00 1.00 ATOM 298 CA LYS 132 9.010 -16.214 34.628 1.00 1.00 ATOM 299 CA SER 133 9.749 -14.941 31.163 1.00 1.00 ATOM 300 CA LEU 134 7.214 -13.270 28.910 1.00 1.00 ATOM 301 CA LYS 135 6.703 -14.646 25.395 1.00 1.00 ATOM 302 CA PHE 136 5.700 -12.188 22.625 1.00 1.00 ATOM 303 CA HIS 137 5.792 -11.667 18.855 1.00 1.00 ATOM 304 CA LEU 138 8.344 -8.951 18.090 1.00 1.00 ATOM 305 CA LEU 139 6.294 -7.948 15.057 1.00 1.00 ATOM 306 CA ILE 140 4.050 -6.171 17.635 1.00 1.00 ATOM 307 CA SER 141 6.958 -3.705 18.171 1.00 1.00 ATOM 308 CA PHE 142 8.261 -3.546 14.597 1.00 1.00 ATOM 309 CA LEU 143 5.105 -1.903 13.317 1.00 1.00 ATOM 310 CA GLY 144 5.760 1.188 15.494 1.00 1.00 ATOM 311 CA GLU 145 4.433 0.478 19.022 1.00 1.00 ATOM 312 CA ASN 146 6.313 1.843 22.035 1.00 1.00 ATOM 313 CA GLY 147 6.530 -0.410 25.116 1.00 1.00 ATOM 314 CA LYS 148 7.952 0.911 28.365 1.00 1.00 ATOM 315 CA LEU 149 7.800 0.327 32.107 1.00 1.00 ATOM 316 CA LYS 154 8.288 2.534 35.073 1.00 1.00 ATOM 317 CA ALA 155 8.639 2.626 38.799 1.00 1.00 ATOM 318 CA ARG 156 6.771 5.164 40.960 1.00 1.00 ATOM 319 CA SER 157 5.165 6.843 37.960 1.00 1.00 ATOM 320 CA ALA 158 8.554 8.043 36.655 1.00 1.00 ATOM 321 CA HIS 159 8.819 10.596 39.485 1.00 1.00 ATOM 322 CA ASP 160 12.193 11.565 40.953 1.00 1.00 ATOM 323 CA ALA 161 11.060 10.795 44.515 1.00 1.00 ATOM 324 CA HIS 162 12.482 13.394 46.831 1.00 1.00 ATOM 325 CA LYS 163 11.777 16.259 44.443 1.00 1.00 ATOM 326 CA LEU 164 8.277 15.027 43.652 1.00 1.00 ATOM 327 CA ALA 165 6.678 13.755 46.855 1.00 1.00 ATOM 328 CA VAL 166 6.606 17.173 48.571 1.00 1.00 ATOM 329 CA LYS 167 5.184 18.749 45.423 1.00 1.00 ATOM 330 CA PHE 168 2.480 16.068 45.168 1.00 1.00 ATOM 331 CA LEU 169 1.469 16.605 48.809 1.00 1.00 ATOM 332 CA LYS 170 1.332 20.362 48.213 1.00 1.00 ATOM 333 CA LYS 171 -0.850 19.717 45.125 1.00 1.00 ATOM 334 CA GLN 172 -3.155 17.559 47.245 1.00 1.00 ATOM 335 CA LEU 173 -3.353 20.393 49.881 1.00 1.00 ATOM 336 CA LEU 174 -4.292 22.732 46.972 1.00 1.00 ATOM 337 CA LYS 175 -7.057 20.294 45.960 1.00 1.00 ATOM 338 CA LYS 179 -5.441 19.468 42.592 1.00 1.00 ATOM 339 CA LEU 180 -6.378 15.736 42.985 1.00 1.00 ATOM 340 CA LYS 181 -8.335 13.558 45.371 1.00 1.00 ATOM 341 CA ARG 182 -7.270 10.583 47.419 1.00 1.00 ATOM 342 CA GLY 183 -10.535 9.601 49.250 1.00 1.00 ATOM 343 CA ALA 184 -11.736 7.590 46.202 1.00 1.00 ATOM 344 CA PHE 185 -8.867 5.143 46.759 1.00 1.00 ATOM 345 CA LEU 186 -9.529 4.602 50.491 1.00 1.00 ATOM 346 CA THR 187 -12.145 1.955 51.125 1.00 1.00 ATOM 347 CA THR 188 -11.186 0.770 54.599 1.00 1.00 ATOM 348 CA VAL 189 -9.425 2.086 57.705 1.00 1.00 ATOM 349 CA PHE 190 -8.091 -0.233 60.319 1.00 1.00 ATOM 350 CA ASP 191 -5.757 -0.041 63.306 1.00 1.00 ATOM 351 CA GLU 192 -2.234 -1.256 62.527 1.00 1.00 ATOM 352 CA GLN 193 -2.822 -4.275 64.782 1.00 1.00 ATOM 353 CA THR 194 -5.376 -5.509 62.230 1.00 1.00 ATOM 354 CA ASN 195 -2.778 -5.567 59.374 1.00 1.00 ATOM 355 CA THR 196 -3.609 -9.222 58.552 1.00 1.00 ATOM 356 CA ASN 197 -7.297 -8.380 58.181 1.00 1.00 ATOM 357 CA LEU 198 -6.242 -5.540 55.824 1.00 1.00 ATOM 358 CA VAL 199 -4.238 -8.018 53.690 1.00 1.00 ATOM 359 CA GLN 200 -7.190 -10.445 53.658 1.00 1.00 ATOM 360 CA GLU 201 -9.439 -7.595 52.418 1.00 1.00 ATOM 361 CA PHE 202 -7.019 -6.989 49.512 1.00 1.00 ATOM 362 CA ASP 203 -6.664 -10.684 48.667 1.00 1.00 ATOM 363 CA LYS 204 -10.406 -11.248 48.663 1.00 1.00 ATOM 364 CA LEU 205 -10.974 -8.413 46.197 1.00 1.00 ATOM 365 CA LEU 206 -13.012 -6.315 48.652 1.00 1.00 ATOM 366 CA ASP 207 -10.778 -3.325 49.069 1.00 1.00 ATOM 367 CA HIS 208 -8.815 -0.729 47.107 1.00 1.00 ATOM 368 CA ILE 210 -6.560 0.793 49.750 1.00 1.00 ATOM 369 CA ASN 211 -6.844 -0.066 53.441 1.00 1.00 ATOM 370 CA ILE 212 -5.058 2.590 55.531 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 18:59:18 2002 Date: Fri, 23 Aug 2002 18:59:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0194 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 18:31:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_455324_33130 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0194TS189_3 Current information on models submitted in prediction T0194TS189 MODEL_INDEX PIN CODE DATE E-mail T0194TS189_3 PIN_455324_33130 5035-2079-5263 08/23/02 18:31:19 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 T0194 MODEL_INDEX PIN CODE DATE E-mail T0194TS189_3 PIN_455324_33130 5035-2079-5263 08/23/02 18:31:19 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 T0194 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1QI6_A # Loading PARENT structure: 1qi6 (chain: A) # Number of residues in PARENT structure: 474 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue L 33 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue S 46 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue N 49 # IMPORTANT NOTE! Not complete main chain atoms for residue W 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue D 56 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue K 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue R 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue M 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue D 74 # IMPORTANT NOTE! Not complete main chain atoms for residue W 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue I 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue N 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue N 87 # IMPORTANT NOTE! Not complete main chain atoms for residue P 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue S 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue D 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue F 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue S 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue I 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 131 # IMPORTANT NOTE! Not complete main chain atoms for residue K 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue L 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue E 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue H 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue K 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue L 174 # IMPORTANT NOTE! Not complete main chain atoms for residue K 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue L 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue R 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue A 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue F 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue L 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue K 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue D 207 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0194 # Total number of residues in target: 237 # Total number of residues in model: 145 # Total number of atoms in model: 145 # Number of atoms with 1.0 occupancy: 145 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 145 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0194 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1QI6_A ATOM 146 CA LEU 33 -9.006 52.934 6.412 1.00 1.00 ATOM 147 CA ILE 34 -11.226 52.950 9.523 1.00 1.00 ATOM 148 CA ILE 35 -14.811 54.219 9.519 1.00 1.00 ATOM 149 CA GLY 36 -15.659 55.612 12.961 1.00 1.00 ATOM 150 CA ILE 37 -19.295 56.347 13.873 1.00 1.00 ATOM 151 CA ASP 40 -20.137 58.021 17.232 1.00 1.00 ATOM 152 CA LYS 41 -23.449 58.135 19.210 1.00 1.00 ATOM 153 CA GLU 42 -25.650 61.080 20.269 1.00 1.00 ATOM 158 CA SER 46 -15.960 61.360 23.589 1.00 1.00 ATOM 159 CA TYR 47 -17.080 58.181 21.825 1.00 1.00 ATOM 160 CA ALA 48 -15.505 59.519 18.626 1.00 1.00 ATOM 161 CA ASN 49 -12.064 60.175 20.072 1.00 1.00 ATOM 162 CA TRP 50 -11.971 56.714 21.656 1.00 1.00 ATOM 163 CA LYS 51 -12.068 55.332 18.091 1.00 1.00 ATOM 164 CA LEU 52 -10.058 58.002 16.211 1.00 1.00 ATOM 165 CA VAL 53 -6.941 58.297 18.408 1.00 1.00 ATOM 166 CA GLU 54 -6.409 54.477 18.744 1.00 1.00 ATOM 167 CA LYS 55 -6.808 54.129 14.964 1.00 1.00 ATOM 168 CA ASP 56 -4.496 57.025 13.996 1.00 1.00 ATOM 169 CA TYR 57 -1.536 56.198 16.247 1.00 1.00 ATOM 170 CA ALA 58 -1.239 52.728 14.646 1.00 1.00 ATOM 171 CA SER 59 -1.079 54.145 11.104 1.00 1.00 ATOM 172 CA LYS 60 -4.672 53.864 9.883 1.00 1.00 ATOM 173 CA PHE 61 -6.510 56.781 8.261 1.00 1.00 ATOM 174 CA HIS 62 -9.891 58.089 9.436 1.00 1.00 ATOM 175 CA VAL 63 -13.357 58.894 8.047 1.00 1.00 ATOM 176 CA LEU 64 -15.502 60.190 10.923 1.00 1.00 ATOM 177 CA ASP 65 -19.321 60.059 10.831 1.00 1.00 ATOM 178 CA ALA 66 -20.950 61.655 13.906 1.00 1.00 ATOM 179 CA ARG 67 -24.677 61.341 14.646 1.00 1.00 ATOM 180 CA ALA 68 -26.818 63.940 12.778 1.00 1.00 ATOM 181 CA VAL 69 -28.064 65.219 16.142 1.00 1.00 ATOM 182 CA GLU 70 -24.560 65.967 17.386 1.00 1.00 ATOM 183 CA MET 71 -22.886 66.619 14.019 1.00 1.00 ATOM 184 CA ILE 72 -22.133 70.260 14.910 1.00 1.00 ATOM 185 CA ILE 73 -20.129 69.111 17.961 1.00 1.00 ATOM 186 CA ASP 74 -18.484 66.477 15.786 1.00 1.00 ATOM 187 CA TRP 75 -17.439 69.241 13.386 1.00 1.00 ATOM 188 CA LEU 76 -16.132 71.284 16.325 1.00 1.00 ATOM 189 CA ILE 77 -13.907 68.300 17.202 1.00 1.00 ATOM 190 CA ASN 78 -12.707 68.261 13.570 1.00 1.00 ATOM 191 CA ASP 79 -11.426 71.855 13.908 1.00 1.00 ATOM 192 CA ILE 80 -8.851 70.755 16.505 1.00 1.00 ATOM 193 CA TRP 83 -7.554 68.133 14.056 1.00 1.00 ATOM 194 CA LEU 84 -7.398 70.798 11.332 1.00 1.00 ATOM 195 CA ASN 85 -5.546 73.259 13.559 1.00 1.00 ATOM 196 CA THR 86 -3.068 70.578 14.703 1.00 1.00 ATOM 197 CA ASN 87 -1.963 70.326 11.078 1.00 1.00 ATOM 198 CA PRO 88 -2.247 66.608 10.297 1.00 1.00 ATOM 199 CA TYR 89 -1.493 65.850 6.613 1.00 1.00 ATOM 209 CA SER 90 -28.986 61.586 5.770 1.00 1.00 ATOM 210 CA ARG 91 -29.263 57.901 6.643 1.00 1.00 ATOM 211 CA GLU 92 -31.474 57.025 3.674 1.00 1.00 ATOM 212 CA GLY 93 -28.906 58.511 1.320 1.00 1.00 ATOM 213 CA LEU 94 -25.496 57.427 2.682 1.00 1.00 ATOM 214 CA ASP 95 -26.315 55.031 5.550 1.00 1.00 ATOM 215 CA ARG 96 -25.584 51.666 3.921 1.00 1.00 ATOM 216 CA PHE 97 -23.269 53.295 1.371 1.00 1.00 ATOM 217 CA VAL 98 -20.609 54.371 3.868 1.00 1.00 ATOM 218 CA GLU 99 -20.436 50.852 5.371 1.00 1.00 ATOM 219 CA GLN 100 -20.628 48.747 2.191 1.00 1.00 ATOM 220 CA TYR 101 -17.874 50.733 0.453 1.00 1.00 ATOM 221 CA ARG 102 -14.864 48.595 -0.532 1.00 1.00 ATOM 222 CA LYS 103 -12.443 51.318 0.580 1.00 1.00 ATOM 223 CA LYS 104 -13.404 50.696 4.217 1.00 1.00 ATOM 224 CA THR 105 -11.234 48.129 6.039 1.00 1.00 ATOM 225 CA ALA 106 -12.768 48.343 9.544 1.00 1.00 ATOM 226 CA ALA 107 -16.059 49.667 10.964 1.00 1.00 ATOM 227 CA VAL 108 -16.047 50.965 14.556 1.00 1.00 ATOM 228 CA LEU 109 -19.570 51.842 15.751 1.00 1.00 ATOM 229 CA PHE 110 -21.601 52.775 18.837 1.00 1.00 ATOM 230 CA VAL 111 -25.394 52.929 18.593 1.00 1.00 ATOM 231 CA THR 112 -28.538 50.761 18.489 1.00 1.00 ATOM 232 CA SER 124 -28.616 46.939 18.412 1.00 1.00 ATOM 233 CA ASN 125 -30.728 46.818 15.242 1.00 1.00 ATOM 234 CA LEU 126 -28.297 48.975 13.272 1.00 1.00 ATOM 235 CA LYS 127 -25.373 47.108 14.807 1.00 1.00 ATOM 236 CA SER 128 -26.677 43.731 13.610 1.00 1.00 ATOM 237 CA PHE 129 -27.130 45.205 10.144 1.00 1.00 ATOM 238 CA ILE 130 -23.598 46.645 10.088 1.00 1.00 ATOM 239 CA ILE 131 -22.168 43.267 11.062 1.00 1.00 ATOM 240 CA LYS 132 -23.887 41.664 8.092 1.00 1.00 ATOM 241 CA SER 133 -22.895 44.473 5.707 1.00 1.00 ATOM 242 CA LEU 134 -19.286 44.145 6.906 1.00 1.00 ATOM 243 CA LYS 135 -19.055 40.702 5.303 1.00 1.00 ATOM 244 CA PHE 136 -15.810 39.165 6.548 1.00 1.00 ATOM 245 CA HIS 137 -14.190 42.539 7.349 1.00 1.00 ATOM 246 CA LEU 138 -13.269 43.292 11.003 1.00 1.00 ATOM 247 CA LEU 139 -15.662 45.299 13.198 1.00 1.00 ATOM 248 CA ILE 140 -16.152 46.827 16.653 1.00 1.00 ATOM 249 CA SER 141 -19.669 47.350 17.985 1.00 1.00 ATOM 250 CA PHE 142 -21.040 48.692 21.267 1.00 1.00 ATOM 251 CA LEU 143 -24.800 48.214 21.274 1.00 1.00 ATOM 252 CA GLY 144 -27.623 48.135 23.834 1.00 1.00 ATOM 261 CA GLU 145 -29.024 40.047 51.921 1.00 1.00 ATOM 262 CA ASN 146 -25.650 41.078 53.419 1.00 1.00 ATOM 263 CA GLY 147 -25.255 44.170 51.233 1.00 1.00 ATOM 264 CA LYS 148 -24.629 47.709 52.533 1.00 1.00 ATOM 265 CA ALA 161 -27.999 49.230 51.568 1.00 1.00 ATOM 266 CA HIS 162 -27.032 52.909 51.840 1.00 1.00 ATOM 267 CA LYS 163 -24.026 52.502 49.540 1.00 1.00 ATOM 268 CA LEU 164 -26.163 50.295 47.250 1.00 1.00 ATOM 269 CA ALA 165 -28.942 52.906 47.088 1.00 1.00 ATOM 270 CA VAL 166 -26.498 55.739 46.267 1.00 1.00 ATOM 271 CA LYS 167 -24.719 53.804 43.513 1.00 1.00 ATOM 272 CA PHE 168 -27.986 52.657 41.921 1.00 1.00 ATOM 273 CA LEU 169 -29.392 56.214 41.854 1.00 1.00 ATOM 274 CA LYS 170 -26.227 57.588 40.224 1.00 1.00 ATOM 275 CA LYS 171 -25.928 54.793 37.677 1.00 1.00 ATOM 276 CA GLN 172 -29.620 54.658 36.766 1.00 1.00 ATOM 277 CA LEU 173 -30.427 58.381 36.366 1.00 1.00 ATOM 278 CA LEU 174 -27.235 59.869 34.927 1.00 1.00 ATOM 279 CA LYS 175 -28.059 61.868 31.781 1.00 1.00 ATOM 281 CA HIS 176 -31.003 57.240 31.698 1.00 1.00 ATOM 282 CA SER 177 -29.657 57.780 28.182 1.00 1.00 ATOM 283 CA ALA 178 -26.581 55.517 28.624 1.00 1.00 ATOM 284 CA LYS 179 -25.729 51.949 27.488 1.00 1.00 ATOM 285 CA LEU 180 -23.751 51.249 30.679 1.00 1.00 ATOM 286 CA LYS 181 -26.351 52.124 33.287 1.00 1.00 ATOM 287 CA ARG 182 -28.150 50.187 36.007 1.00 1.00 ATOM 288 CA GLY 183 -31.400 49.324 34.218 1.00 1.00 ATOM 289 CA ALA 184 -32.936 46.697 36.579 1.00 1.00 ATOM 290 CA PHE 185 -32.590 45.775 40.259 1.00 1.00 ATOM 291 CA LEU 186 -32.679 42.086 41.267 1.00 1.00 ATOM 292 CA THR 187 -32.913 42.267 45.073 1.00 1.00 ATOM 293 CA THR 188 -33.412 39.480 47.644 1.00 1.00 ATOM 294 CA VAL 189 -36.895 39.801 49.153 1.00 1.00 ATOM 295 CA PHE 190 -35.757 40.141 52.791 1.00 1.00 ATOM 296 CA ASP 191 -33.988 43.472 52.135 1.00 1.00 ATOM 297 CA GLU 192 -36.168 44.801 49.302 1.00 1.00 ATOM 298 CA GLN 193 -38.546 47.074 51.243 1.00 1.00 ATOM 299 CA THR 194 -35.692 48.910 52.971 1.00 1.00 ATOM 300 CA ASN 195 -33.708 49.428 49.769 1.00 1.00 ATOM 301 CA THR 196 -36.731 50.672 47.815 1.00 1.00 ATOM 302 CA ASN 197 -37.441 53.414 50.395 1.00 1.00 ATOM 303 CA LEU 198 -33.857 54.759 50.257 1.00 1.00 ATOM 304 CA VAL 199 -34.011 54.805 46.442 1.00 1.00 ATOM 305 CA GLN 200 -37.469 56.414 46.546 1.00 1.00 ATOM 306 CA GLU 201 -36.269 59.332 48.654 1.00 1.00 ATOM 307 CA PHE 202 -33.107 59.900 46.627 1.00 1.00 ATOM 308 CA ASP 203 -35.127 60.112 43.392 1.00 1.00 ATOM 309 CA LYS 204 -37.083 63.008 44.927 1.00 1.00 ATOM 310 CA LEU 205 -33.847 64.956 45.482 1.00 1.00 ATOM 311 CA LEU 206 -32.835 64.884 41.805 1.00 1.00 ATOM 312 CA ASP 207 -33.013 68.211 39.982 1.00 1.00 TER END ################################ # # # END # # # ################################