From mailer@bialko.llnl.gov Fri Aug 16 06:18:18 2002 Date: Fri, 16 Aug 2002 06:18:12 -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 Aug 16 05:50:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_631105_25747 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190SS007_1 Current information on models submitted in prediction T0190SS007 MODEL_INDEX PIN CODE DATE E-mail T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 MODEL_INDEX PIN CODE DATE E-mail T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 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: 114 # Number of residues with nonzero confidence: 114 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0190 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-25907.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-6732//target-align-6732.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 10.4638 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-25907.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc62.13859/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 Aug 15 18:39:39 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-6732//target-align-6732.a2m METHOD METHOD guide seq name: seed-seqs-25907.a2m(1), 114 bases, F3458B44 checksum. METHOD ###end 0 MODEL 1 A C 0.665 Q C 0.674 Q C 0.651 N C 0.621 I C 0.514 L E 0.421 S E 0.489 V E 0.535 H E 0.563 I E 0.584 L E 0.505 N C 0.425 Q C 0.473 Q C 0.486 T C 0.573 G C 0.731 K C 0.691 P C 0.641 A C 0.597 A C 0.547 D C 0.452 V E 0.484 T E 0.585 V E 0.628 T E 0.617 L E 0.603 E E 0.574 K E 0.504 K E 0.372 A C 0.546 D C 0.625 N C 0.632 G C 0.583 W C 0.408 L E 0.408 Q E 0.454 L E 0.44 N C 0.376 T C 0.43 A C 0.437 K C 0.43 T C 0.527 D C 0.69 K C 0.703 D C 0.699 G C 0.655 R C 0.567 I C 0.469 K C 0.525 A C 0.515 L C 0.48 W C 0.536 P C 0.584 E C 0.463 Q C 0.422 T H 0.408 A C 0.39 T C 0.451 T C 0.505 G C 0.47 D E 0.47 Y E 0.613 R E 0.647 V E 0.664 V E 0.652 F E 0.638 K E 0.52 T C 0.372 G H 0.458 D H 0.549 Y H 0.584 F H 0.591 K H 0.597 K H 0.594 Q H 0.514 N C 0.676 L C 0.652 E C 0.671 S C 0.582 F C 0.446 F C 0.452 P C 0.439 E E 0.389 I E 0.53 P E 0.567 V E 0.65 E E 0.669 F E 0.669 H E 0.607 I E 0.529 N C 0.532 K C 0.635 V C 0.65 N C 0.659 E C 0.585 H E 0.434 Y E 0.608 H E 0.621 V E 0.585 P E 0.545 L E 0.64 L E 0.658 L E 0.591 S C 0.542 Q C 0.616 Y C 0.545 G C 0.494 Y C 0.443 S E 0.441 T E 0.464 Y E 0.433 R E 0.44 G C 0.474 S C 0.617 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:39:30 2002 Date: Thu, 22 Aug 2002 13:39:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0190 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 Aug 22 13:11:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_251944_31433 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190TS007_1 Current information on models submitted in prediction T0190TS007 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_1 PIN_251944_31433 6269-7633-6117 08/22/02 13:11:25 casp5@bialko.llnl.gov T0190TS007_4 PIN_201031_31420 6269-7633-6117 08/22/02 13:06:16 casp5@bialko.llnl.gov T0190TS007_5 PIN_193396_31418 6269-7633-6117 08/22/02 13:05:39 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 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 T0190 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_1 PIN_251944_31433 6269-7633-6117 08/22/02 13:11:25 casp5@bialko.llnl.gov T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_4 PIN_201031_31420 6269-7633-6117 08/22/02 13:06:16 casp5@bialko.llnl.gov T0190TS007_5 PIN_193396_31418 6269-7633-6117 08/22/02 13:05:39 casp5@bialko.llnl.gov T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1TFP_A # Loading PARENT structure: 1tfp (chain: A) # Number of residues in PARENT structure: 114 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue S 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue H 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue P 18 # IMPORTANT NOTE! Not complete main chain atoms for residue A 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue D 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue T 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue W 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue P 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue T 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue F 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue K 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0190 # Total number of residues in target: 114 # Total number of residues in model: 111 # Total number of atoms in model: 111 # Number of atoms with 1.0 occupancy: 111 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 111 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0190 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1TFP_A ATOM 10 CA ASN 4 37.975 -12.152 -3.803 1.00 1.00 ATOM 11 CA ILE 5 36.112 -14.019 -1.045 1.00 1.00 ATOM 12 CA LEU 6 33.107 -14.558 -3.314 1.00 1.00 ATOM 13 CA SER 7 33.650 -15.720 -6.887 1.00 1.00 ATOM 14 CA VAL 8 31.352 -16.914 -9.664 1.00 1.00 ATOM 15 CA HIS 9 32.106 -19.141 -12.661 1.00 1.00 ATOM 16 CA ILE 10 29.255 -19.525 -15.141 1.00 1.00 ATOM 17 CA LEU 11 29.164 -22.056 -18.035 1.00 1.00 ATOM 18 CA ASN 12 26.910 -22.128 -21.096 1.00 1.00 ATOM 19 CA GLN 13 25.773 -25.686 -21.797 1.00 1.00 ATOM 20 CA GLN 14 24.189 -24.806 -25.168 1.00 1.00 ATOM 21 CA THR 15 27.343 -23.108 -26.550 1.00 1.00 ATOM 22 CA GLY 16 29.975 -25.026 -24.590 1.00 1.00 ATOM 23 CA LYS 17 31.837 -22.041 -23.276 1.00 1.00 ATOM 24 CA PRO 18 31.944 -19.651 -20.319 1.00 1.00 ATOM 25 CA ALA 19 28.823 -17.516 -20.177 1.00 1.00 ATOM 26 CA ALA 20 29.480 -13.867 -20.816 1.00 1.00 ATOM 27 CA ASP 21 27.219 -10.975 -19.863 1.00 1.00 ATOM 28 CA VAL 22 24.949 -13.018 -17.582 1.00 1.00 ATOM 29 CA THR 23 23.853 -10.665 -14.810 1.00 1.00 ATOM 30 CA VAL 24 24.701 -11.844 -11.273 1.00 1.00 ATOM 31 CA THR 25 22.992 -10.269 -8.240 1.00 1.00 ATOM 32 CA LEU 26 24.038 -10.886 -4.628 1.00 1.00 ATOM 33 CA GLU 27 21.970 -10.187 -1.515 1.00 1.00 ATOM 34 CA LYS 28 22.448 -10.305 2.233 1.00 1.00 ATOM 35 CA LYS 29 19.634 -11.257 4.585 1.00 1.00 ATOM 37 CA ALA 30 18.267 -9.132 10.664 1.00 1.00 ATOM 38 CA ASP 31 14.844 -7.877 9.531 1.00 1.00 ATOM 39 CA ASN 32 14.507 -11.088 7.510 1.00 1.00 ATOM 40 CA GLY 33 14.712 -8.915 4.426 1.00 1.00 ATOM 41 CA TRP 34 17.104 -9.225 1.466 1.00 1.00 ATOM 42 CA LEU 35 19.314 -6.148 1.193 1.00 1.00 ATOM 43 CA GLN 36 21.083 -5.625 -2.117 1.00 1.00 ATOM 44 CA LEU 37 24.817 -6.483 -1.644 1.00 1.00 ATOM 45 CA ASN 38 26.862 -6.790 -4.847 1.00 1.00 ATOM 46 CA THR 39 26.137 -7.115 -8.563 1.00 1.00 ATOM 47 CA ALA 40 27.972 -7.534 -11.866 1.00 1.00 ATOM 48 CA LYS 41 27.966 -9.227 -15.268 1.00 1.00 ATOM 49 CA THR 42 30.196 -12.166 -16.222 1.00 1.00 ATOM 50 CA ASP 43 33.179 -11.456 -18.439 1.00 1.00 ATOM 51 CA LYS 44 34.215 -13.512 -21.458 1.00 1.00 ATOM 52 CA ASP 45 35.327 -16.177 -18.967 1.00 1.00 ATOM 53 CA GLY 46 32.034 -16.417 -17.103 1.00 1.00 ATOM 54 CA ARG 47 33.676 -14.687 -14.135 1.00 1.00 ATOM 55 CA ILE 48 33.043 -11.425 -12.300 1.00 1.00 ATOM 56 CA LYS 49 36.101 -9.656 -10.906 1.00 1.00 ATOM 57 CA ALA 50 36.050 -7.795 -7.626 1.00 1.00 ATOM 58 CA LEU 51 32.427 -8.471 -6.697 1.00 1.00 ATOM 59 CA TRP 52 33.085 -7.776 -3.017 1.00 1.00 ATOM 60 CA PRO 53 36.079 -7.239 -0.686 1.00 1.00 ATOM 61 CA GLU 54 37.429 -9.531 2.017 1.00 1.00 ATOM 62 CA GLN 55 36.457 -6.833 4.492 1.00 1.00 ATOM 63 CA THR 56 33.038 -6.191 2.984 1.00 1.00 ATOM 64 CA ALA 57 31.982 -9.876 2.806 1.00 1.00 ATOM 65 CA THR 58 31.014 -10.737 6.402 1.00 1.00 ATOM 66 CA THR 59 29.304 -13.644 8.253 1.00 1.00 ATOM 67 CA GLY 60 25.758 -13.720 6.898 1.00 1.00 ATOM 68 CA ASP 61 23.138 -15.406 4.754 1.00 1.00 ATOM 69 CA TYR 62 23.692 -14.576 1.104 1.00 1.00 ATOM 70 CA ARG 63 21.660 -15.087 -2.030 1.00 1.00 ATOM 71 CA VAL 64 23.355 -15.373 -5.408 1.00 1.00 ATOM 72 CA VAL 65 20.856 -14.899 -8.265 1.00 1.00 ATOM 73 CA PHE 66 21.873 -15.792 -11.820 1.00 1.00 ATOM 74 CA LYS 67 19.500 -13.504 -13.723 1.00 1.00 ATOM 75 CA THR 68 19.216 -15.137 -17.112 1.00 1.00 ATOM 76 CA GLY 69 15.713 -14.029 -18.051 1.00 1.00 ATOM 77 CA ASP 70 16.913 -12.898 -21.471 1.00 1.00 ATOM 78 CA TYR 71 20.306 -14.626 -21.701 1.00 1.00 ATOM 79 CA PHE 72 19.005 -16.853 -24.509 1.00 1.00 ATOM 80 CA LYS 73 17.031 -14.132 -26.279 1.00 1.00 ATOM 81 CA LYS 74 19.176 -14.057 -29.428 1.00 1.00 ATOM 82 CA GLN 75 18.901 -17.867 -29.860 1.00 1.00 ATOM 83 CA ASN 76 15.121 -17.911 -29.553 1.00 1.00 ATOM 84 CA LEU 77 15.289 -20.517 -26.809 1.00 1.00 ATOM 85 CA GLU 78 13.602 -19.897 -23.435 1.00 1.00 ATOM 86 CA SER 79 10.099 -18.615 -23.752 1.00 1.00 ATOM 87 CA PHE 80 9.396 -19.396 -20.067 1.00 1.00 ATOM 88 CA PHE 81 12.072 -17.026 -18.838 1.00 1.00 ATOM 89 CA PRO 82 13.958 -19.152 -16.351 1.00 1.00 ATOM 90 CA GLU 83 16.611 -18.223 -13.734 1.00 1.00 ATOM 91 CA ILE 84 17.779 -19.360 -10.285 1.00 1.00 ATOM 92 CA PRO 85 19.036 -18.492 -6.778 1.00 1.00 ATOM 93 CA VAL 86 21.403 -20.147 -4.325 1.00 1.00 ATOM 94 CA GLU 87 21.170 -19.291 -0.673 1.00 1.00 ATOM 95 CA PHE 88 24.073 -20.313 1.526 1.00 1.00 ATOM 96 CA HIS 89 25.303 -19.176 4.984 1.00 1.00 ATOM 97 CA ILE 90 28.677 -17.412 4.513 1.00 1.00 ATOM 98 CA ASN 91 31.258 -17.561 7.337 1.00 1.00 ATOM 99 CA LYS 92 29.404 -19.109 10.283 1.00 1.00 ATOM 100 CA VAL 93 32.828 -20.563 11.170 1.00 1.00 ATOM 102 CA ASN 94 36.529 -16.584 7.266 1.00 1.00 ATOM 103 CA GLU 95 36.448 -18.383 3.922 1.00 1.00 ATOM 104 CA HIS 96 36.246 -18.201 0.149 1.00 1.00 ATOM 105 CA TYR 97 33.300 -19.326 -1.959 1.00 1.00 ATOM 106 CA HIS 98 32.941 -20.115 -5.622 1.00 1.00 ATOM 107 CA VAL 99 29.383 -20.471 -6.909 1.00 1.00 ATOM 108 CA PRO 100 29.836 -22.444 -10.126 1.00 1.00 ATOM 109 CA LEU 101 26.717 -22.402 -12.331 1.00 1.00 ATOM 110 CA LEU 102 25.800 -24.246 -15.587 1.00 1.00 ATOM 111 CA LEU 103 23.118 -22.734 -17.793 1.00 1.00 ATOM 112 CA SER 104 20.653 -24.283 -20.277 1.00 1.00 ATOM 113 CA GLN 105 17.285 -22.856 -21.486 1.00 1.00 ATOM 114 CA TYR 106 15.395 -25.120 -19.050 1.00 1.00 ATOM 115 CA GLY 107 17.908 -26.371 -16.487 1.00 1.00 ATOM 116 CA TYR 108 20.144 -24.768 -13.833 1.00 1.00 ATOM 117 CA SER 109 23.017 -26.226 -11.850 1.00 1.00 ATOM 118 CA THR 110 24.796 -24.367 -9.112 1.00 1.00 ATOM 119 CA TYR 111 27.614 -25.874 -7.095 1.00 1.00 ATOM 120 CA ARG 112 29.272 -24.134 -4.206 1.00 1.00 ATOM 121 CA GLY 113 32.979 -24.875 -3.785 1.00 1.00 ATOM 122 CA SER 114 33.854 -23.750 -0.276 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:30:09 2002 Date: Thu, 22 Aug 2002 13:30:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0190 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 Aug 22 13:01:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_154418_31406 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190TS007_2 Current information on models submitted in prediction T0190TS007 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 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 T0190 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 casp5@bialko.llnl.gov T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1TTB_A # Loading PARENT structure: 1ttb (chain: A) # Number of residues in PARENT structure: 127 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 2 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue S 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue H 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue P 18 # IMPORTANT NOTE! Not complete main chain atoms for residue A 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue D 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue T 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue W 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue P 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue T 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue F 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue K 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0190 # Total number of residues in target: 114 # Total number of residues in model: 114 # Total number of atoms in model: 114 # Number of atoms with 1.0 occupancy: 114 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 114 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0190 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1TTB_A ATOM 7 CA ALA 1 17.787 27.580 24.655 1.00 1.00 ATOM 8 CA GLN 2 14.269 28.534 23.669 1.00 1.00 ATOM 9 CA GLN 3 13.531 32.197 24.055 1.00 1.00 ATOM 10 CA ASN 4 16.102 31.789 26.740 1.00 1.00 ATOM 11 CA ILE 5 13.914 30.666 29.576 1.00 1.00 ATOM 12 CA LEU 6 16.677 30.421 32.189 1.00 1.00 ATOM 13 CA SER 7 19.540 32.932 32.424 1.00 1.00 ATOM 14 CA VAL 8 22.051 33.207 35.303 1.00 1.00 ATOM 15 CA HIS 9 24.098 36.384 35.916 1.00 1.00 ATOM 16 CA ILE 10 26.799 36.600 38.613 1.00 1.00 ATOM 17 CA LEU 11 28.561 39.794 39.761 1.00 1.00 ATOM 18 CA ASN 12 31.595 40.441 42.003 1.00 1.00 ATOM 19 CA GLN 13 31.152 43.160 44.682 1.00 1.00 ATOM 20 CA GLN 14 34.842 43.157 45.630 1.00 1.00 ATOM 21 CA THR 15 36.189 43.919 42.121 1.00 1.00 ATOM 22 CA GLY 16 33.171 45.679 40.605 1.00 1.00 ATOM 23 CA LYS 17 33.042 43.302 37.628 1.00 1.00 ATOM 24 CA PRO 18 31.273 40.266 36.238 1.00 1.00 ATOM 25 CA ALA 19 32.147 36.972 37.986 1.00 1.00 ATOM 26 CA ALA 20 33.776 35.003 35.164 1.00 1.00 ATOM 27 CA ASP 21 34.169 31.239 34.837 1.00 1.00 ATOM 28 CA VAL 22 31.849 30.514 37.757 1.00 1.00 ATOM 29 CA THR 23 30.552 26.942 37.698 1.00 1.00 ATOM 30 CA VAL 24 26.767 26.609 37.763 1.00 1.00 ATOM 31 CA THR 25 24.800 23.380 38.228 1.00 1.00 ATOM 32 CA LEU 26 21.008 23.140 37.811 1.00 1.00 ATOM 33 CA GLU 27 18.885 20.290 39.229 1.00 1.00 ATOM 34 CA LYS 28 15.179 19.427 38.939 1.00 1.00 ATOM 35 CA LYS 29 13.240 17.683 41.723 1.00 1.00 ATOM 37 CA ALA 30 9.219 12.159 41.071 1.00 1.00 ATOM 38 CA ASP 31 11.049 10.402 43.915 1.00 1.00 ATOM 39 CA ASN 32 11.904 13.665 45.740 1.00 1.00 ATOM 40 CA GLY 33 15.577 13.492 44.662 1.00 1.00 ATOM 41 CA TRP 34 17.620 16.137 42.806 1.00 1.00 ATOM 42 CA LEU 35 18.251 15.141 39.182 1.00 1.00 ATOM 43 CA GLN 36 20.965 16.824 37.087 1.00 1.00 ATOM 44 CA LEU 37 19.306 19.174 34.572 1.00 1.00 ATOM 45 CA ASN 38 21.975 21.433 33.055 1.00 1.00 ATOM 46 CA THR 39 25.396 22.909 33.850 1.00 1.00 ATOM 47 CA ALA 40 27.845 25.517 32.551 1.00 1.00 ATOM 48 CA LYS 41 30.258 28.312 33.426 1.00 1.00 ATOM 49 CA THR 42 29.656 32.063 33.325 1.00 1.00 ATOM 50 CA ASP 43 31.080 33.971 30.359 1.00 1.00 ATOM 51 CA LYS 44 33.286 37.064 30.308 1.00 1.00 ATOM 52 CA ASP 45 30.114 39.086 30.882 1.00 1.00 ATOM 53 CA GLY 46 29.239 36.982 33.965 1.00 1.00 ATOM 54 CA ARG 47 26.238 35.420 32.166 1.00 1.00 ATOM 55 CA ILE 48 25.197 31.882 31.458 1.00 1.00 ATOM 56 CA LYS 49 22.677 31.302 28.666 1.00 1.00 ATOM 57 CA ALA 50 21.588 28.268 26.683 1.00 1.00 ATOM 58 CA LEU 51 21.051 26.039 29.716 1.00 1.00 ATOM 59 CA TRP 52 17.685 24.771 28.442 1.00 1.00 ATOM 60 CA PRO 53 14.799 25.252 26.016 1.00 1.00 ATOM 61 CA GLU 54 11.151 26.127 26.509 1.00 1.00 ATOM 62 CA GLN 55 10.273 22.553 25.538 1.00 1.00 ATOM 63 CA THR 56 12.532 20.930 28.111 1.00 1.00 ATOM 64 CA ALA 57 11.860 23.409 30.961 1.00 1.00 ATOM 65 CA THR 58 8.622 21.935 32.229 1.00 1.00 ATOM 66 CA THR 59 6.853 22.791 35.482 1.00 1.00 ATOM 67 CA GLY 60 8.869 21.683 38.525 1.00 1.00 ATOM 68 CA ASP 61 11.124 22.672 41.404 1.00 1.00 ATOM 69 CA TYR 62 14.604 23.657 40.265 1.00 1.00 ATOM 70 CA ARG 63 17.804 24.281 42.180 1.00 1.00 ATOM 71 CA VAL 64 20.492 26.552 40.765 1.00 1.00 ATOM 72 CA VAL 65 23.797 25.852 42.532 1.00 1.00 ATOM 73 CA PHE 66 26.592 28.441 42.144 1.00 1.00 ATOM 74 CA LYS 67 30.139 27.369 43.009 1.00 1.00 ATOM 75 CA THR 68 31.165 30.512 44.881 1.00 1.00 ATOM 76 CA GLY 69 33.815 28.787 46.993 1.00 1.00 ATOM 77 CA ASP 70 35.988 27.850 43.970 1.00 1.00 ATOM 78 CA TYR 71 35.578 31.381 42.624 1.00 1.00 ATOM 79 CA PHE 72 36.942 33.077 45.785 1.00 1.00 ATOM 80 CA LYS 73 39.721 30.542 46.413 1.00 1.00 ATOM 81 CA LYS 74 41.070 31.186 42.884 1.00 1.00 ATOM 82 CA GLN 75 41.282 34.872 43.860 1.00 1.00 ATOM 83 CA ASN 76 43.161 34.034 47.067 1.00 1.00 ATOM 84 CA LEU 77 40.247 34.556 49.465 1.00 1.00 ATOM 85 CA GLU 78 38.829 31.945 51.868 1.00 1.00 ATOM 86 CA SER 79 35.082 32.619 51.759 1.00 1.00 ATOM 87 CA PHE 80 32.327 31.748 54.246 1.00 1.00 ATOM 88 CA PHE 81 29.855 29.823 52.097 1.00 1.00 ATOM 89 CA PRO 82 30.330 26.488 50.361 1.00 1.00 ATOM 90 CA GLU 83 28.117 27.679 47.472 1.00 1.00 ATOM 91 CA ILE 84 24.969 29.758 46.843 1.00 1.00 ATOM 92 CA PRO 85 21.793 27.776 46.063 1.00 1.00 ATOM 93 CA VAL 86 18.531 29.169 44.721 1.00 1.00 ATOM 94 CA GLU 87 15.439 26.909 44.895 1.00 1.00 ATOM 95 CA PHE 88 12.194 27.797 43.108 1.00 1.00 ATOM 96 CA HIS 89 9.082 26.446 41.507 1.00 1.00 ATOM 97 CA ILE 90 9.113 27.239 37.775 1.00 1.00 ATOM 98 CA ASN 91 6.359 27.487 35.187 1.00 1.00 ATOM 99 CA LYS 92 3.401 26.444 37.366 1.00 1.00 ATOM 100 CA VAL 93 1.044 28.902 35.620 1.00 1.00 ATOM 102 CA ASN 94 5.972 29.226 30.661 1.00 1.00 ATOM 103 CA GLU 95 7.946 32.206 31.925 1.00 1.00 ATOM 104 CA HIS 96 11.483 33.516 31.401 1.00 1.00 ATOM 105 CA TYR 97 13.673 33.548 34.535 1.00 1.00 ATOM 106 CA HIS 98 16.788 35.638 35.200 1.00 1.00 ATOM 107 CA VAL 99 18.613 34.674 38.444 1.00 1.00 ATOM 108 CA PRO 100 21.103 37.492 39.340 1.00 1.00 ATOM 109 CA LEU 101 23.505 37.009 42.262 1.00 1.00 ATOM 110 CA LEU 102 25.961 39.544 43.744 1.00 1.00 ATOM 111 CA LEU 103 28.972 37.968 45.496 1.00 1.00 ATOM 112 CA SER 104 31.076 39.019 48.492 1.00 1.00 ATOM 113 CA GLN 105 33.405 36.685 50.460 1.00 1.00 ATOM 114 CA TYR 106 31.049 36.651 53.500 1.00 1.00 ATOM 115 CA GLY 107 27.749 37.627 51.849 1.00 1.00 ATOM 116 CA TYR 108 25.611 37.208 48.764 1.00 1.00 ATOM 117 CA SER 109 22.353 38.688 47.490 1.00 1.00 ATOM 118 CA THR 110 20.189 36.868 44.945 1.00 1.00 ATOM 119 CA TYR 111 17.176 38.214 43.070 1.00 1.00 ATOM 120 CA ARG 112 14.879 36.832 40.354 1.00 1.00 ATOM 121 CA GLY 113 13.427 38.738 37.392 1.00 1.00 ATOM 122 CA SER 114 10.434 36.893 35.925 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:33:19 2002 Date: Thu, 22 Aug 2002 13:33:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0190 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 Aug 22 13:05:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_189527_31416 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190TS007_3 Current information on models submitted in prediction T0190TS007 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 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 T0190 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1TFP_B # Loading PARENT structure: 1tfp (chain: B) # Number of residues in PARENT structure: 114 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue S 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue H 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue P 18 # IMPORTANT NOTE! Not complete main chain atoms for residue A 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue D 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue T 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue W 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue P 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue T 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue F 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue K 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0190 # Total number of residues in target: 114 # Total number of residues in model: 111 # Total number of atoms in model: 111 # Number of atoms with 1.0 occupancy: 111 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 111 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0190 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1TFP_B ATOM 10 CA ASN 4 -1.894 -31.207 -10.874 1.00 1.00 ATOM 11 CA ILE 5 -0.607 -28.331 -13.045 1.00 1.00 ATOM 12 CA LEU 6 2.526 -27.848 -10.921 1.00 1.00 ATOM 13 CA SER 7 4.443 -31.018 -9.937 1.00 1.00 ATOM 14 CA VAL 8 7.751 -31.519 -8.171 1.00 1.00 ATOM 15 CA HIS 9 10.114 -34.508 -8.334 1.00 1.00 ATOM 16 CA ILE 10 13.051 -34.385 -5.905 1.00 1.00 ATOM 17 CA LEU 11 16.011 -36.775 -6.139 1.00 1.00 ATOM 18 CA ASN 12 18.771 -37.477 -3.575 1.00 1.00 ATOM 19 CA GLN 13 22.129 -37.769 -5.352 1.00 1.00 ATOM 20 CA GLN 14 24.038 -38.963 -2.253 1.00 1.00 ATOM 21 CA THR 15 21.531 -41.722 -1.322 1.00 1.00 ATOM 22 CA GLY 16 20.332 -42.447 -4.833 1.00 1.00 ATOM 23 CA LYS 17 16.606 -42.367 -4.258 1.00 1.00 ATOM 24 CA PRO 18 13.684 -39.913 -4.279 1.00 1.00 ATOM 25 CA ALA 19 14.051 -37.275 -1.563 1.00 1.00 ATOM 26 CA ALA 20 11.524 -37.485 1.196 1.00 1.00 ATOM 27 CA ASP 21 10.469 -34.744 3.504 1.00 1.00 ATOM 28 CA VAL 22 12.266 -31.926 1.711 1.00 1.00 ATOM 29 CA THR 23 10.269 -28.762 2.136 1.00 1.00 ATOM 30 CA VAL 24 8.957 -27.081 -1.010 1.00 1.00 ATOM 31 CA THR 25 7.583 -23.530 -0.925 1.00 1.00 ATOM 32 CA LEU 26 5.891 -21.906 -3.945 1.00 1.00 ATOM 33 CA GLU 27 5.477 -18.134 -4.424 1.00 1.00 ATOM 34 CA LYS 28 3.618 -15.922 -6.880 1.00 1.00 ATOM 35 CA LYS 29 4.943 -12.489 -7.816 1.00 1.00 ATOM 37 CA ALA 30 1.853 -6.908 -9.338 1.00 1.00 ATOM 38 CA ASP 31 3.516 -5.083 -6.425 1.00 1.00 ATOM 39 CA ASN 32 6.687 -6.914 -7.440 1.00 1.00 ATOM 40 CA GLY 33 6.436 -8.750 -4.144 1.00 1.00 ATOM 41 CA TRP 34 6.393 -12.527 -3.656 1.00 1.00 ATOM 42 CA LEU 35 3.122 -13.661 -2.149 1.00 1.00 ATOM 43 CA GLN 36 3.136 -17.107 -0.537 1.00 1.00 ATOM 44 CA LEU 37 1.243 -19.490 -2.851 1.00 1.00 ATOM 45 CA ASN 38 1.486 -23.178 -1.994 1.00 1.00 ATOM 46 CA THR 39 3.698 -25.435 0.149 1.00 1.00 ATOM 47 CA ALA 40 4.277 -29.053 1.137 1.00 1.00 ATOM 48 CA LYS 41 6.971 -31.655 1.864 1.00 1.00 ATOM 49 CA THR 42 8.007 -34.407 -0.523 1.00 1.00 ATOM 50 CA ASP 43 6.688 -37.935 0.005 1.00 1.00 ATOM 51 CA LYS 44 8.711 -41.165 -0.109 1.00 1.00 ATOM 52 CA ASP 45 8.748 -40.689 -3.880 1.00 1.00 ATOM 53 CA GLY 46 10.084 -37.178 -3.803 1.00 1.00 ATOM 54 CA ARG 47 6.711 -35.932 -4.907 1.00 1.00 ATOM 55 CA ILE 48 4.105 -33.606 -3.413 1.00 1.00 ATOM 56 CA LYS 49 0.472 -34.377 -4.156 1.00 1.00 ATOM 57 CA ALA 50 -2.131 -31.703 -4.764 1.00 1.00 ATOM 58 CA LEU 51 0.045 -28.647 -4.284 1.00 1.00 ATOM 59 CA TRP 52 -2.376 -26.468 -6.215 1.00 1.00 ATOM 60 CA PRO 53 -5.420 -26.897 -8.502 1.00 1.00 ATOM 61 CA GLU 54 -5.795 -26.296 -12.240 1.00 1.00 ATOM 62 CA GLN 55 -8.028 -23.353 -11.378 1.00 1.00 ATOM 63 CA THR 56 -5.793 -21.945 -8.667 1.00 1.00 ATOM 64 CA ALA 57 -2.577 -22.003 -10.758 1.00 1.00 ATOM 65 CA THR 58 -3.012 -19.016 -13.069 1.00 1.00 ATOM 66 CA THR 59 -0.853 -17.037 -15.506 1.00 1.00 ATOM 67 CA GLY 60 1.988 -15.544 -13.481 1.00 1.00 ATOM 68 CA ASP 61 5.595 -15.545 -12.314 1.00 1.00 ATOM 69 CA TYR 62 6.272 -18.328 -9.823 1.00 1.00 ATOM 70 CA ARG 63 9.211 -19.117 -7.596 1.00 1.00 ATOM 71 CA VAL 64 9.684 -22.674 -6.344 1.00 1.00 ATOM 72 CA VAL 65 12.002 -23.019 -3.375 1.00 1.00 ATOM 73 CA PHE 66 13.357 -26.408 -2.325 1.00 1.00 ATOM 74 CA LYS 67 14.691 -26.462 1.253 1.00 1.00 ATOM 75 CA THR 68 16.232 -29.057 3.556 1.00 1.00 ATOM 76 CA GLY 69 16.803 -29.536 7.296 1.00 1.00 ATOM 77 CA ASP 70 19.856 -31.590 8.292 1.00 1.00 ATOM 78 CA TYR 71 18.713 -33.739 5.381 1.00 1.00 ATOM 79 CA PHE 72 22.214 -35.206 5.197 1.00 1.00 ATOM 80 CA LYS 73 22.573 -35.771 8.933 1.00 1.00 ATOM 81 CA LYS 74 23.209 -39.464 9.278 1.00 1.00 ATOM 82 CA GLN 75 26.017 -39.956 6.810 1.00 1.00 ATOM 83 CA ASN 76 28.402 -37.844 8.848 1.00 1.00 ATOM 84 CA LEU 77 29.034 -35.388 6.054 1.00 1.00 ATOM 85 CA GLU 78 29.494 -31.657 6.424 1.00 1.00 ATOM 86 CA SER 79 26.785 -29.072 6.914 1.00 1.00 ATOM 87 CA PHE 80 26.298 -26.281 4.421 1.00 1.00 ATOM 88 CA PHE 81 23.059 -24.280 4.660 1.00 1.00 ATOM 89 CA PRO 82 22.268 -24.102 1.029 1.00 1.00 ATOM 90 CA GLU 83 18.790 -23.862 -0.558 1.00 1.00 ATOM 91 CA ILE 84 17.751 -22.976 -4.091 1.00 1.00 ATOM 92 CA PRO 85 15.043 -21.276 -6.047 1.00 1.00 ATOM 93 CA VAL 86 13.776 -21.512 -9.602 1.00 1.00 ATOM 94 CA GLU 87 11.726 -18.711 -11.074 1.00 1.00 ATOM 95 CA PHE 88 9.880 -19.331 -14.287 1.00 1.00 ATOM 96 CA HIS 89 6.918 -17.595 -15.911 1.00 1.00 ATOM 97 CA ILE 90 3.809 -19.751 -16.129 1.00 1.00 ATOM 98 CA ASN 91 1.324 -19.988 -19.019 1.00 1.00 ATOM 99 CA LYS 92 2.408 -16.924 -21.039 1.00 1.00 ATOM 100 CA VAL 93 0.245 -18.502 -23.786 1.00 1.00 ATOM 101 CA ASN 94 -2.567 -20.947 -23.022 1.00 1.00 ATOM 103 CA GLU 95 0.194 -26.097 -19.305 1.00 1.00 ATOM 104 CA HIS 96 1.643 -28.558 -16.773 1.00 1.00 ATOM 105 CA TYR 97 5.032 -27.953 -15.198 1.00 1.00 ATOM 106 CA HIS 98 7.335 -30.449 -13.508 1.00 1.00 ATOM 107 CA VAL 99 10.190 -28.948 -11.543 1.00 1.00 ATOM 108 CA PRO 100 12.631 -31.828 -11.101 1.00 1.00 ATOM 109 CA LEU 101 15.379 -31.162 -8.544 1.00 1.00 ATOM 110 CA LEU 102 18.518 -33.130 -7.674 1.00 1.00 ATOM 111 CA LEU 103 20.067 -32.588 -4.232 1.00 1.00 ATOM 112 CA SER 104 23.663 -32.919 -2.974 1.00 1.00 ATOM 113 CA GLN 105 25.250 -31.218 0.085 1.00 1.00 ATOM 114 CA TYR 106 26.880 -28.517 -2.044 1.00 1.00 ATOM 115 CA GLY 107 25.087 -28.737 -5.420 1.00 1.00 ATOM 116 CA TYR 108 21.548 -28.145 -6.784 1.00 1.00 ATOM 117 CA SER 109 20.107 -29.042 -10.183 1.00 1.00 ATOM 118 CA THR 110 16.620 -27.977 -11.133 1.00 1.00 ATOM 119 CA TYR 111 15.061 -28.887 -14.462 1.00 1.00 ATOM 120 CA ARG 112 11.656 -27.638 -15.661 1.00 1.00 ATOM 121 CA GLY 113 9.795 -29.947 -17.983 1.00 1.00 ATOM 122 CA SER 114 6.982 -27.996 -19.525 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:34:19 2002 Date: Thu, 22 Aug 2002 13:34:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0190 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 Aug 22 13:06:16 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_201031_31420 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190TS007_4 Current information on models submitted in prediction T0190TS007 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_4 PIN_201031_31420 6269-7633-6117 08/22/02 13:06:16 casp5@bialko.llnl.gov T0190TS007_5 PIN_193396_31418 6269-7633-6117 08/22/02 13:05:39 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 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 T0190 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_4 PIN_201031_31420 6269-7633-6117 08/22/02 13:06:16 casp5@bialko.llnl.gov T0190TS007_5 PIN_193396_31418 6269-7633-6117 08/22/02 13:05:39 casp5@bialko.llnl.gov T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1F41_A # Loading PARENT structure: 1f41 (chain: A) # Number of residues in PARENT structure: 116 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue S 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue H 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue P 18 # IMPORTANT NOTE! Not complete main chain atoms for residue A 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue D 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue T 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue W 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue P 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue T 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue F 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue K 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0190 # Total number of residues in target: 114 # Total number of residues in model: 111 # Total number of atoms in model: 111 # Number of atoms with 1.0 occupancy: 111 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 111 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0190 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1F41_A ATOM 10 CA ASN 4 16.008 31.015 25.693 1.00 1.00 ATOM 11 CA ILE 5 13.450 30.118 28.312 1.00 1.00 ATOM 12 CA LEU 6 16.308 30.082 30.853 1.00 1.00 ATOM 13 CA SER 7 19.285 32.417 31.165 1.00 1.00 ATOM 14 CA VAL 8 21.740 32.878 34.037 1.00 1.00 ATOM 15 CA HIS 9 23.702 36.121 34.599 1.00 1.00 ATOM 16 CA ILE 10 26.422 36.404 37.219 1.00 1.00 ATOM 17 CA LEU 11 28.208 39.544 38.406 1.00 1.00 ATOM 18 CA ASN 12 31.252 40.032 40.638 1.00 1.00 ATOM 19 CA GLN 13 30.693 42.737 43.270 1.00 1.00 ATOM 20 CA GLN 14 34.365 42.930 44.218 1.00 1.00 ATOM 21 CA THR 15 35.651 43.653 40.704 1.00 1.00 ATOM 22 CA GLY 16 32.568 45.373 39.240 1.00 1.00 ATOM 23 CA LYS 17 32.533 42.984 36.312 1.00 1.00 ATOM 24 CA PRO 18 30.783 39.984 34.882 1.00 1.00 ATOM 25 CA ALA 19 31.739 36.775 36.698 1.00 1.00 ATOM 26 CA ALA 20 33.363 34.791 33.882 1.00 1.00 ATOM 27 CA ASP 21 33.746 31.021 33.607 1.00 1.00 ATOM 28 CA VAL 22 31.409 30.276 36.463 1.00 1.00 ATOM 29 CA THR 23 30.061 26.741 36.353 1.00 1.00 ATOM 30 CA VAL 24 26.304 26.378 36.558 1.00 1.00 ATOM 31 CA THR 25 24.366 23.139 37.041 1.00 1.00 ATOM 32 CA LEU 26 20.611 22.917 36.619 1.00 1.00 ATOM 33 CA GLU 27 18.518 20.130 38.130 1.00 1.00 ATOM 34 CA LYS 28 14.847 19.231 37.955 1.00 1.00 ATOM 35 CA LYS 29 12.903 17.442 40.670 1.00 1.00 ATOM 37 CA ALA 30 8.652 12.133 40.248 1.00 1.00 ATOM 38 CA ASP 31 10.433 10.284 43.053 1.00 1.00 ATOM 39 CA ASN 32 11.462 13.630 44.563 1.00 1.00 ATOM 40 CA GLY 33 15.153 13.308 43.698 1.00 1.00 ATOM 41 CA TRP 34 17.140 15.963 41.850 1.00 1.00 ATOM 42 CA LEU 35 17.836 14.918 38.254 1.00 1.00 ATOM 43 CA GLN 36 20.522 16.621 36.164 1.00 1.00 ATOM 44 CA LEU 37 18.811 18.909 33.641 1.00 1.00 ATOM 45 CA ASN 38 21.477 21.097 32.029 1.00 1.00 ATOM 46 CA THR 39 24.838 22.704 32.753 1.00 1.00 ATOM 47 CA ALA 40 27.267 25.243 31.335 1.00 1.00 ATOM 48 CA LYS 41 29.666 28.056 32.170 1.00 1.00 ATOM 49 CA THR 42 29.220 31.808 32.055 1.00 1.00 ATOM 50 CA ASP 43 30.773 33.643 29.123 1.00 1.00 ATOM 51 CA LYS 44 32.886 36.804 29.049 1.00 1.00 ATOM 52 CA ASP 45 29.655 38.743 29.576 1.00 1.00 ATOM 53 CA GLY 46 28.835 36.727 32.725 1.00 1.00 ATOM 54 CA ARG 47 25.908 35.142 30.905 1.00 1.00 ATOM 55 CA ILE 48 24.923 31.574 30.199 1.00 1.00 ATOM 56 CA LYS 49 22.510 30.991 27.356 1.00 1.00 ATOM 57 CA ALA 50 21.312 27.836 25.620 1.00 1.00 ATOM 58 CA LEU 51 20.778 25.695 28.716 1.00 1.00 ATOM 59 CA TRP 52 17.431 24.438 27.450 1.00 1.00 ATOM 60 CA PRO 53 14.633 24.768 24.923 1.00 1.00 ATOM 61 CA GLU 54 10.963 25.649 25.212 1.00 1.00 ATOM 62 CA GLN 55 10.071 21.999 24.568 1.00 1.00 ATOM 63 CA THR 56 12.345 20.544 27.222 1.00 1.00 ATOM 64 CA ALA 57 11.705 23.177 29.894 1.00 1.00 ATOM 65 CA THR 58 8.463 21.750 31.152 1.00 1.00 ATOM 66 CA THR 59 6.642 22.510 34.394 1.00 1.00 ATOM 67 CA GLY 60 8.633 21.475 37.434 1.00 1.00 ATOM 68 CA ASP 61 10.744 22.469 40.395 1.00 1.00 ATOM 69 CA TYR 62 14.204 23.457 39.227 1.00 1.00 ATOM 70 CA ARG 63 17.442 24.108 41.057 1.00 1.00 ATOM 71 CA VAL 64 20.145 26.325 39.576 1.00 1.00 ATOM 72 CA VAL 65 23.454 25.671 41.312 1.00 1.00 ATOM 73 CA PHE 66 26.076 28.363 40.688 1.00 1.00 ATOM 74 CA LYS 67 29.579 27.220 41.680 1.00 1.00 ATOM 75 CA THR 68 30.701 30.356 43.404 1.00 1.00 ATOM 76 CA GLY 69 33.344 28.780 45.643 1.00 1.00 ATOM 77 CA ASP 70 35.500 27.703 42.729 1.00 1.00 ATOM 78 CA TYR 71 35.133 31.149 41.192 1.00 1.00 ATOM 79 CA PHE 72 36.413 32.925 44.311 1.00 1.00 ATOM 80 CA LYS 73 39.183 30.455 44.998 1.00 1.00 ATOM 81 CA LYS 74 40.636 31.026 41.524 1.00 1.00 ATOM 82 CA GLN 75 40.788 34.748 42.320 1.00 1.00 ATOM 83 CA ASN 76 42.661 34.053 45.572 1.00 1.00 ATOM 84 CA LEU 77 39.693 34.408 47.916 1.00 1.00 ATOM 85 CA GLU 78 38.380 31.805 50.351 1.00 1.00 ATOM 86 CA SER 79 34.662 32.536 50.338 1.00 1.00 ATOM 87 CA PHE 80 31.930 31.549 52.692 1.00 1.00 ATOM 88 CA PHE 81 29.473 29.668 50.522 1.00 1.00 ATOM 89 CA PRO 82 29.905 26.379 48.686 1.00 1.00 ATOM 90 CA GLU 83 27.620 27.609 45.914 1.00 1.00 ATOM 91 CA ILE 84 24.567 29.777 45.362 1.00 1.00 ATOM 92 CA PRO 85 21.442 27.613 44.958 1.00 1.00 ATOM 93 CA VAL 86 18.291 28.988 43.334 1.00 1.00 ATOM 94 CA GLU 87 15.217 26.756 43.654 1.00 1.00 ATOM 95 CA PHE 88 11.918 27.601 42.011 1.00 1.00 ATOM 96 CA HIS 89 8.797 26.278 40.336 1.00 1.00 ATOM 97 CA ILE 90 8.800 27.060 36.622 1.00 1.00 ATOM 98 CA ASN 91 6.119 27.211 33.937 1.00 1.00 ATOM 99 CA LYS 92 3.234 26.256 36.207 1.00 1.00 ATOM 100 CA VAL 93 1.058 28.941 34.601 1.00 1.00 ATOM 102 CA ASN 94 5.714 28.968 29.497 1.00 1.00 ATOM 103 CA GLU 95 7.754 31.876 30.783 1.00 1.00 ATOM 104 CA HIS 96 11.244 33.225 30.154 1.00 1.00 ATOM 105 CA TYR 97 13.416 33.242 33.260 1.00 1.00 ATOM 106 CA HIS 98 16.597 35.176 33.913 1.00 1.00 ATOM 107 CA VAL 99 18.318 34.112 37.109 1.00 1.00 ATOM 108 CA PRO 100 20.765 36.813 38.139 1.00 1.00 ATOM 109 CA LEU 101 23.354 36.468 40.878 1.00 1.00 ATOM 110 CA LEU 102 25.554 39.132 42.452 1.00 1.00 ATOM 111 CA LEU 103 28.580 37.626 44.183 1.00 1.00 ATOM 112 CA SER 104 30.731 38.765 47.079 1.00 1.00 ATOM 113 CA GLN 105 33.010 36.505 49.121 1.00 1.00 ATOM 114 CA TYR 106 30.663 36.334 52.124 1.00 1.00 ATOM 115 CA GLY 107 27.382 37.294 50.515 1.00 1.00 ATOM 116 CA TYR 108 25.341 36.763 47.432 1.00 1.00 ATOM 117 CA SER 109 22.032 38.019 46.119 1.00 1.00 ATOM 118 CA THR 110 19.882 36.356 43.508 1.00 1.00 ATOM 119 CA TYR 111 17.054 37.809 41.556 1.00 1.00 ATOM 120 CA ARG 112 14.647 36.392 39.042 1.00 1.00 ATOM 121 CA GLY 113 13.322 38.356 36.087 1.00 1.00 ATOM 122 CA SER 114 10.328 36.527 34.616 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 13:33:39 2002 Date: Thu, 22 Aug 2002 13:33:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0190 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 Aug 22 13:05:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_193396_31418 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190TS007_5 Current information on models submitted in prediction T0190TS007 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_5 PIN_193396_31418 6269-7633-6117 08/22/02 13:05:39 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 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 T0190 MODEL_INDEX PIN CODE DATE E-mail T0190TS007_2 PIN_154418_31406 6269-7633-6117 08/22/02 13:01:48 casp5@bialko.llnl.gov T0190TS007_3 PIN_189527_31416 6269-7633-6117 08/22/02 13:05:01 casp5@bialko.llnl.gov T0190TS007_5 PIN_193396_31418 6269-7633-6117 08/22/02 13:05:39 casp5@bialko.llnl.gov T0190SS007_1 PIN_631105_25747 6269-7633-6117 08/16/02 05:50:14 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 T0190 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1ETB_1 # Loading PARENT structure: 1etb (chain: 1) # Number of residues in PARENT structure: 118 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 N 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue S 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue H 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue N 12 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue T 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue P 18 # IMPORTANT NOTE! Not complete main chain atoms for residue A 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue D 21 # IMPORTANT NOTE! Not complete main chain atoms for residue V 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue T 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue W 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue L 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue K 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue I 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue A 50 # IMPORTANT NOTE! Not complete main chain atoms for residue L 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue P 53 # IMPORTANT NOTE! Not complete main chain atoms for residue E 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue T 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue D 61 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 62 # IMPORTANT NOTE! Not complete main chain atoms for residue R 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue F 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue K 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 75 # IMPORTANT NOTE! Not complete main chain atoms for residue N 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue F 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue P 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue P 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue E 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue I 90 # IMPORTANT NOTE! Not complete main chain atoms for residue N 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue N 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue L 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue S 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue G 113 # IMPORTANT NOTE! Not complete main chain atoms for residue S 114 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0190 # Total number of residues in target: 114 # Total number of residues in model: 112 # Total number of atoms in model: 112 # Number of atoms with 1.0 occupancy: 112 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 112 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0190 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1ETB_1 ATOM 9 CA GLN 3 13.779 32.583 23.554 1.00 1.00 ATOM 10 CA ASN 4 15.990 31.790 26.552 1.00 1.00 ATOM 11 CA ILE 5 13.897 30.686 29.519 1.00 1.00 ATOM 12 CA LEU 6 16.638 30.439 32.156 1.00 1.00 ATOM 13 CA SER 7 19.501 32.892 32.427 1.00 1.00 ATOM 14 CA VAL 8 22.083 33.238 35.246 1.00 1.00 ATOM 15 CA HIS 9 24.112 36.422 35.936 1.00 1.00 ATOM 16 CA ILE 10 26.795 36.640 38.616 1.00 1.00 ATOM 17 CA LEU 11 28.675 39.797 39.686 1.00 1.00 ATOM 18 CA ASN 12 31.664 40.375 41.998 1.00 1.00 ATOM 19 CA GLN 13 31.177 43.058 44.689 1.00 1.00 ATOM 20 CA GLN 14 34.898 43.133 45.639 1.00 1.00 ATOM 21 CA THR 15 36.261 43.870 42.139 1.00 1.00 ATOM 22 CA GLY 16 33.199 45.591 40.636 1.00 1.00 ATOM 23 CA LYS 17 33.028 43.240 37.660 1.00 1.00 ATOM 24 CA PRO 18 31.291 40.187 36.234 1.00 1.00 ATOM 25 CA ALA 19 32.238 36.932 37.985 1.00 1.00 ATOM 26 CA ALA 20 33.795 34.960 35.100 1.00 1.00 ATOM 27 CA ASP 21 34.236 31.180 34.882 1.00 1.00 ATOM 28 CA VAL 22 31.831 30.570 37.758 1.00 1.00 ATOM 29 CA THR 23 30.541 26.973 37.721 1.00 1.00 ATOM 30 CA VAL 24 26.734 26.610 37.761 1.00 1.00 ATOM 31 CA THR 25 24.751 23.338 38.218 1.00 1.00 ATOM 32 CA LEU 26 20.953 23.213 37.796 1.00 1.00 ATOM 33 CA GLU 27 18.832 20.381 39.262 1.00 1.00 ATOM 35 CA LYS 28 13.209 17.752 41.751 1.00 1.00 ATOM 36 CA LYS 29 12.316 14.250 40.586 1.00 1.00 ATOM 37 CA ALA 30 9.183 12.193 41.085 1.00 1.00 ATOM 38 CA ASP 31 10.911 10.419 43.992 1.00 1.00 ATOM 39 CA ASN 32 11.886 13.631 45.819 1.00 1.00 ATOM 40 CA GLY 33 15.539 13.500 44.647 1.00 1.00 ATOM 41 CA TRP 34 17.555 16.166 42.814 1.00 1.00 ATOM 42 CA LEU 35 18.241 15.079 39.233 1.00 1.00 ATOM 43 CA GLN 36 20.888 16.766 37.061 1.00 1.00 ATOM 44 CA LEU 37 19.279 19.160 34.595 1.00 1.00 ATOM 45 CA ASN 38 21.925 21.480 33.156 1.00 1.00 ATOM 46 CA THR 39 25.391 22.922 33.862 1.00 1.00 ATOM 47 CA ALA 40 27.788 25.529 32.438 1.00 1.00 ATOM 48 CA LYS 41 30.264 28.274 33.375 1.00 1.00 ATOM 49 CA THR 42 29.688 32.038 33.299 1.00 1.00 ATOM 50 CA ASP 43 31.105 33.931 30.333 1.00 1.00 ATOM 51 CA LYS 44 33.221 37.132 30.329 1.00 1.00 ATOM 52 CA ASP 45 30.002 39.126 30.884 1.00 1.00 ATOM 53 CA GLY 46 29.231 37.003 33.973 1.00 1.00 ATOM 54 CA ARG 47 26.314 35.380 32.136 1.00 1.00 ATOM 55 CA ILE 48 25.165 31.855 31.436 1.00 1.00 ATOM 56 CA LYS 49 22.740 31.299 28.578 1.00 1.00 ATOM 57 CA ALA 50 21.577 28.251 26.633 1.00 1.00 ATOM 58 CA LEU 51 21.013 26.077 29.719 1.00 1.00 ATOM 59 CA TRP 52 17.665 24.761 28.430 1.00 1.00 ATOM 60 CA PRO 53 14.828 25.203 25.946 1.00 1.00 ATOM 61 CA GLU 54 11.179 26.098 26.425 1.00 1.00 ATOM 62 CA GLN 55 10.335 22.494 25.495 1.00 1.00 ATOM 63 CA THR 56 12.532 20.857 28.169 1.00 1.00 ATOM 64 CA ALA 57 11.794 23.399 30.915 1.00 1.00 ATOM 65 CA THR 58 8.521 22.000 32.229 1.00 1.00 ATOM 66 CA THR 59 6.784 22.764 35.492 1.00 1.00 ATOM 67 CA GLY 60 8.757 21.675 38.557 1.00 1.00 ATOM 68 CA ASP 61 11.025 22.603 41.465 1.00 1.00 ATOM 69 CA TYR 62 14.495 23.677 40.324 1.00 1.00 ATOM 70 CA ARG 63 17.738 24.283 42.205 1.00 1.00 ATOM 71 CA VAL 64 20.421 26.576 40.810 1.00 1.00 ATOM 72 CA VAL 65 23.723 25.926 42.583 1.00 1.00 ATOM 73 CA PHE 66 26.554 28.411 42.113 1.00 1.00 ATOM 74 CA LYS 67 30.091 27.317 43.011 1.00 1.00 ATOM 75 CA THR 68 31.182 30.413 44.908 1.00 1.00 ATOM 76 CA GLY 69 33.838 28.672 47.026 1.00 1.00 ATOM 77 CA ASP 70 36.006 27.807 43.992 1.00 1.00 ATOM 78 CA TYR 71 35.620 31.345 42.625 1.00 1.00 ATOM 79 CA PHE 72 36.928 33.037 45.775 1.00 1.00 ATOM 80 CA LYS 73 39.674 30.459 46.370 1.00 1.00 ATOM 81 CA LYS 74 41.004 31.159 42.868 1.00 1.00 ATOM 82 CA GLN 75 41.283 34.822 43.868 1.00 1.00 ATOM 83 CA ASN 76 43.209 34.117 47.107 1.00 1.00 ATOM 84 CA LEU 77 40.239 34.425 49.459 1.00 1.00 ATOM 85 CA GLU 78 38.818 31.858 51.890 1.00 1.00 ATOM 86 CA SER 79 35.089 32.616 51.777 1.00 1.00 ATOM 87 CA PHE 80 32.356 31.705 54.256 1.00 1.00 ATOM 88 CA PHE 81 29.820 29.816 52.103 1.00 1.00 ATOM 89 CA PRO 82 30.284 26.474 50.358 1.00 1.00 ATOM 90 CA GLU 83 28.052 27.647 47.509 1.00 1.00 ATOM 91 CA ILE 84 25.011 29.812 46.759 1.00 1.00 ATOM 92 CA PRO 85 21.773 27.844 46.198 1.00 1.00 ATOM 93 CA VAL 86 18.536 29.161 44.737 1.00 1.00 ATOM 94 CA GLU 87 15.433 26.950 44.924 1.00 1.00 ATOM 95 CA PHE 88 12.156 27.771 43.199 1.00 1.00 ATOM 96 CA HIS 89 9.034 26.513 41.522 1.00 1.00 ATOM 97 CA ILE 90 9.057 27.281 37.777 1.00 1.00 ATOM 98 CA ASN 91 6.285 27.529 35.172 1.00 1.00 ATOM 100 CA LYS 92 0.998 28.985 35.656 1.00 1.00 ATOM 101 CA VAL 93 2.519 28.552 32.205 1.00 1.00 ATOM 102 CA ASN 94 5.895 29.305 30.641 1.00 1.00 ATOM 103 CA GLU 95 7.874 32.245 32.015 1.00 1.00 ATOM 104 CA HIS 96 11.409 33.556 31.461 1.00 1.00 ATOM 105 CA TYR 97 13.630 33.512 34.563 1.00 1.00 ATOM 106 CA HIS 98 16.755 35.547 35.236 1.00 1.00 ATOM 107 CA VAL 99 18.618 34.552 38.402 1.00 1.00 ATOM 108 CA PRO 100 21.028 37.354 39.393 1.00 1.00 ATOM 109 CA LEU 101 23.540 36.917 42.243 1.00 1.00 ATOM 110 CA LEU 102 26.049 39.419 43.714 1.00 1.00 ATOM 111 CA LEU 103 29.033 37.910 45.544 1.00 1.00 ATOM 112 CA SER 104 31.220 38.992 48.500 1.00 1.00 ATOM 113 CA GLN 105 33.414 36.603 50.589 1.00 1.00 ATOM 114 CA TYR 106 30.986 36.611 53.554 1.00 1.00 ATOM 115 CA GLY 107 27.701 37.582 51.894 1.00 1.00 ATOM 116 CA TYR 108 25.632 37.104 48.772 1.00 1.00 ATOM 117 CA SER 109 22.436 38.633 47.457 1.00 1.00 ATOM 118 CA THR 110 20.188 36.871 44.966 1.00 1.00 ATOM 119 CA TYR 111 17.178 38.227 43.090 1.00 1.00 ATOM 120 CA ARG 112 14.868 36.875 40.379 1.00 1.00 ATOM 121 CA GLY 113 13.405 38.746 37.413 1.00 1.00 ATOM 122 CA SER 114 10.385 36.910 35.962 1.00 1.00 TER END ################################ # # # END # # # ################################