From mailer@bialko.llnl.gov Fri Jul 12 10:43:39 2002 Date: Fri, 12 Jul 2002 10:43:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 12 10:16:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_280800_12084 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151SS007_1 Current information on models submitted in prediction T0151SS007 MODEL_INDEX PIN CODE DATE E-mail T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 MODEL_INDEX PIN CODE DATE E-mail T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 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: 164 # Number of residues with nonzero confidence: 164 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0151 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-23144.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-14436//target-align-14436.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 119.329 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-23144.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc72.21087/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Thu Jul 11 13:27:30 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-14436//target-align-14436.a2m METHOD METHOD guide seq name: seed-seqs-23144.a2m(1), 164 bases, EFA7B77C checksum. METHOD ###end 0 MODEL 1 M C 0.713 A C 0.605 G C 0.607 D C 0.567 T C 0.505 T E 0.483 I E 0.636 T E 0.672 I E 0.67 V E 0.63 G E 0.528 N E 0.476 L E 0.453 T C 0.554 A C 0.615 D C 0.719 P C 0.556 E C 0.45 L E 0.354 R E 0.435 F E 0.441 T C 0.52 P C 0.654 S C 0.694 G C 0.671 A C 0.517 A E 0.477 V E 0.578 A E 0.591 N E 0.6 F E 0.619 T E 0.623 V E 0.618 A E 0.554 S E 0.487 T C 0.429 P C 0.477 R C 0.468 I C 0.425 Y C 0.44 D C 0.543 R C 0.617 Q C 0.665 T C 0.686 G C 0.657 E C 0.566 W C 0.411 K C 0.381 D C 0.435 G C 0.518 E C 0.508 A C 0.42 L E 0.404 F E 0.509 L E 0.536 R E 0.539 C E 0.58 N E 0.571 I E 0.516 W E 0.366 R H 0.443 E H 0.587 A H 0.676 A H 0.722 E H 0.724 N H 0.715 V H 0.719 A H 0.717 E H 0.705 S H 0.68 L H 0.627 T H 0.541 R H 0.481 G C 0.692 A C 0.609 R E 0.519 V E 0.704 I E 0.705 V E 0.679 S E 0.604 G E 0.516 R E 0.521 L E 0.548 K E 0.492 Q E 0.449 R C 0.406 S E 0.427 F E 0.467 E E 0.409 T C 0.532 R C 0.617 E C 0.68 G C 0.708 E C 0.498 K E 0.477 R E 0.542 T E 0.575 V E 0.592 I E 0.6 E E 0.613 V E 0.63 E E 0.608 V E 0.549 D E 0.466 E E 0.429 I E 0.466 G E 0.467 P E 0.4 S C 0.427 L C 0.547 R C 0.575 Y C 0.567 A C 0.565 T C 0.55 A C 0.536 K C 0.518 V C 0.524 N C 0.575 K C 0.601 A C 0.634 S C 0.626 R C 0.607 S C 0.622 G C 0.621 G C 0.596 F C 0.606 G C 0.648 S C 0.669 G C 0.656 S C 0.639 R C 0.615 P C 0.626 A C 0.614 P C 0.596 A C 0.575 Q C 0.588 T C 0.62 S C 0.627 S C 0.634 A C 0.616 S C 0.646 G C 0.621 D C 0.626 D C 0.633 P C 0.621 W C 0.616 G C 0.607 S C 0.626 A C 0.635 P C 0.677 A C 0.682 S C 0.708 G C 0.682 S C 0.645 F C 0.588 G C 0.602 G C 0.602 G C 0.635 D C 0.666 D C 0.684 E C 0.7 P C 0.728 P C 0.77 F C 0.72 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 17:27:28 2002 Date: Thu, 18 Jul 2002 17:27:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:00:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_120542_12334 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS007_5 Current information on models submitted in prediction T0151TS007 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1KAW_C # Loading PARENT structure: 1kaw (chain: C) # Number of residues in PARENT structure: 96 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1KAW_C ATOM 3 CA ALA 2 14.169 53.028 -1.475 1.00 1.00 ATOM 4 CA GLY 3 15.993 56.348 -1.118 1.00 1.00 ATOM 5 CA ASP 4 19.537 56.731 0.192 1.00 1.00 ATOM 6 CA THR 5 20.679 57.157 3.817 1.00 1.00 ATOM 7 CA THR 6 24.369 57.941 4.010 1.00 1.00 ATOM 8 CA ILE 7 26.526 59.568 6.596 1.00 1.00 ATOM 9 CA THR 8 30.196 60.442 6.259 1.00 1.00 ATOM 10 CA ILE 9 32.191 61.597 9.203 1.00 1.00 ATOM 11 CA VAL 10 35.861 62.253 9.753 1.00 1.00 ATOM 12 CA GLY 11 36.881 62.943 13.312 1.00 1.00 ATOM 13 CA ASN 12 38.691 61.793 16.426 1.00 1.00 ATOM 14 CA LEU 13 37.466 59.486 19.160 1.00 1.00 ATOM 15 CA THR 14 36.526 60.912 22.572 1.00 1.00 ATOM 16 CA ALA 15 37.414 57.737 24.467 1.00 1.00 ATOM 17 CA ASP 16 38.820 54.273 23.620 1.00 1.00 ATOM 18 CA PRO 17 36.337 51.864 22.059 1.00 1.00 ATOM 19 CA GLU 18 33.634 50.101 24.015 1.00 1.00 ATOM 20 CA LEU 19 33.786 46.817 22.155 1.00 1.00 ATOM 21 CA ARG 20 31.566 44.070 23.516 1.00 1.00 ATOM 22 CA PHE 21 31.623 40.684 21.796 1.00 1.00 ATOM 23 CA THR 22 28.059 39.475 21.444 1.00 1.00 ATOM 28 CA ALA 27 30.953 41.592 18.236 1.00 1.00 ATOM 29 CA VAL 28 30.051 45.263 18.474 1.00 1.00 ATOM 30 CA ALA 29 32.133 48.300 19.260 1.00 1.00 ATOM 31 CA ASN 30 30.855 51.616 20.579 1.00 1.00 ATOM 32 CA PHE 31 32.721 54.790 19.824 1.00 1.00 ATOM 33 CA THR 32 31.990 58.485 20.283 1.00 1.00 ATOM 34 CA VAL 33 33.571 60.387 17.372 1.00 1.00 ATOM 35 CA ALA 34 33.888 64.185 17.734 1.00 1.00 ATOM 36 CA SER 35 33.626 66.452 14.711 1.00 1.00 ATOM 37 CA THR 36 34.260 70.165 15.146 1.00 1.00 ATOM 38 CA PRO 37 33.966 73.367 13.155 1.00 1.00 ATOM 39 CA ARG 38 35.621 76.707 13.873 1.00 1.00 ATOM 50 CA ASP 49 33.608 75.573 17.391 1.00 1.00 ATOM 51 CA GLU 51 30.283 74.047 18.264 1.00 1.00 ATOM 52 CA ALA 52 32.361 70.855 18.621 1.00 1.00 ATOM 53 CA LEU 53 29.869 68.019 18.239 1.00 1.00 ATOM 54 CA PHE 54 29.999 64.389 19.309 1.00 1.00 ATOM 55 CA LEU 55 28.827 61.319 17.536 1.00 1.00 ATOM 56 CA ARG 56 27.635 57.909 18.708 1.00 1.00 ATOM 57 CA CYS 57 29.077 55.451 16.236 1.00 1.00 ATOM 58 CA ASN 58 28.181 51.754 16.418 1.00 1.00 ATOM 59 CA ILE 59 30.644 49.490 14.549 1.00 1.00 ATOM 60 CA TRP 60 29.016 46.080 14.040 1.00 1.00 ATOM 61 CA ARG 61 30.616 42.987 12.516 1.00 1.00 ATOM 62 CA GLU 62 34.326 42.284 12.183 1.00 1.00 ATOM 63 CA ALA 63 35.000 46.010 11.806 1.00 1.00 ATOM 64 CA ALA 64 34.646 46.000 15.574 1.00 1.00 ATOM 65 CA GLU 65 37.434 43.585 16.262 1.00 1.00 ATOM 66 CA ASN 66 39.812 45.998 14.464 1.00 1.00 ATOM 67 CA VAL 67 38.567 48.989 16.432 1.00 1.00 ATOM 68 CA ALA 68 39.473 47.242 19.654 1.00 1.00 ATOM 69 CA GLU 69 42.641 45.831 18.127 1.00 1.00 ATOM 70 CA SER 70 44.178 49.128 17.162 1.00 1.00 ATOM 71 CA LEU 71 41.818 52.130 17.225 1.00 1.00 ATOM 72 CA THR 72 42.004 53.652 20.768 1.00 1.00 ATOM 73 CA ARG 73 41.163 57.218 22.020 1.00 1.00 ATOM 74 CA GLY 74 42.491 60.251 20.197 1.00 1.00 ATOM 75 CA ALA 75 42.729 58.218 16.998 1.00 1.00 ATOM 76 CA ARG 76 41.585 60.112 13.924 1.00 1.00 ATOM 77 CA VAL 77 39.259 58.039 11.706 1.00 1.00 ATOM 78 CA ILE 78 37.066 57.976 8.560 1.00 1.00 ATOM 79 CA VAL 79 33.570 56.472 8.718 1.00 1.00 ATOM 80 CA SER 80 30.810 55.804 6.222 1.00 1.00 ATOM 81 CA GLY 81 27.568 54.448 7.523 1.00 1.00 ATOM 82 CA ARG 82 23.846 54.847 7.874 1.00 1.00 ATOM 83 CA LEU 83 21.580 56.737 10.259 1.00 1.00 ATOM 84 CA LYS 84 19.721 54.614 12.877 1.00 1.00 ATOM 85 CA GLN 85 17.294 56.057 15.467 1.00 1.00 ATOM 86 CA ARG 86 15.769 53.560 17.874 1.00 1.00 ATOM 87 CA SER 87 12.964 54.440 20.336 1.00 1.00 ATOM 88 CA PHE 88 13.020 52.968 23.828 1.00 1.00 ATOM 89 CA GLU 89 10.370 53.674 26.527 1.00 1.00 ATOM 90 CA THR 90 11.628 54.153 30.075 1.00 1.00 ATOM 91 CA ARG 91 10.615 53.363 33.691 1.00 1.00 ATOM 92 CA GLU 92 8.635 56.530 33.987 1.00 1.00 ATOM 93 CA GLY 93 6.843 54.959 31.101 1.00 1.00 ATOM 94 CA GLU 94 7.979 57.600 28.617 1.00 1.00 ATOM 95 CA LYS 95 9.138 57.111 25.008 1.00 1.00 ATOM 96 CA ARG 96 12.699 58.219 24.351 1.00 1.00 ATOM 97 CA THR 97 14.729 57.899 21.190 1.00 1.00 ATOM 98 CA VAL 98 18.435 57.490 20.497 1.00 1.00 ATOM 99 CA ILE 99 20.062 58.421 17.137 1.00 1.00 ATOM 100 CA GLU 100 23.241 56.656 15.999 1.00 1.00 ATOM 101 CA VAL 101 25.555 55.959 13.062 1.00 1.00 ATOM 102 CA GLU 102 25.766 52.272 12.351 1.00 1.00 ATOM 103 CA VAL 103 28.567 50.541 10.469 1.00 1.00 ATOM 104 CA ASP 104 26.987 47.290 9.305 1.00 1.00 ATOM 108 CA GLU 105 33.451 51.355 6.511 1.00 1.00 ATOM 109 CA ILE 106 36.019 52.373 9.052 1.00 1.00 ATOM 110 CA GLY 107 39.567 53.503 8.218 1.00 1.00 ATOM 111 CA PRO 108 42.510 54.432 10.406 1.00 1.00 ATOM 112 CA SER 109 44.093 57.680 9.251 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 17:28:30 2002 Date: Thu, 18 Jul 2002 17:28:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:01:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_132145_12337 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS007_4 Current information on models submitted in prediction T0151TS007 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1KAW_B # Loading PARENT structure: 1kaw (chain: B) # Number of residues in PARENT structure: 96 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1KAW_B ATOM 3 CA ALA 2 7.486 31.801 50.691 1.00 1.00 ATOM 4 CA GLY 3 5.934 35.174 49.858 1.00 1.00 ATOM 5 CA ASP 4 2.872 35.655 47.664 1.00 1.00 ATOM 6 CA THR 5 2.734 36.075 43.864 1.00 1.00 ATOM 7 CA THR 6 -0.747 36.976 42.709 1.00 1.00 ATOM 8 CA ILE 7 -2.096 38.641 39.643 1.00 1.00 ATOM 9 CA THR 8 -5.693 39.637 39.003 1.00 1.00 ATOM 10 CA ILE 9 -6.807 40.821 35.635 1.00 1.00 ATOM 11 CA VAL 10 -10.181 41.589 34.140 1.00 1.00 ATOM 12 CA GLY 11 -10.209 42.269 30.436 1.00 1.00 ATOM 13 CA ASN 12 -11.179 41.141 26.960 1.00 1.00 ATOM 14 CA LEU 13 -9.361 38.763 24.650 1.00 1.00 ATOM 15 CA THR 14 -7.513 40.117 21.599 1.00 1.00 ATOM 16 CA ALA 15 -7.982 36.951 19.548 1.00 1.00 ATOM 17 CA ASP 16 -9.680 33.544 20.007 1.00 1.00 ATOM 18 CA PRO 17 -7.775 31.075 22.172 1.00 1.00 ATOM 19 CA GLU 18 -4.717 29.202 20.998 1.00 1.00 ATOM 20 CA LEU 19 -5.463 25.947 22.764 1.00 1.00 ATOM 21 CA ARG 20 -3.061 23.114 22.042 1.00 1.00 ATOM 22 CA PHE 21 -3.683 19.752 23.697 1.00 1.00 ATOM 23 CA THR 22 -0.378 18.433 24.975 1.00 1.00 ATOM 28 CA ALA 27 -3.937 20.681 27.306 1.00 1.00 ATOM 29 CA VAL 28 -2.878 24.318 27.300 1.00 1.00 ATOM 30 CA ALA 29 -4.576 27.411 25.986 1.00 1.00 ATOM 31 CA ASN 30 -2.884 30.667 25.039 1.00 1.00 ATOM 32 CA PHE 31 -4.773 33.908 25.268 1.00 1.00 ATOM 33 CA THR 32 -3.820 37.572 25.004 1.00 1.00 ATOM 34 CA VAL 33 -6.042 39.559 27.393 1.00 1.00 ATOM 35 CA ALA 34 -6.121 43.360 26.949 1.00 1.00 ATOM 36 CA SER 35 -6.582 45.653 29.929 1.00 1.00 ATOM 37 CA THR 36 -6.952 49.380 29.331 1.00 1.00 ATOM 38 CA PRO 37 -7.079 52.594 31.319 1.00 1.00 ATOM 39 CA ARG 38 -8.373 55.977 30.182 1.00 1.00 ATOM 50 CA ASP 49 -5.549 54.736 27.319 1.00 1.00 ATOM 51 CA GLU 51 -2.166 53.093 27.353 1.00 1.00 ATOM 52 CA ALA 52 -4.187 49.966 26.473 1.00 1.00 ATOM 53 CA LEU 53 -1.980 47.056 27.503 1.00 1.00 ATOM 54 CA PHE 54 -1.951 43.420 26.449 1.00 1.00 ATOM 55 CA LEU 55 -1.390 40.335 28.476 1.00 1.00 ATOM 56 CA ARG 56 -0.052 36.874 27.668 1.00 1.00 ATOM 57 CA CYS 57 -2.174 34.494 29.684 1.00 1.00 ATOM 58 CA ASN 58 -1.389 30.768 29.755 1.00 1.00 ATOM 59 CA ILE 59 -4.333 28.608 30.920 1.00 1.00 ATOM 60 CA TRP 60 -3.013 25.153 31.848 1.00 1.00 ATOM 61 CA ARG 61 -5.061 22.133 32.909 1.00 1.00 ATOM 62 CA GLU 62 -8.751 21.554 32.260 1.00 1.00 ATOM 63 CA ALA 63 -9.371 25.304 32.436 1.00 1.00 ATOM 64 CA ALA 64 -8.045 25.237 28.892 1.00 1.00 ATOM 65 CA GLU 65 -10.636 22.906 27.506 1.00 1.00 ATOM 66 CA ASN 66 -13.318 25.417 28.609 1.00 1.00 ATOM 67 CA VAL 67 -11.499 28.341 27.027 1.00 1.00 ATOM 68 CA ALA 68 -11.589 26.586 23.686 1.00 1.00 ATOM 69 CA GLU 69 -15.094 25.297 24.333 1.00 1.00 ATOM 70 CA SER 70 -16.715 28.653 24.851 1.00 1.00 ATOM 71 CA LEU 71 -14.319 31.576 25.399 1.00 1.00 ATOM 72 CA THR 72 -13.518 33.060 21.927 1.00 1.00 ATOM 73 CA ARG 73 -12.256 36.582 20.928 1.00 1.00 ATOM 74 CA GLY 74 -13.911 39.679 22.329 1.00 1.00 ATOM 75 CA ALA 75 -15.048 37.692 25.361 1.00 1.00 ATOM 76 CA ARG 76 -14.684 39.585 28.621 1.00 1.00 ATOM 77 CA VAL 77 -13.092 37.465 31.378 1.00 1.00 ATOM 78 CA ILE 78 -11.803 37.368 34.989 1.00 1.00 ATOM 79 CA VAL 79 -8.441 35.749 35.758 1.00 1.00 ATOM 80 CA SER 80 -6.455 35.022 38.892 1.00 1.00 ATOM 81 CA GLY 81 -3.034 33.546 38.491 1.00 1.00 ATOM 82 CA ARG 82 0.662 33.821 39.127 1.00 1.00 ATOM 83 CA LEU 83 3.538 35.608 37.413 1.00 1.00 ATOM 84 CA LYS 84 5.942 33.395 35.380 1.00 1.00 ATOM 85 CA GLN 85 9.012 34.727 33.513 1.00 1.00 ATOM 86 CA ARG 86 11.026 32.153 31.597 1.00 1.00 ATOM 87 CA SER 87 14.407 32.912 29.954 1.00 1.00 ATOM 88 CA PHE 88 15.217 31.402 26.574 1.00 1.00 ATOM 89 CA GLU 89 18.503 31.988 24.661 1.00 1.00 ATOM 90 CA THR 90 18.235 32.466 20.907 1.00 1.00 ATOM 91 CA ARG 91 20.132 31.600 17.685 1.00 1.00 ATOM 92 CA GLU 92 22.228 34.698 17.909 1.00 1.00 ATOM 93 CA GLY 93 23.148 33.104 21.169 1.00 1.00 ATOM 94 CA GLU 94 21.492 35.809 23.259 1.00 1.00 ATOM 95 CA LYS 95 19.413 35.402 26.440 1.00 1.00 ATOM 96 CA ARG 96 15.844 36.633 26.137 1.00 1.00 ATOM 97 CA THR 97 13.047 36.416 28.656 1.00 1.00 ATOM 98 CA VAL 98 9.277 36.135 28.355 1.00 1.00 ATOM 99 CA ILE 99 6.860 37.159 31.168 1.00 1.00 ATOM 100 CA GLU 100 3.435 35.512 31.438 1.00 1.00 ATOM 101 CA VAL 101 0.410 34.926 33.669 1.00 1.00 ATOM 102 CA GLU 102 -0.106 31.256 34.311 1.00 1.00 ATOM 103 CA VAL 103 -3.361 29.639 35.398 1.00 1.00 ATOM 104 CA ASP 104 -2.253 26.354 36.946 1.00 1.00 ATOM 108 CA GLU 105 -9.080 30.659 37.935 1.00 1.00 ATOM 109 CA ILE 106 -10.856 31.729 34.806 1.00 1.00 ATOM 110 CA GLY 107 -14.458 32.983 34.677 1.00 1.00 ATOM 111 CA PRO 108 -16.692 33.980 31.792 1.00 1.00 ATOM 112 CA SER 109 -18.410 37.292 32.481 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 17:43:18 2002 Date: Thu, 18 Jul 2002 17:43:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:14:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_267549_12394 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS007_3 Current information on models submitted in prediction T0151TS007 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_3 PIN_267549_12394 6269-7633-6117 07/18/02 17:14:56 casp5@bialko.llnl.gov T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_3 PIN_267549_12394 6269-7633-6117 07/18/02 17:14:56 casp5@bialko.llnl.gov T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1QVC_D # Loading PARENT structure: 1qvc (chain: D) # Number of residues in PARENT structure: 140 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue T 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue K 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue A 115 # IMPORTANT NOTE! Not complete main chain atoms for residue K 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue F 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 134 # Total number of atoms in model: 134 # Number of atoms with 1.0 occupancy: 134 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 134 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1QVC_D ATOM 603 CA ALA 2 38.475 -3.056 3.199 1.00 1.00 ATOM 604 CA GLY 3 37.493 -4.731 6.452 1.00 1.00 ATOM 605 CA ASP 4 37.669 -3.423 10.002 1.00 1.00 ATOM 606 CA THR 5 40.833 -2.912 12.026 1.00 1.00 ATOM 607 CA THR 6 40.001 -1.816 15.549 1.00 1.00 ATOM 608 CA ILE 7 41.959 -1.995 18.789 1.00 1.00 ATOM 609 CA THR 8 40.275 -1.049 22.053 1.00 1.00 ATOM 610 CA ILE 9 42.535 -0.734 25.086 1.00 1.00 ATOM 611 CA VAL 10 42.122 0.291 28.721 1.00 1.00 ATOM 612 CA GLY 11 45.388 0.280 30.676 1.00 1.00 ATOM 613 CA ASN 12 48.175 2.158 32.471 1.00 1.00 ATOM 614 CA LEU 13 51.216 3.858 31.013 1.00 1.00 ATOM 615 CA THR 14 54.466 2.238 32.042 1.00 1.00 ATOM 616 CA ALA 15 56.504 5.344 31.248 1.00 1.00 ATOM 617 CA ASP 16 56.405 9.102 30.578 1.00 1.00 ATOM 618 CA PRO 17 54.843 10.356 27.292 1.00 1.00 ATOM 619 CA GLU 18 57.916 10.466 25.044 1.00 1.00 ATOM 620 CA LEU 19 56.861 13.212 22.613 1.00 1.00 ATOM 621 CA ARG 20 58.706 13.766 19.334 1.00 1.00 ATOM 622 CA PHE 21 58.043 16.429 16.715 1.00 1.00 ATOM 623 CA THR 22 58.619 15.516 13.079 1.00 1.00 ATOM 624 CA PRO 23 59.735 18.080 10.431 1.00 1.00 ATOM 625 CA SER 24 56.286 19.176 9.270 1.00 1.00 ATOM 626 CA GLY 25 54.707 20.421 12.472 1.00 1.00 ATOM 627 CA ALA 26 52.522 17.790 14.107 1.00 1.00 ATOM 628 CA ALA 27 54.061 15.902 17.018 1.00 1.00 ATOM 629 CA VAL 28 54.026 12.235 17.975 1.00 1.00 ATOM 630 CA ALA 29 53.904 10.562 21.379 1.00 1.00 ATOM 631 CA ASN 30 55.123 7.005 21.803 1.00 1.00 ATOM 632 CA PHE 31 53.407 5.748 24.922 1.00 1.00 ATOM 633 CA THR 32 53.505 2.281 26.474 1.00 1.00 ATOM 634 CA VAL 33 50.380 0.729 27.988 1.00 1.00 ATOM 635 CA ALA 34 50.008 -2.372 30.054 1.00 1.00 ATOM 636 CA SER 35 47.080 -4.746 30.451 1.00 1.00 ATOM 637 CA THR 36 47.167 -7.986 32.415 1.00 1.00 ATOM 638 CA PRO 37 45.394 -11.228 33.229 1.00 1.00 ATOM 639 CA ARG 38 45.672 -13.109 36.535 1.00 1.00 ATOM 640 CA ILE 39 45.245 -16.876 36.607 1.00 1.00 ATOM 641 CA TYR 40 45.102 -18.853 39.852 1.00 1.00 ATOM 642 CA ASP 41 45.124 -22.619 39.302 1.00 1.00 ATOM 643 CA ARG 42 47.582 -24.898 41.120 1.00 1.00 ATOM 644 CA GLN 43 48.591 -27.502 38.538 1.00 1.00 ATOM 645 CA THR 44 51.312 -25.031 37.565 1.00 1.00 ATOM 646 CA GLY 45 51.615 -23.436 40.992 1.00 1.00 ATOM 647 CA GLU 46 49.438 -21.075 43.020 1.00 1.00 ATOM 648 CA TRP 47 48.606 -17.735 41.362 1.00 1.00 ATOM 649 CA LYS 48 50.112 -16.658 38.013 1.00 1.00 ATOM 650 CA ASP 49 49.818 -13.415 36.029 1.00 1.00 ATOM 651 CA GLU 51 50.476 -12.301 32.428 1.00 1.00 ATOM 652 CA ALA 52 50.807 -8.602 31.617 1.00 1.00 ATOM 653 CA LEU 53 50.833 -7.432 27.984 1.00 1.00 ATOM 654 CA PHE 54 52.797 -4.362 27.004 1.00 1.00 ATOM 655 CA LEU 55 51.281 -2.416 24.131 1.00 1.00 ATOM 656 CA ARG 56 53.204 -0.067 21.907 1.00 1.00 ATOM 657 CA CYS 57 50.758 2.800 21.231 1.00 1.00 ATOM 658 CA ASN 58 51.402 5.830 19.030 1.00 1.00 ATOM 659 CA ILE 59 49.648 9.198 19.044 1.00 1.00 ATOM 660 CA TRP 60 49.755 12.022 16.507 1.00 1.00 ATOM 661 CA ARG 61 48.785 15.676 16.694 1.00 1.00 ATOM 662 CA GLU 62 46.655 17.204 19.441 1.00 1.00 ATOM 663 CA ALA 63 46.272 13.894 21.279 1.00 1.00 ATOM 664 CA ALA 64 50.060 13.678 21.450 1.00 1.00 ATOM 665 CA GLU 65 50.237 17.172 22.937 1.00 1.00 ATOM 666 CA ASN 66 47.421 16.234 25.297 1.00 1.00 ATOM 667 CA VAL 67 49.190 13.072 26.405 1.00 1.00 ATOM 668 CA ALA 68 52.507 14.823 27.060 1.00 1.00 ATOM 669 CA GLU 69 51.121 17.481 29.384 1.00 1.00 ATOM 670 CA SER 70 48.552 15.318 31.164 1.00 1.00 ATOM 671 CA LEU 71 49.471 11.633 30.904 1.00 1.00 ATOM 672 CA THR 72 52.137 10.298 33.245 1.00 1.00 ATOM 673 CA ARG 73 53.489 6.997 34.537 1.00 1.00 ATOM 674 CA GLY 74 50.441 5.304 36.000 1.00 1.00 ATOM 675 CA ALA 75 47.749 7.275 34.160 1.00 1.00 ATOM 676 CA ARG 76 44.902 4.954 33.227 1.00 1.00 ATOM 677 CA VAL 77 43.606 5.608 29.735 1.00 1.00 ATOM 678 CA ILE 78 41.088 4.411 27.110 1.00 1.00 ATOM 679 CA VAL 79 42.201 4.027 23.517 1.00 1.00 ATOM 680 CA SER 80 40.717 3.245 20.148 1.00 1.00 ATOM 681 CA GLY 81 43.215 2.697 17.411 1.00 1.00 ATOM 682 CA ARG 82 44.160 0.423 14.611 1.00 1.00 ATOM 683 CA LEU 83 46.992 -2.077 14.224 1.00 1.00 ATOM 684 CA LYS 84 50.061 -1.131 12.235 1.00 1.00 ATOM 685 CA GLN 85 53.095 -3.337 11.623 1.00 1.00 ATOM 686 CA ARG 86 56.125 -1.289 10.617 1.00 1.00 ATOM 687 CA SER 87 59.562 -2.205 9.307 1.00 1.00 ATOM 688 CA PHE 88 62.842 -0.757 10.555 1.00 1.00 ATOM 689 CA GLU 89 66.493 -1.790 10.215 1.00 1.00 ATOM 690 CA THR 90 68.696 -1.747 13.313 1.00 1.00 ATOM 691 CA ARG 91 71.383 -4.283 12.479 1.00 1.00 ATOM 692 CA GLU 92 69.872 -4.913 9.059 1.00 1.00 ATOM 693 CA GLY 93 68.040 -8.188 8.532 1.00 1.00 ATOM 694 CA GLU 94 64.812 -6.260 9.072 1.00 1.00 ATOM 695 CA LYS 95 62.776 -5.920 12.257 1.00 1.00 ATOM 696 CA ARG 96 58.975 -5.754 12.376 1.00 1.00 ATOM 697 CA THR 97 57.131 -3.810 15.088 1.00 1.00 ATOM 698 CA VAL 98 53.374 -4.000 15.629 1.00 1.00 ATOM 699 CA ILE 99 52.021 -0.806 17.135 1.00 1.00 ATOM 700 CA GLU 100 48.600 0.465 18.120 1.00 1.00 ATOM 701 CA VAL 101 48.046 3.596 16.037 1.00 1.00 ATOM 702 CA GLU 102 45.590 6.254 17.236 1.00 1.00 ATOM 703 CA VAL 103 45.014 8.525 14.233 1.00 1.00 ATOM 704 CA ASP 104 41.843 10.268 12.939 1.00 1.00 ATOM 708 CA GLU 105 42.126 8.382 23.577 1.00 1.00 ATOM 709 CA ILE 106 40.396 9.380 26.798 1.00 1.00 ATOM 710 CA GLY 107 41.808 10.038 30.266 1.00 1.00 ATOM 711 CA PRO 108 40.249 8.290 33.267 1.00 1.00 ATOM 712 CA SER 109 40.078 10.219 36.556 1.00 1.00 ATOM 713 CA LEU 110 42.103 12.785 34.631 1.00 1.00 ATOM 714 CA ARG 111 41.730 15.385 31.903 1.00 1.00 ATOM 715 CA TYR 112 41.762 18.157 34.501 1.00 1.00 ATOM 716 CA ALA 113 40.177 21.585 34.015 1.00 1.00 ATOM 717 CA THR 114 36.910 19.896 34.922 1.00 1.00 ATOM 718 CA ALA 115 33.679 20.026 32.967 1.00 1.00 ATOM 719 CA LYS 116 32.637 23.625 32.449 1.00 1.00 ATOM 720 CA VAL 117 30.281 24.240 35.371 1.00 1.00 ATOM 721 CA ASN 118 26.702 23.690 36.636 1.00 1.00 ATOM 723 CA LYS 119 22.772 26.580 38.287 1.00 1.00 ATOM 724 CA ALA 120 25.649 26.410 40.741 1.00 1.00 ATOM 725 CA SER 121 29.114 27.745 41.556 1.00 1.00 ATOM 726 CA ARG 122 27.934 31.238 40.609 1.00 1.00 ATOM 727 CA SER 123 29.870 32.628 43.556 1.00 1.00 ATOM 728 CA GLY 124 29.288 30.356 46.523 1.00 1.00 ATOM 729 CA GLY 125 26.879 27.457 46.183 1.00 1.00 ATOM 730 CA PHE 126 23.216 26.536 46.645 1.00 1.00 ATOM 731 CA GLY 127 20.338 27.921 48.787 1.00 1.00 ATOM 732 CA SER 128 19.277 26.646 52.217 1.00 1.00 ATOM 733 CA GLY 129 21.869 27.083 54.953 1.00 1.00 ATOM 734 CA SER 130 24.931 27.517 52.772 1.00 1.00 ATOM 735 CA ARG 131 26.843 26.390 49.685 1.00 1.00 ATOM 736 CA PRO 132 26.105 22.661 49.905 1.00 1.00 ATOM 737 CA ALA 133 29.584 21.129 50.095 1.00 1.00 ATOM 738 CA PRO 134 28.306 17.651 49.060 1.00 1.00 ATOM 739 CA ALA 135 28.869 18.033 45.314 1.00 1.00 ATOM 740 CA GLN 136 30.040 14.557 44.279 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 17:52:33 2002 Date: Thu, 18 Jul 2002 17:52:27 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:24:21 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_364359_12436 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS007_2 Current information on models submitted in prediction T0151TS007 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_2 PIN_364359_12436 6269-7633-6117 07/18/02 17:24:21 casp5@bialko.llnl.gov T0151TS007_3 PIN_267549_12394 6269-7633-6117 07/18/02 17:14:56 casp5@bialko.llnl.gov T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_2 PIN_364359_12436 6269-7633-6117 07/18/02 17:24:21 casp5@bialko.llnl.gov T0151TS007_3 PIN_267549_12394 6269-7633-6117 07/18/02 17:14:56 casp5@bialko.llnl.gov T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1QVC_C # Loading PARENT structure: 1qvc (chain: C) # Number of residues in PARENT structure: 144 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue T 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue K 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue A 115 # IMPORTANT NOTE! Not complete main chain atoms for residue K 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue F 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue S 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 138 # Total number of atoms in model: 138 # Number of atoms with 1.0 occupancy: 138 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 138 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1QVC_C ATOM 403 CA ALA 2 44.018 -5.689 34.714 1.00 1.00 ATOM 404 CA GLY 3 42.587 -3.387 32.041 1.00 1.00 ATOM 405 CA ASP 4 41.076 -4.182 28.632 1.00 1.00 ATOM 406 CA THR 5 42.814 -5.785 25.703 1.00 1.00 ATOM 407 CA THR 6 40.480 -6.061 22.708 1.00 1.00 ATOM 408 CA ILE 7 40.878 -6.403 18.984 1.00 1.00 ATOM 409 CA THR 8 38.027 -6.346 16.519 1.00 1.00 ATOM 410 CA ILE 9 38.753 -7.483 13.018 1.00 1.00 ATOM 411 CA VAL 10 36.764 -7.982 9.879 1.00 1.00 ATOM 412 CA GLY 11 38.831 -9.028 6.924 1.00 1.00 ATOM 413 CA ASN 12 39.705 -11.734 4.448 1.00 1.00 ATOM 414 CA LEU 13 42.106 -14.631 4.836 1.00 1.00 ATOM 415 CA THR 14 44.847 -13.610 2.446 1.00 1.00 ATOM 416 CA ALA 15 45.823 -17.260 2.466 1.00 1.00 ATOM 417 CA ASP 16 44.795 -20.771 3.470 1.00 1.00 ATOM 418 CA PRO 17 44.302 -21.807 7.124 1.00 1.00 ATOM 419 CA GLU 18 47.277 -23.553 8.740 1.00 1.00 ATOM 420 CA LEU 19 45.764 -26.074 11.146 1.00 1.00 ATOM 421 CA ARG 20 47.819 -28.179 13.583 1.00 1.00 ATOM 422 CA PHE 21 46.287 -30.794 15.877 1.00 1.00 ATOM 423 CA THR 22 47.852 -31.627 19.229 1.00 1.00 ATOM 424 CA PRO 23 46.529 -34.893 20.754 1.00 1.00 ATOM 425 CA SER 24 47.342 -33.548 24.218 1.00 1.00 ATOM 426 CA GLY 25 46.431 -29.872 24.293 1.00 1.00 ATOM 427 CA ALA 26 44.093 -29.564 21.336 1.00 1.00 ATOM 428 CA ALA 27 44.113 -28.257 17.771 1.00 1.00 ATOM 429 CA VAL 28 45.377 -24.795 16.782 1.00 1.00 ATOM 430 CA ALA 29 44.813 -22.848 13.568 1.00 1.00 ATOM 431 CA ASN 30 46.801 -19.886 12.294 1.00 1.00 ATOM 432 CA PHE 31 45.239 -17.605 9.710 1.00 1.00 ATOM 433 CA THR 32 46.184 -14.315 8.129 1.00 1.00 ATOM 434 CA VAL 33 43.669 -11.468 7.690 1.00 1.00 ATOM 435 CA ALA 34 44.187 -8.357 5.607 1.00 1.00 ATOM 436 CA SER 35 42.407 -5.041 6.236 1.00 1.00 ATOM 437 CA THR 36 42.602 -2.278 3.631 1.00 1.00 ATOM 438 CA PRO 37 42.627 1.508 3.469 1.00 1.00 ATOM 439 CA ARG 38 42.081 3.460 0.239 1.00 1.00 ATOM 440 CA ILE 39 42.738 7.177 -0.238 1.00 1.00 ATOM 441 CA TYR 40 43.084 8.958 -3.578 1.00 1.00 ATOM 442 CA ASP 41 46.099 11.272 -3.478 1.00 1.00 ATOM 443 CA ARG 42 49.885 11.624 -3.756 1.00 1.00 ATOM 444 CA GLN 43 51.755 12.522 -6.951 1.00 1.00 ATOM 445 CA THR 44 50.160 11.641 -10.281 1.00 1.00 ATOM 446 CA GLY 45 48.494 8.472 -9.026 1.00 1.00 ATOM 447 CA GLU 46 44.884 7.373 -8.652 1.00 1.00 ATOM 448 CA TRP 47 44.061 6.317 -5.092 1.00 1.00 ATOM 449 CA LYS 48 46.797 4.596 -3.102 1.00 1.00 ATOM 450 CA ASP 49 46.198 1.428 -1.099 1.00 1.00 ATOM 451 CA GLU 51 47.693 0.098 2.105 1.00 1.00 ATOM 452 CA ALA 52 46.810 -3.243 3.602 1.00 1.00 ATOM 453 CA LEU 53 47.596 -4.538 7.068 1.00 1.00 ATOM 454 CA PHE 54 48.147 -8.218 7.541 1.00 1.00 ATOM 455 CA LEU 55 47.150 -9.708 10.860 1.00 1.00 ATOM 456 CA ARG 56 48.325 -12.959 12.387 1.00 1.00 ATOM 457 CA CYS 57 45.313 -14.529 14.065 1.00 1.00 ATOM 458 CA ASN 58 45.564 -17.708 16.138 1.00 1.00 ATOM 459 CA ILE 59 42.502 -19.792 16.879 1.00 1.00 ATOM 460 CA TRP 60 42.198 -22.437 19.605 1.00 1.00 ATOM 461 CA ARG 61 39.888 -25.351 20.312 1.00 1.00 ATOM 462 CA GLU 62 36.722 -25.812 18.285 1.00 1.00 ATOM 463 CA ALA 63 37.207 -22.474 16.526 1.00 1.00 ATOM 464 CA ALA 64 40.385 -23.738 14.900 1.00 1.00 ATOM 465 CA GLU 65 38.422 -26.883 13.981 1.00 1.00 ATOM 466 CA ASN 66 35.469 -25.003 12.521 1.00 1.00 ATOM 467 CA VAL 67 37.936 -22.861 10.605 1.00 1.00 ATOM 468 CA ALA 68 39.821 -25.800 9.109 1.00 1.00 ATOM 469 CA GLU 69 36.723 -27.370 7.580 1.00 1.00 ATOM 470 CA SER 70 34.893 -24.266 6.404 1.00 1.00 ATOM 471 CA LEU 71 37.492 -21.541 5.955 1.00 1.00 ATOM 472 CA THR 72 39.748 -21.044 2.969 1.00 1.00 ATOM 473 CA ARG 73 41.635 -18.204 1.323 1.00 1.00 ATOM 474 CA GLY 74 39.261 -15.362 0.485 1.00 1.00 ATOM 475 CA ALA 75 36.891 -16.105 3.351 1.00 1.00 ATOM 476 CA ARG 76 35.501 -13.119 5.223 1.00 1.00 ATOM 477 CA VAL 77 35.583 -13.312 8.990 1.00 1.00 ATOM 478 CA ILE 78 34.700 -11.275 12.003 1.00 1.00 ATOM 479 CA VAL 79 37.229 -11.697 14.776 1.00 1.00 ATOM 480 CA SER 80 37.225 -10.746 18.409 1.00 1.00 ATOM 481 CA GLY 81 40.413 -11.590 20.302 1.00 1.00 ATOM 482 CA ARG 82 43.232 -9.969 22.253 1.00 1.00 ATOM 483 CA LEU 83 46.795 -8.973 21.471 1.00 1.00 ATOM 484 CA LYS 84 49.744 -11.188 22.323 1.00 1.00 ATOM 485 CA GLN 85 53.405 -10.407 21.888 1.00 1.00 ATOM 486 CA ARG 86 55.755 -13.326 22.318 1.00 1.00 ATOM 487 CA SER 87 59.506 -13.491 22.477 1.00 1.00 ATOM 488 CA PHE 88 61.791 -16.067 20.912 1.00 1.00 ATOM 489 CA GLU 89 65.392 -16.382 19.764 1.00 1.00 ATOM 490 CA THR 90 65.838 -17.019 16.045 1.00 1.00 ATOM 491 CA ARG 91 69.260 -18.442 16.807 1.00 1.00 ATOM 492 CA GLU 92 71.065 -15.802 18.853 1.00 1.00 ATOM 493 CA GLY 93 68.931 -12.763 18.070 1.00 1.00 ATOM 494 CA GLU 94 65.945 -11.999 20.288 1.00 1.00 ATOM 495 CA LYS 95 62.703 -11.484 18.395 1.00 1.00 ATOM 496 CA ARG 96 59.146 -10.508 19.180 1.00 1.00 ATOM 497 CA THR 97 56.039 -11.523 17.294 1.00 1.00 ATOM 498 CA VAL 98 52.691 -9.791 17.849 1.00 1.00 ATOM 499 CA ILE 99 49.503 -11.628 17.072 1.00 1.00 ATOM 500 CA GLU 100 45.818 -11.600 17.649 1.00 1.00 ATOM 501 CA VAL 101 44.683 -14.386 19.905 1.00 1.00 ATOM 502 CA GLU 102 41.167 -15.735 20.054 1.00 1.00 ATOM 503 CA VAL 103 40.669 -17.176 23.529 1.00 1.00 ATOM 504 CA ASP 104 37.455 -18.213 25.277 1.00 1.00 ATOM 508 CA GLU 105 34.986 -15.702 15.167 1.00 1.00 ATOM 509 CA ILE 106 32.075 -15.642 12.751 1.00 1.00 ATOM 510 CA GLY 107 32.029 -16.489 9.057 1.00 1.00 ATOM 511 CA PRO 108 30.726 -13.487 7.083 1.00 1.00 ATOM 512 CA SER 109 30.604 -13.231 3.294 1.00 1.00 ATOM 513 CA LEU 110 27.225 -14.744 2.467 1.00 1.00 ATOM 514 CA ARG 111 25.125 -17.473 4.034 1.00 1.00 ATOM 515 CA TYR 112 25.153 -18.699 7.625 1.00 1.00 ATOM 516 CA ALA 113 26.660 -21.912 9.016 1.00 1.00 ATOM 517 CA THR 114 24.690 -25.074 9.777 1.00 1.00 ATOM 518 CA ALA 115 23.469 -26.903 12.864 1.00 1.00 ATOM 519 CA LYS 116 23.855 -24.521 15.784 1.00 1.00 ATOM 520 CA VAL 117 26.819 -22.597 14.393 1.00 1.00 ATOM 521 CA ASN 118 29.045 -20.692 14.271 1.00 1.00 ATOM 523 CA LYS 119 32.043 -23.453 20.155 1.00 1.00 ATOM 524 CA ALA 120 31.401 -25.708 23.129 1.00 1.00 ATOM 525 CA SER 121 32.208 -23.846 26.345 1.00 1.00 ATOM 526 CA ARG 122 29.258 -22.271 28.160 1.00 1.00 ATOM 527 CA SER 123 25.650 -23.366 27.809 1.00 1.00 ATOM 528 CA GLY 124 23.771 -26.647 27.781 1.00 1.00 ATOM 529 CA GLY 125 20.154 -27.642 28.274 1.00 1.00 ATOM 530 CA PHE 126 19.514 -29.496 31.536 1.00 1.00 ATOM 531 CA GLY 127 15.824 -30.265 30.797 1.00 1.00 ATOM 532 CA SER 128 13.768 -30.248 34.000 1.00 1.00 ATOM 533 CA GLY 129 10.811 -32.553 33.429 1.00 1.00 ATOM 534 CA SER 130 11.110 -35.647 35.588 1.00 1.00 ATOM 535 CA ARG 131 9.408 -36.710 38.810 1.00 1.00 ATOM 536 CA PRO 132 10.599 -33.634 40.686 1.00 1.00 ATOM 537 CA ALA 133 13.737 -31.510 41.050 1.00 1.00 ATOM 538 CA PRO 134 11.805 -28.225 41.335 1.00 1.00 ATOM 539 CA ALA 135 14.439 -26.950 43.791 1.00 1.00 ATOM 540 CA GLN 136 18.027 -26.754 42.490 1.00 1.00 ATOM 541 CA THR 137 18.760 -24.558 39.414 1.00 1.00 ATOM 542 CA SER 138 17.482 -25.573 35.980 1.00 1.00 ATOM 543 CA SER 139 21.075 -25.446 34.777 1.00 1.00 ATOM 544 CA ALA 140 22.184 -24.162 31.392 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 18 18:11:07 2002 Date: Thu, 18 Jul 2002 18:11:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0151 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 Thu Jul 18 17:43:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_557038_12515 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS007_1 Current information on models submitted in prediction T0151TS007 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_1 PIN_557038_12515 6269-7633-6117 07/18/02 17:43:47 casp5@bialko.llnl.gov T0151TS007_2 PIN_364359_12436 6269-7633-6117 07/18/02 17:24:21 casp5@bialko.llnl.gov T0151TS007_3 PIN_267549_12394 6269-7633-6117 07/18/02 17:14:56 casp5@bialko.llnl.gov T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS007_1 PIN_557038_12515 6269-7633-6117 07/18/02 17:43:47 casp5@bialko.llnl.gov T0151TS007_2 PIN_364359_12436 6269-7633-6117 07/18/02 17:24:21 casp5@bialko.llnl.gov T0151TS007_3 PIN_267549_12394 6269-7633-6117 07/18/02 17:14:56 casp5@bialko.llnl.gov T0151TS007_4 PIN_132145_12337 6269-7633-6117 07/18/02 17:01:30 casp5@bialko.llnl.gov T0151TS007_5 PIN_120542_12334 6269-7633-6117 07/18/02 17:00:14 casp5@bialko.llnl.gov T0151SS007_1 PIN_280800_12084 6269-7633-6117 07/12/02 10:16:41 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 T0151 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1QVC_B # Loading PARENT structure: 1qvc (chain: B) # Number of residues in PARENT structure: 144 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue D 4 # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue T 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue D 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue E 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue T 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue S 24 # IMPORTANT NOTE! Not complete main chain atoms for residue G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue A 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue F 31 # IMPORTANT NOTE! Not complete main chain atoms for residue T 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 43 # IMPORTANT NOTE! Not complete main chain atoms for residue T 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue K 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue F 54 # IMPORTANT NOTE! Not complete main chain atoms for residue L 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue I 59 # IMPORTANT NOTE! Not complete main chain atoms for residue W 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 72 # IMPORTANT NOTE! Not complete main chain atoms for residue R 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue E 89 # IMPORTANT NOTE! Not complete main chain atoms for residue T 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 E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue R 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 97 # IMPORTANT NOTE! Not complete main chain atoms for residue V 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue E 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue A 115 # IMPORTANT NOTE! Not complete main chain atoms for residue K 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue N 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue F 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue R 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue S 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0151 # Total number of residues in target: 164 # Total number of residues in model: 138 # Total number of atoms in model: 138 # Number of atoms with 1.0 occupancy: 138 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 138 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1QVC_B ATOM 203 CA ALA 2 32.614 11.995 28.970 1.00 1.00 ATOM 204 CA GLY 3 32.866 8.239 29.028 1.00 1.00 ATOM 205 CA ASP 4 32.523 5.733 26.234 1.00 1.00 ATOM 206 CA THR 5 29.313 4.929 24.428 1.00 1.00 ATOM 207 CA THR 6 29.999 2.427 21.711 1.00 1.00 ATOM 208 CA ILE 7 27.880 -0.163 19.937 1.00 1.00 ATOM 209 CA THR 8 29.149 -2.633 17.340 1.00 1.00 ATOM 210 CA ILE 9 26.729 -4.534 15.209 1.00 1.00 ATOM 211 CA VAL 10 26.842 -7.041 12.419 1.00 1.00 ATOM 212 CA GLY 11 23.645 -8.239 10.846 1.00 1.00 ATOM 213 CA ASN 12 21.232 -7.790 7.964 1.00 1.00 ATOM 214 CA LEU 13 18.463 -5.387 7.068 1.00 1.00 ATOM 215 CA THR 14 14.951 -6.593 7.808 1.00 1.00 ATOM 216 CA ALA 15 13.664 -4.106 5.229 1.00 1.00 ATOM 217 CA ASP 16 14.954 -1.637 2.649 1.00 1.00 ATOM 218 CA PRO 17 16.510 1.624 3.933 1.00 1.00 ATOM 219 CA GLU 18 14.235 4.562 4.799 1.00 1.00 ATOM 220 CA LEU 19 15.946 7.770 3.743 1.00 1.00 ATOM 221 CA ARG 20 14.885 11.411 3.516 1.00 1.00 ATOM 222 CA PHE 21 16.682 14.619 2.579 1.00 1.00 ATOM 223 CA THR 22 16.135 17.921 4.365 1.00 1.00 ATOM 224 CA PRO 23 18.184 21.121 3.861 1.00 1.00 ATOM 225 CA SER 24 19.187 21.451 7.520 1.00 1.00 ATOM 226 CA GLY 25 21.824 18.781 8.029 1.00 1.00 ATOM 227 CA ALA 26 21.701 16.803 4.807 1.00 1.00 ATOM 228 CA ALA 27 20.098 13.347 4.756 1.00 1.00 ATOM 229 CA VAL 28 18.947 10.765 7.279 1.00 1.00 ATOM 230 CA ALA 29 18.411 7.017 6.975 1.00 1.00 ATOM 231 CA ASN 30 16.617 4.495 9.168 1.00 1.00 ATOM 232 CA PHE 31 17.656 0.859 9.181 1.00 1.00 ATOM 233 CA THR 32 16.471 -2.236 11.010 1.00 1.00 ATOM 234 CA VAL 33 19.123 -4.859 11.760 1.00 1.00 ATOM 235 CA ALA 34 18.605 -8.331 13.109 1.00 1.00 ATOM 236 CA SER 35 21.100 -10.309 15.191 1.00 1.00 ATOM 237 CA THR 36 20.248 -13.897 16.150 1.00 1.00 ATOM 238 CA PRO 37 21.417 -16.904 18.160 1.00 1.00 ATOM 239 CA ARG 38 21.201 -20.515 16.960 1.00 1.00 ATOM 240 CA ILE 39 19.294 -22.524 19.563 1.00 1.00 ATOM 241 CA TYR 40 19.460 -26.310 19.351 1.00 1.00 ATOM 242 CA ASP 41 16.770 -27.125 21.945 1.00 1.00 ATOM 243 CA ARG 42 16.590 -30.916 21.927 1.00 1.00 ATOM 244 CA GLN 43 14.259 -31.160 24.926 1.00 1.00 ATOM 245 CA THR 44 11.614 -31.042 22.192 1.00 1.00 ATOM 246 CA GLY 45 13.893 -32.175 19.373 1.00 1.00 ATOM 247 CA GLU 46 13.414 -29.193 17.060 1.00 1.00 ATOM 248 CA TRP 47 15.501 -26.024 16.705 1.00 1.00 ATOM 249 CA LYS 48 14.643 -22.620 18.180 1.00 1.00 ATOM 250 CA ASP 49 15.597 -18.954 17.728 1.00 1.00 ATOM 251 CA GLU 51 15.567 -15.414 19.161 1.00 1.00 ATOM 252 CA ALA 52 16.437 -12.451 16.934 1.00 1.00 ATOM 253 CA LEU 53 16.930 -8.863 18.131 1.00 1.00 ATOM 254 CA PHE 54 15.888 -5.881 16.051 1.00 1.00 ATOM 255 CA LEU 55 18.047 -2.796 16.267 1.00 1.00 ATOM 256 CA ARG 56 16.974 0.643 15.103 1.00 1.00 ATOM 257 CA CYS 57 19.958 2.261 13.403 1.00 1.00 ATOM 258 CA ASN 58 19.996 5.869 12.188 1.00 1.00 ATOM 259 CA ILE 59 22.610 6.976 9.642 1.00 1.00 ATOM 260 CA TRP 60 23.391 10.587 8.707 1.00 1.00 ATOM 261 CA ARG 61 24.889 12.418 5.728 1.00 1.00 ATOM 262 CA GLU 62 27.175 10.409 3.447 1.00 1.00 ATOM 263 CA ALA 63 26.387 7.147 5.204 1.00 1.00 ATOM 264 CA ALA 64 22.699 7.919 4.837 1.00 1.00 ATOM 265 CA GLU 65 23.306 8.606 1.139 1.00 1.00 ATOM 266 CA ASN 66 25.425 5.469 0.753 1.00 1.00 ATOM 267 CA VAL 67 22.833 3.373 2.573 1.00 1.00 ATOM 268 CA ALA 68 20.060 4.282 0.127 1.00 1.00 ATOM 269 CA GLU 69 22.085 3.729 -3.035 1.00 1.00 ATOM 270 CA SER 70 23.696 0.479 -1.846 1.00 1.00 ATOM 271 CA LEU 71 21.940 -1.048 1.158 1.00 1.00 ATOM 272 CA THR 72 18.899 -3.246 0.635 1.00 1.00 ATOM 273 CA ARG 73 16.813 -5.778 2.541 1.00 1.00 ATOM 274 CA GLY 74 18.837 -8.780 3.669 1.00 1.00 ATOM 275 CA ALA 75 22.121 -6.944 3.159 1.00 1.00 ATOM 276 CA ARG 76 24.748 -7.850 5.753 1.00 1.00 ATOM 277 CA VAL 77 26.281 -4.771 7.378 1.00 1.00 ATOM 278 CA ILE 78 28.791 -3.845 10.086 1.00 1.00 ATOM 279 CA VAL 79 27.849 -0.925 12.291 1.00 1.00 ATOM 280 CA SER 80 29.782 1.111 14.802 1.00 1.00 ATOM 281 CA GLY 81 27.698 3.819 16.483 1.00 1.00 ATOM 282 CA ARG 82 26.363 4.868 19.898 1.00 1.00 ATOM 283 CA LEU 83 23.186 4.688 21.934 1.00 1.00 ATOM 284 CA LYS 84 20.692 7.563 21.980 1.00 1.00 ATOM 285 CA GLN 85 17.436 7.443 23.881 1.00 1.00 ATOM 286 CA ARG 86 15.087 10.173 22.715 1.00 1.00 ATOM 287 CA SER 87 11.806 11.157 24.345 1.00 1.00 ATOM 288 CA PHE 88 8.522 12.036 22.652 1.00 1.00 ATOM 289 CA GLU 89 4.800 12.447 23.363 1.00 1.00 ATOM 290 CA THR 90 2.635 10.277 21.132 1.00 1.00 ATOM 291 CA ARG 91 -0.531 12.244 21.920 1.00 1.00 ATOM 292 CA GLU 92 -0.819 12.058 25.736 1.00 1.00 ATOM 293 CA GLY 93 1.522 9.140 26.401 1.00 1.00 ATOM 294 CA GLU 94 5.177 9.980 26.924 1.00 1.00 ATOM 295 CA LYS 95 7.444 7.431 25.242 1.00 1.00 ATOM 296 CA ARG 96 11.172 6.877 24.759 1.00 1.00 ATOM 297 CA THR 97 13.133 5.725 21.752 1.00 1.00 ATOM 298 CA VAL 98 16.570 4.158 22.147 1.00 1.00 ATOM 299 CA ILE 99 18.426 3.781 18.894 1.00 1.00 ATOM 300 CA GLU 100 21.853 3.207 17.411 1.00 1.00 ATOM 301 CA VAL 101 23.272 6.432 16.017 1.00 1.00 ATOM 302 CA GLU 102 26.201 6.529 13.630 1.00 1.00 ATOM 303 CA VAL 103 27.872 9.920 14.028 1.00 1.00 ATOM 304 CA ASP 104 31.223 11.166 12.666 1.00 1.00 ATOM 308 CA GLU 105 29.129 1.649 8.665 1.00 1.00 ATOM 309 CA ILE 106 30.443 -0.953 6.247 1.00 1.00 ATOM 310 CA GLY 107 28.897 -3.394 3.779 1.00 1.00 ATOM 311 CA PRO 108 30.026 -7.015 4.076 1.00 1.00 ATOM 312 CA SER 109 29.441 -8.322 0.547 1.00 1.00 ATOM 313 CA LEU 110 31.160 -6.964 -2.550 1.00 1.00 ATOM 314 CA ARG 111 30.651 -5.421 -5.966 1.00 1.00 ATOM 315 CA TYR 112 26.951 -6.159 -6.486 1.00 1.00 ATOM 316 CA ALA 113 24.760 -4.049 -8.792 1.00 1.00 ATOM 317 CA THR 114 22.166 -1.764 -7.227 1.00 1.00 ATOM 318 CA ALA 115 21.818 -3.058 -3.689 1.00 1.00 ATOM 319 CA LYS 116 21.904 -6.747 -2.858 1.00 1.00 ATOM 320 CA VAL 117 18.945 -8.927 -1.901 1.00 1.00 ATOM 321 CA ASN 118 19.897 -12.459 -0.716 1.00 1.00 ATOM 323 CA LYS 119 17.905 -16.950 0.981 1.00 1.00 ATOM 324 CA ALA 120 14.703 -16.322 2.900 1.00 1.00 ATOM 325 CA SER 121 13.573 -15.554 6.457 1.00 1.00 ATOM 326 CA ARG 122 13.946 -18.279 9.090 1.00 1.00 ATOM 327 CA SER 123 11.385 -18.339 11.887 1.00 1.00 ATOM 328 CA GLY 124 12.035 -18.099 15.605 1.00 1.00 ATOM 329 CA GLY 125 12.483 -14.377 16.122 1.00 1.00 ATOM 330 CA PHE 126 10.492 -11.158 16.477 1.00 1.00 ATOM 331 CA GLY 127 8.211 -12.194 19.398 1.00 1.00 ATOM 332 CA SER 128 5.914 -9.268 18.557 1.00 1.00 ATOM 333 CA GLY 129 4.068 -7.465 15.772 1.00 1.00 ATOM 334 CA SER 130 4.308 -4.062 14.127 1.00 1.00 ATOM 335 CA ARG 131 1.216 -2.646 12.432 1.00 1.00 ATOM 336 CA PRO 132 0.026 0.933 12.840 1.00 1.00 ATOM 337 CA ALA 133 2.925 2.042 15.026 1.00 1.00 ATOM 338 CA PRO 134 3.228 5.428 16.811 1.00 1.00 ATOM 339 CA ALA 135 6.461 7.322 16.086 1.00 1.00 ATOM 340 CA GLN 136 6.376 11.077 15.442 1.00 1.00 ATOM 341 CA THR 137 8.100 12.000 12.144 1.00 1.00 ATOM 342 CA SER 138 5.702 13.357 9.506 1.00 1.00 ATOM 343 CA SER 139 7.599 15.754 7.268 1.00 1.00 ATOM 344 CA ALA 140 10.658 15.850 5.048 1.00 1.00 TER END ################################ # # # END # # # ################################