From mailer@bialko.llnl.gov Fri Aug 16 06:09:29 2002 Date: Fri, 16 Aug 2002 06:09:23 -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 05:41:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_542811_25726 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188SS007_1 Current information on models submitted in prediction T0188SS007 MODEL_INDEX PIN CODE DATE E-mail T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 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: 124 # Number of residues with nonzero confidence: 124 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0188 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-9182.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-6980//target-align-6980.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 27.6601 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-9182.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc54.13711/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 16:12:51 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-6980//target-align-6980.a2m METHOD METHOD guide seq name: seed-seqs-9182.a2m(1), 124 bases, 4A963E86 checksum. METHOD ###end 0 MODEL 1 M C 0.67 I E 0.482 I E 0.648 A E 0.652 I E 0.617 P E 0.494 V C 0.492 S C 0.607 E C 0.68 N C 0.672 R C 0.605 G C 0.644 K C 0.573 D C 0.553 S C 0.507 P C 0.425 I C 0.416 S C 0.456 E C 0.413 H C 0.398 F C 0.408 G C 0.535 R C 0.536 A C 0.562 P C 0.524 Y E 0.543 F E 0.655 A E 0.693 F E 0.699 V E 0.649 K E 0.569 V E 0.411 K C 0.567 N C 0.638 N C 0.647 A C 0.496 I E 0.473 A E 0.523 D E 0.533 I E 0.522 S E 0.531 V E 0.538 E E 0.481 E C 0.434 N C 0.603 P C 0.622 L C 0.574 A C 0.536 Q C 0.55 D C 0.579 H C 0.615 V C 0.578 H C 0.518 G H 0.429 A H 0.498 V H 0.623 P H 0.686 N H 0.719 F H 0.72 V H 0.714 K H 0.699 E H 0.684 K H 0.493 G C 0.686 A C 0.624 E E 0.421 L E 0.689 V E 0.728 I E 0.708 V E 0.61 R C 0.463 G C 0.585 I C 0.584 G C 0.7 R C 0.517 R H 0.518 A H 0.667 I H 0.726 A H 0.736 A H 0.739 F H 0.75 E H 0.747 A H 0.742 M H 0.612 G C 0.646 V C 0.637 K C 0.434 V E 0.606 I E 0.615 K E 0.571 G E 0.404 A C 0.611 S C 0.63 G C 0.587 T C 0.512 V H 0.716 E H 0.762 E H 0.795 V H 0.788 V H 0.794 N H 0.799 Q H 0.777 Y H 0.739 L H 0.703 S H 0.552 G C 0.585 Q C 0.526 L C 0.478 K C 0.522 D C 0.516 S C 0.549 D C 0.575 Y C 0.576 E C 0.568 V C 0.543 H C 0.586 D C 0.61 H C 0.617 H C 0.619 H C 0.592 H C 0.599 E C 0.603 H C 0.635 H C 0.667 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:24:08 2002 Date: Thu, 22 Aug 2002 12:24:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 11:56:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_700317_31205 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS007_1 Current information on models submitted in prediction T0188TS007 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_1 PIN_700317_31205 6269-7633-6117 08/22/02 11:56:05 casp5@bialko.llnl.gov T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_1 PIN_700317_31205 6269-7633-6117 08/22/02 11:56:05 casp5@bialko.llnl.gov T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 casp5@bialko.llnl.gov T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1EO1_A # Loading PARENT structure: 1eo1 (chain: A) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 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 I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue P 6 # IMPORTANT NOTE! Not complete main chain atoms for residue V 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue E 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue D 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue P 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue H 20 # IMPORTANT NOTE! Not complete main chain atoms for residue F 21 # IMPORTANT NOTE! Not complete main chain atoms for residue G 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue N 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue H 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue H 118 # IMPORTANT NOTE! Not complete main chain atoms for residue H 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 120 # Total number of atoms in model: 120 # Number of atoms with 1.0 occupancy: 120 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 120 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1EO1_A ATOM 1 CA MET 1 7.771 1.163 -4.872 1.00 1.00 ATOM 2 CA ILE 2 4.199 1.217 -3.514 1.00 1.00 ATOM 3 CA ILE 3 1.578 -1.184 -4.925 1.00 1.00 ATOM 4 CA ALA 4 -2.014 0.117 -4.984 1.00 1.00 ATOM 5 CA ILE 5 -4.899 -2.319 -5.587 1.00 1.00 ATOM 6 CA PRO 6 -7.956 -0.587 -7.089 1.00 1.00 ATOM 7 CA VAL 7 -11.192 -1.344 -5.202 1.00 1.00 ATOM 8 CA SER 8 -10.035 -4.567 -3.491 1.00 1.00 ATOM 9 CA GLU 9 -13.001 -3.938 -1.162 1.00 1.00 ATOM 10 CA ASN 10 -11.948 -3.209 2.437 1.00 1.00 ATOM 11 CA GLY 12 -11.530 -6.706 3.934 1.00 1.00 ATOM 12 CA LYS 13 -11.386 -9.876 1.801 1.00 1.00 ATOM 13 CA ASP 14 -14.719 -10.135 -0.054 1.00 1.00 ATOM 14 CA SER 15 -14.344 -7.611 -2.899 1.00 1.00 ATOM 15 CA PRO 16 -11.870 -9.603 -5.019 1.00 1.00 ATOM 16 CA ILE 17 -10.847 -6.715 -7.307 1.00 1.00 ATOM 17 CA SER 18 -14.566 -5.831 -7.447 1.00 1.00 ATOM 18 CA GLU 19 -14.820 -5.569 -11.259 1.00 1.00 ATOM 19 CA HIS 20 -13.522 -2.498 -13.131 1.00 1.00 ATOM 20 CA PHE 21 -11.603 0.622 -12.044 1.00 1.00 ATOM 21 CA GLY 22 -13.504 3.897 -12.577 1.00 1.00 ATOM 22 CA ARG 23 -15.014 5.340 -9.377 1.00 1.00 ATOM 23 CA ALA 24 -14.013 2.607 -6.901 1.00 1.00 ATOM 24 CA PRO 25 -14.216 4.565 -3.627 1.00 1.00 ATOM 25 CA TYR 26 -11.797 2.120 -1.943 1.00 1.00 ATOM 26 CA PHE 27 -8.214 2.226 -3.270 1.00 1.00 ATOM 27 CA ALA 28 -6.087 -0.063 -1.068 1.00 1.00 ATOM 28 CA PHE 29 -2.485 1.112 -0.572 1.00 1.00 ATOM 29 CA VAL 30 0.382 -1.335 0.050 1.00 1.00 ATOM 30 CA LYS 31 3.799 0.108 0.976 1.00 1.00 ATOM 31 CA VAL 32 6.076 -2.871 0.232 1.00 1.00 ATOM 32 CA LYS 33 9.749 -2.498 1.227 1.00 1.00 ATOM 33 CA ASN 34 11.726 -5.769 1.168 1.00 1.00 ATOM 34 CA ASN 35 9.156 -8.068 -0.486 1.00 1.00 ATOM 35 CA ALA 36 7.264 -7.844 2.828 1.00 1.00 ATOM 36 CA ILE 37 4.216 -5.548 3.057 1.00 1.00 ATOM 37 CA ALA 38 5.284 -3.145 5.830 1.00 1.00 ATOM 38 CA ASP 39 2.008 -1.180 5.733 1.00 1.00 ATOM 39 CA ILE 40 -1.421 -2.215 4.406 1.00 1.00 ATOM 40 CA SER 41 -4.026 0.566 4.526 1.00 1.00 ATOM 41 CA VAL 42 -7.087 1.567 2.467 1.00 1.00 ATOM 42 CA GLU 43 -8.416 5.003 1.447 1.00 1.00 ATOM 43 CA GLU 44 -12.057 5.548 0.420 1.00 1.00 ATOM 44 CA ASN 45 -13.125 8.270 -2.042 1.00 1.00 ATOM 45 CA PRO 46 -14.616 11.460 -0.585 1.00 1.00 ATOM 48 CA LEU 47 -21.097 10.776 -6.425 1.00 1.00 ATOM 49 CA ALA 48 -21.476 14.579 -6.451 1.00 1.00 ATOM 50 CA GLN 49 -18.390 16.393 -7.787 1.00 1.00 ATOM 51 CA ASP 50 -18.319 17.149 -11.534 1.00 1.00 ATOM 52 CA HIS 51 -16.283 14.888 -13.845 1.00 1.00 ATOM 53 CA VAL 52 -14.613 12.599 -11.281 1.00 1.00 ATOM 54 CA HIS 53 -13.925 8.869 -10.808 1.00 1.00 ATOM 55 CA GLY 54 -10.781 8.623 -12.965 1.00 1.00 ATOM 56 CA ALA 55 -9.659 11.929 -11.411 1.00 1.00 ATOM 57 CA VAL 56 -8.683 10.035 -8.239 1.00 1.00 ATOM 58 CA PRO 57 -5.602 8.949 -10.221 1.00 1.00 ATOM 59 CA ASN 58 -3.974 12.369 -9.700 1.00 1.00 ATOM 60 CA PHE 59 -4.176 11.660 -5.948 1.00 1.00 ATOM 61 CA VAL 60 -2.853 8.093 -6.332 1.00 1.00 ATOM 62 CA LYS 61 0.326 9.642 -7.787 1.00 1.00 ATOM 63 CA GLU 62 0.605 12.131 -4.902 1.00 1.00 ATOM 64 CA LYS 63 0.666 9.153 -2.507 1.00 1.00 ATOM 65 CA GLY 64 3.856 7.802 -4.131 1.00 1.00 ATOM 66 CA ALA 65 1.880 4.822 -5.488 1.00 1.00 ATOM 67 CA GLU 66 4.513 3.804 -8.050 1.00 1.00 ATOM 68 CA LEU 67 2.253 0.843 -8.908 1.00 1.00 ATOM 69 CA VAL 68 -1.438 0.995 -9.891 1.00 1.00 ATOM 70 CA ILE 69 -3.109 -2.373 -10.575 1.00 1.00 ATOM 71 CA VAL 70 -6.624 -1.730 -11.929 1.00 1.00 ATOM 72 CA ARG 71 -8.986 -2.886 -14.696 1.00 1.00 ATOM 73 CA GLY 72 -10.545 0.381 -15.927 1.00 1.00 ATOM 74 CA ILE 73 -12.664 -0.121 -19.060 1.00 1.00 ATOM 75 CA GLY 74 -10.561 1.675 -21.705 1.00 1.00 ATOM 76 CA ARG 75 -7.159 3.367 -22.007 1.00 1.00 ATOM 77 CA ARG 76 -8.624 6.458 -20.297 1.00 1.00 ATOM 78 CA ALA 77 -6.999 5.844 -16.892 1.00 1.00 ATOM 79 CA ILE 78 -3.948 4.116 -18.415 1.00 1.00 ATOM 80 CA ALA 79 -3.688 7.266 -20.562 1.00 1.00 ATOM 81 CA ALA 80 -2.938 9.637 -17.666 1.00 1.00 ATOM 82 CA PHE 81 -1.039 7.091 -15.544 1.00 1.00 ATOM 83 CA GLU 82 1.216 6.878 -18.622 1.00 1.00 ATOM 84 CA ALA 83 1.701 10.648 -19.051 1.00 1.00 ATOM 85 CA MET 84 2.467 10.692 -15.308 1.00 1.00 ATOM 86 CA GLY 85 5.428 8.275 -15.253 1.00 1.00 ATOM 87 CA VAL 86 4.061 5.696 -12.787 1.00 1.00 ATOM 88 CA LYS 87 3.889 1.923 -13.369 1.00 1.00 ATOM 89 CA VAL 88 0.469 0.936 -14.762 1.00 1.00 ATOM 90 CA ILE 89 -0.828 -2.582 -14.029 1.00 1.00 ATOM 91 CA LYS 90 -3.727 -4.667 -15.384 1.00 1.00 ATOM 92 CA GLY 91 -5.993 -6.753 -13.117 1.00 1.00 ATOM 93 CA ALA 92 -7.255 -9.725 -15.166 1.00 1.00 ATOM 94 CA SER 93 -9.308 -10.708 -12.097 1.00 1.00 ATOM 95 CA GLY 94 -8.406 -13.017 -9.188 1.00 1.00 ATOM 96 CA THR 95 -8.292 -11.492 -5.687 1.00 1.00 ATOM 97 CA VAL 96 -6.506 -8.831 -3.607 1.00 1.00 ATOM 98 CA GLU 97 -4.764 -11.272 -1.237 1.00 1.00 ATOM 99 CA GLU 98 -3.218 -13.126 -4.202 1.00 1.00 ATOM 100 CA VAL 99 -2.608 -9.867 -6.111 1.00 1.00 ATOM 101 CA VAL 100 -0.205 -8.777 -3.343 1.00 1.00 ATOM 102 CA ASN 101 2.074 -11.836 -3.579 1.00 1.00 ATOM 103 CA GLN 102 1.508 -11.583 -7.351 1.00 1.00 ATOM 104 CA TYR 103 3.268 -8.199 -7.615 1.00 1.00 ATOM 105 CA LEU 104 6.295 -9.588 -5.739 1.00 1.00 ATOM 106 CA SER 105 6.812 -12.134 -8.540 1.00 1.00 ATOM 107 CA GLY 106 6.066 -9.646 -11.345 1.00 1.00 ATOM 108 CA GLN 107 3.319 -11.996 -12.581 1.00 1.00 ATOM 109 CA LEU 108 0.713 -9.368 -13.524 1.00 1.00 ATOM 110 CA LYS 109 1.447 -7.124 -16.529 1.00 1.00 ATOM 111 CA ASP 110 2.504 -3.458 -16.350 1.00 1.00 ATOM 112 CA SER 111 2.864 -0.647 -18.915 1.00 1.00 ATOM 113 CA ASP 112 4.886 2.593 -18.774 1.00 1.00 ATOM 114 CA TYR 113 6.077 5.452 -21.012 1.00 1.00 ATOM 115 CA GLU 114 9.668 6.718 -20.772 1.00 1.00 ATOM 116 CA VAL 115 10.639 10.102 -22.262 1.00 1.00 ATOM 117 CA HIS 116 14.445 9.875 -22.019 1.00 1.00 ATOM 118 CA ASP 117 15.531 7.327 -24.651 1.00 1.00 ATOM 119 CA HIS 118 17.782 7.530 -27.733 1.00 1.00 ATOM 120 CA HIS 119 20.338 10.169 -26.676 1.00 1.00 ATOM 121 CA HIS 120 20.630 12.419 -29.750 1.00 1.00 ATOM 122 CA HIS 121 22.425 15.627 -28.710 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:23:08 2002 Date: Thu, 22 Aug 2002 12:23:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 11:54:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_680563_31203 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS007_2 Current information on models submitted in prediction T0188TS007 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 casp5@bialko.llnl.gov T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1FMJ_A # Loading PARENT structure: 1fmj (chain: A) # Number of residues in PARENT structure: 342 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue H 116 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 64 # Total number of atoms in model: 64 # Number of atoms with 1.0 occupancy: 64 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 64 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1FMJ_A ATOM 167 CA HIS 53 4.195 -10.736 27.271 1.00 1.00 ATOM 168 CA GLY 54 5.667 -12.886 24.468 1.00 1.00 ATOM 169 CA ALA 55 8.122 -14.549 26.864 1.00 1.00 ATOM 170 CA VAL 56 5.372 -15.434 29.314 1.00 1.00 ATOM 171 CA PRO 57 2.499 -17.938 28.906 1.00 1.00 ATOM 172 CA ASN 58 0.321 -17.004 25.944 1.00 1.00 ATOM 173 CA PHE 59 -3.232 -16.469 27.132 1.00 1.00 ATOM 174 CA VAL 60 -1.783 -15.901 30.615 1.00 1.00 ATOM 175 CA LYS 61 -4.358 -13.108 30.863 1.00 1.00 ATOM 176 CA GLU 62 -7.165 -15.687 30.729 1.00 1.00 ATOM 177 CA LYS 63 -6.109 -16.576 34.250 1.00 1.00 ATOM 178 CA GLY 64 -4.300 -13.683 35.908 1.00 1.00 ATOM 179 CA ALA 65 -4.729 -9.949 36.262 1.00 1.00 ATOM 180 CA GLU 66 -1.926 -7.621 35.184 1.00 1.00 ATOM 181 CA LEU 67 -1.192 -3.914 35.524 1.00 1.00 ATOM 182 CA VAL 68 1.329 -2.742 32.963 1.00 1.00 ATOM 183 CA ILE 69 3.099 0.577 33.295 1.00 1.00 ATOM 184 CA VAL 70 4.557 2.616 30.435 1.00 1.00 ATOM 185 CA ARG 71 6.451 5.899 30.623 1.00 1.00 ATOM 186 CA GLY 72 7.956 8.381 28.149 1.00 1.00 ATOM 187 CA ILE 73 11.013 6.474 26.760 1.00 1.00 ATOM 188 CA GLY 74 13.306 9.466 27.219 1.00 1.00 ATOM 189 CA ARG 75 12.748 9.682 30.991 1.00 1.00 ATOM 190 CA ARG 76 12.935 5.885 31.193 1.00 1.00 ATOM 191 CA ALA 77 16.376 6.116 29.580 1.00 1.00 ATOM 192 CA ILE 78 17.503 8.728 32.122 1.00 1.00 ATOM 193 CA ALA 79 16.099 6.703 35.019 1.00 1.00 ATOM 194 CA ALA 80 17.598 3.503 33.616 1.00 1.00 ATOM 195 CA PHE 81 20.947 5.270 33.274 1.00 1.00 ATOM 196 CA GLU 82 20.958 6.179 36.985 1.00 1.00 ATOM 197 CA ALA 83 19.699 2.771 37.998 1.00 1.00 ATOM 198 CA MET 84 22.588 1.165 36.101 1.00 1.00 ATOM 199 CA GLY 85 24.925 3.465 38.029 1.00 1.00 ATOM 200 CA VAL 86 23.240 2.419 41.291 1.00 1.00 ATOM 201 CA LYS 87 24.112 -1.266 40.854 1.00 1.00 ATOM 202 CA VAL 88 27.518 -0.692 39.256 1.00 1.00 ATOM 203 CA ILE 89 26.240 -2.032 35.921 1.00 1.00 ATOM 204 CA LYS 90 27.853 0.709 33.817 1.00 1.00 ATOM 205 CA GLY 91 31.492 1.444 33.066 1.00 1.00 ATOM 206 CA ALA 92 32.393 4.507 35.146 1.00 1.00 ATOM 207 CA SER 93 33.910 6.270 32.121 1.00 1.00 ATOM 208 CA GLY 94 30.598 5.954 30.243 1.00 1.00 ATOM 209 CA THR 95 28.047 8.786 30.090 1.00 1.00 ATOM 210 CA VAL 96 24.331 9.135 29.423 1.00 1.00 ATOM 211 CA GLU 97 24.661 9.665 25.681 1.00 1.00 ATOM 212 CA GLU 98 26.476 6.329 25.368 1.00 1.00 ATOM 213 CA VAL 99 23.682 4.852 27.452 1.00 1.00 ATOM 214 CA VAL 100 21.109 6.482 25.151 1.00 1.00 ATOM 215 CA ASN 101 22.734 5.103 21.999 1.00 1.00 ATOM 216 CA GLN 102 22.493 1.615 23.473 1.00 1.00 ATOM 217 CA TYR 103 18.991 2.039 24.864 1.00 1.00 ATOM 218 CA LEU 104 17.283 3.407 21.736 1.00 1.00 ATOM 219 CA SER 105 19.058 0.902 19.496 1.00 1.00 ATOM 220 CA GLY 106 17.527 -1.946 21.470 1.00 1.00 ATOM 221 CA GLN 107 20.866 -2.892 23.011 1.00 1.00 ATOM 222 CA LEU 108 20.011 -2.451 26.675 1.00 1.00 ATOM 223 CA LYS 109 18.261 -4.826 29.067 1.00 1.00 ATOM 224 CA ASP 110 14.891 -6.106 27.821 1.00 1.00 ATOM 225 CA SER 111 14.635 -3.681 24.892 1.00 1.00 ATOM 226 CA ASP 112 13.586 -3.151 22.030 1.00 1.00 ATOM 227 CA TYR 113 11.661 -0.674 24.158 1.00 1.00 ATOM 228 CA GLU 114 8.718 -0.185 21.808 1.00 1.00 ATOM 229 CA VAL 115 8.219 -3.889 21.100 1.00 1.00 ATOM 230 CA HIS 116 7.911 -4.358 24.871 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:32:29 2002 Date: Thu, 22 Aug 2002 12:32:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 12:04:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_177225_31228 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS007_4 Current information on models submitted in prediction T0188TS007 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_4 PIN_177225_31228 6269-7633-6117 08/22/02 12:04:06 casp5@bialko.llnl.gov T0188TS007_5 PIN_697930_31206 6269-7633-6117 08/22/02 11:56:24 casp5@bialko.llnl.gov T0188TS007_1 PIN_700317_31205 6269-7633-6117 08/22/02 11:56:05 casp5@bialko.llnl.gov T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_1 PIN_700317_31205 6269-7633-6117 08/22/02 11:56:05 casp5@bialko.llnl.gov T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 casp5@bialko.llnl.gov T0188TS007_4 PIN_177225_31228 6269-7633-6117 08/22/02 12:04:06 casp5@bialko.llnl.gov T0188TS007_5 PIN_697930_31206 6269-7633-6117 08/22/02 11:56:24 casp5@bialko.llnl.gov T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1QOR_B # Loading PARENT structure: 1qor (chain: B) # Number of residues in PARENT structure: 326 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue N 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 72 # Total number of atoms in model: 72 # Number of atoms with 1.0 occupancy: 72 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 72 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1QOR_B ATOM 137 CA ALA 36 45.284 35.181 16.758 1.00 1.00 ATOM 138 CA ILE 37 41.783 35.645 18.227 1.00 1.00 ATOM 139 CA ALA 38 41.796 37.506 21.571 1.00 1.00 ATOM 140 CA ASP 39 39.484 37.243 24.649 1.00 1.00 ATOM 141 CA ILE 40 36.320 39.277 24.161 1.00 1.00 ATOM 142 CA SER 41 36.986 39.597 20.459 1.00 1.00 ATOM 143 CA VAL 42 33.979 39.697 18.129 1.00 1.00 ATOM 144 CA GLU 43 34.542 37.991 14.782 1.00 1.00 ATOM 145 CA GLU 44 32.541 36.313 12.010 1.00 1.00 ATOM 146 CA ASN 45 32.695 32.585 11.257 1.00 1.00 ATOM 147 CA PRO 46 30.515 31.096 8.464 1.00 1.00 ATOM 148 CA LEU 47 28.583 27.761 8.471 1.00 1.00 ATOM 149 CA ALA 48 28.896 27.607 12.220 1.00 1.00 ATOM 150 CA GLN 49 26.810 24.444 12.659 1.00 1.00 ATOM 151 CA ASP 50 28.957 22.347 10.250 1.00 1.00 ATOM 152 CA HIS 51 31.840 19.954 11.106 1.00 1.00 ATOM 153 CA VAL 52 34.497 22.650 11.464 1.00 1.00 ATOM 154 CA HIS 53 31.837 25.140 12.600 1.00 1.00 ATOM 155 CA GLY 54 30.690 23.348 15.730 1.00 1.00 ATOM 156 CA ALA 55 34.273 22.755 16.840 1.00 1.00 ATOM 157 CA VAL 56 34.999 26.521 16.198 1.00 1.00 ATOM 158 CA PRO 57 32.009 27.611 18.348 1.00 1.00 ATOM 159 CA ASN 58 33.384 25.521 21.229 1.00 1.00 ATOM 160 CA PHE 59 37.021 26.563 20.938 1.00 1.00 ATOM 161 CA VAL 60 36.080 30.303 20.531 1.00 1.00 ATOM 162 CA LYS 61 34.019 29.984 23.724 1.00 1.00 ATOM 163 CA GLU 62 36.987 28.328 25.464 1.00 1.00 ATOM 164 CA LYS 63 39.120 31.275 24.297 1.00 1.00 ATOM 165 CA GLY 64 36.667 33.721 25.853 1.00 1.00 ATOM 166 CA ALA 65 36.065 35.148 22.371 1.00 1.00 ATOM 167 CA GLU 66 32.742 36.116 20.762 1.00 1.00 ATOM 168 CA LEU 67 32.036 34.119 17.594 1.00 1.00 ATOM 169 CA VAL 68 29.229 35.487 15.446 1.00 1.00 ATOM 170 CA ILE 69 28.134 32.553 13.284 1.00 1.00 ATOM 171 CA VAL 70 26.107 32.287 10.092 1.00 1.00 ATOM 172 CA ARG 71 23.867 29.221 9.536 1.00 1.00 ATOM 173 CA GLY 72 21.278 28.266 6.932 1.00 1.00 ATOM 174 CA ILE 73 18.311 27.337 9.232 1.00 1.00 ATOM 175 CA GLY 74 16.818 28.264 12.638 1.00 1.00 ATOM 176 CA ARG 75 17.582 24.731 13.901 1.00 1.00 ATOM 177 CA ARG 76 21.298 25.162 13.029 1.00 1.00 ATOM 178 CA ALA 77 21.256 28.502 14.893 1.00 1.00 ATOM 179 CA ILE 78 20.157 26.807 18.106 1.00 1.00 ATOM 180 CA ALA 79 22.935 24.202 17.730 1.00 1.00 ATOM 181 CA ALA 80 25.589 26.875 17.197 1.00 1.00 ATOM 182 CA PHE 81 24.376 28.952 20.162 1.00 1.00 ATOM 183 CA GLU 82 24.397 25.833 22.360 1.00 1.00 ATOM 184 CA ALA 83 27.916 24.952 21.148 1.00 1.00 ATOM 185 CA MET 84 29.112 28.438 22.032 1.00 1.00 ATOM 186 CA GLY 85 28.478 31.011 19.276 1.00 1.00 ATOM 187 CA VAL 86 27.924 34.409 20.877 1.00 1.00 ATOM 188 CA LYS 87 25.206 35.360 18.339 1.00 1.00 ATOM 189 CA VAL 88 24.126 33.762 15.049 1.00 1.00 ATOM 190 CA ILE 89 22.810 35.137 11.746 1.00 1.00 ATOM 191 CA LYS 90 20.624 33.118 9.443 1.00 1.00 ATOM 192 CA GLY 91 22.224 34.135 6.158 1.00 1.00 ATOM 193 CA ALA 92 19.481 32.550 4.101 1.00 1.00 ATOM 194 CA SER 93 16.743 34.692 5.623 1.00 1.00 ATOM 195 CA GLY 94 18.529 37.805 6.955 1.00 1.00 ATOM 196 CA THR 95 20.654 40.593 5.517 1.00 1.00 ATOM 197 CA VAL 96 24.070 39.468 6.714 1.00 1.00 ATOM 198 CA GLU 97 25.774 42.829 6.436 1.00 1.00 ATOM 199 CA GLU 98 23.065 44.855 8.211 1.00 1.00 ATOM 200 CA VAL 99 22.722 42.227 10.929 1.00 1.00 ATOM 201 CA VAL 100 26.490 42.178 11.429 1.00 1.00 ATOM 202 CA ASN 101 26.631 45.962 11.838 1.00 1.00 ATOM 203 CA GLN 102 23.689 45.743 14.264 1.00 1.00 ATOM 204 CA TYR 103 25.323 43.077 16.355 1.00 1.00 ATOM 205 CA LEU 104 28.596 44.983 16.402 1.00 1.00 ATOM 206 CA SER 105 26.948 48.342 16.979 1.00 1.00 ATOM 207 CA GLY 106 28.450 49.660 13.795 1.00 1.00 ATOM 208 CA GLN 107 32.040 48.720 14.590 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:24:18 2002 Date: Thu, 22 Aug 2002 12:24:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 11:56:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_697930_31206 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS007_5 Current information on models submitted in prediction T0188TS007 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_5 PIN_697930_31206 6269-7633-6117 08/22/02 11:56:24 casp5@bialko.llnl.gov T0188TS007_1 PIN_700317_31205 6269-7633-6117 08/22/02 11:56:05 casp5@bialko.llnl.gov T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_1 PIN_700317_31205 6269-7633-6117 08/22/02 11:56:05 casp5@bialko.llnl.gov T0188TS007_2 PIN_680563_31203 6269-7633-6117 08/22/02 11:54:45 casp5@bialko.llnl.gov T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 casp5@bialko.llnl.gov T0188TS007_5 PIN_697930_31206 6269-7633-6117 08/22/02 11:56:24 casp5@bialko.llnl.gov T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1AUO_A # Loading PARENT structure: 1auo (chain: A) # Number of residues in PARENT structure: 218 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 56 # Total number of atoms in model: 56 # Number of atoms with 1.0 occupancy: 56 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 56 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1AUO_A ATOM 149 CA LEU 47 52.613 4.965 51.982 1.00 1.00 ATOM 150 CA ALA 48 51.456 1.308 51.820 1.00 1.00 ATOM 151 CA GLN 49 48.465 -0.055 53.671 1.00 1.00 ATOM 152 CA ASP 50 48.124 -3.479 55.167 1.00 1.00 ATOM 153 CA HIS 51 44.966 -5.447 54.473 1.00 1.00 ATOM 154 CA VAL 52 43.576 -4.375 57.852 1.00 1.00 ATOM 155 CA HIS 53 44.282 -0.649 57.367 1.00 1.00 ATOM 156 CA GLY 54 42.556 -0.771 54.001 1.00 1.00 ATOM 157 CA ALA 55 39.273 -1.734 55.625 1.00 1.00 ATOM 158 CA VAL 56 39.106 1.145 58.019 1.00 1.00 ATOM 159 CA PRO 57 36.490 3.622 56.703 1.00 1.00 ATOM 160 CA ASN 58 37.236 7.324 56.877 1.00 1.00 ATOM 161 CA PHE 59 35.346 10.581 56.751 1.00 1.00 ATOM 162 CA VAL 60 37.132 13.759 55.741 1.00 1.00 ATOM 163 CA LYS 61 35.553 17.120 56.353 1.00 1.00 ATOM 164 CA GLU 62 36.878 20.551 55.489 1.00 1.00 ATOM 165 CA LYS 63 36.123 24.200 54.931 1.00 1.00 ATOM 166 CA GLY 64 36.231 25.789 51.528 1.00 1.00 ATOM 167 CA ALA 65 37.752 28.871 53.078 1.00 1.00 ATOM 168 CA GLU 66 40.227 27.362 55.552 1.00 1.00 ATOM 169 CA LEU 67 43.356 29.543 55.532 1.00 1.00 ATOM 170 CA VAL 68 45.448 27.533 58.040 1.00 1.00 ATOM 171 CA ILE 69 44.961 24.101 56.587 1.00 1.00 ATOM 172 CA VAL 70 44.305 24.511 52.865 1.00 1.00 ATOM 173 CA ARG 71 41.300 22.742 51.485 1.00 1.00 ATOM 174 CA GLY 72 43.768 21.045 49.101 1.00 1.00 ATOM 175 CA ILE 73 45.997 19.667 51.850 1.00 1.00 ATOM 176 CA GLY 74 42.956 18.021 53.419 1.00 1.00 ATOM 177 CA ARG 75 41.826 16.820 50.020 1.00 1.00 ATOM 178 CA ARG 76 45.380 15.418 49.353 1.00 1.00 ATOM 179 CA ALA 77 45.127 13.168 52.416 1.00 1.00 ATOM 180 CA ILE 78 41.657 12.012 51.264 1.00 1.00 ATOM 181 CA ALA 79 43.178 11.246 47.847 1.00 1.00 ATOM 182 CA ALA 80 45.940 9.122 49.291 1.00 1.00 ATOM 183 CA PHE 81 43.429 6.816 50.878 1.00 1.00 ATOM 184 CA GLU 82 40.956 6.881 48.000 1.00 1.00 ATOM 185 CA ALA 83 43.691 5.786 45.559 1.00 1.00 ATOM 186 CA MET 84 44.560 2.911 47.825 1.00 1.00 ATOM 187 CA GLY 85 41.147 1.296 48.077 1.00 1.00 ATOM 188 CA VAL 86 40.017 2.838 51.410 1.00 1.00 ATOM 189 CA LYS 87 36.332 3.570 51.652 1.00 1.00 ATOM 190 CA VAL 88 36.480 7.292 52.176 1.00 1.00 ATOM 191 CA ILE 89 34.017 10.158 52.108 1.00 1.00 ATOM 192 CA LYS 90 34.688 13.774 51.389 1.00 1.00 ATOM 193 CA GLY 91 32.532 16.655 52.651 1.00 1.00 ATOM 194 CA ALA 92 33.086 20.382 52.294 1.00 1.00 ATOM 195 CA SER 93 31.310 23.264 54.012 1.00 1.00 ATOM 196 CA GLY 94 31.310 27.047 53.533 1.00 1.00 ATOM 197 CA THR 95 33.467 27.966 56.552 1.00 1.00 ATOM 198 CA VAL 96 37.050 28.370 57.545 1.00 1.00 ATOM 199 CA GLU 97 39.078 26.533 60.155 1.00 1.00 ATOM 200 CA GLU 98 36.283 25.841 62.512 1.00 1.00 ATOM 201 CA VAL 99 33.444 23.372 63.154 1.00 1.00 ATOM 202 CA VAL 100 29.880 23.943 62.026 1.00 1.00 ATOM 203 CA ASN 101 26.648 22.583 63.385 1.00 1.00 ATOM 204 CA GLN 102 25.815 20.901 60.088 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 22 12:22:31 2002 Date: Thu, 22 Aug 2002 12:22:25 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0188 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 11:54:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_679298_31202 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0188TS007_3 Current information on models submitted in prediction T0188TS007 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 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 T0188 MODEL_INDEX PIN CODE DATE E-mail T0188TS007_3 PIN_679298_31202 6269-7633-6117 08/22/02 11:54:27 casp5@bialko.llnl.gov T0188SS007_1 PIN_542811_25726 6269-7633-6117 08/16/02 05:41:30 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 T0188 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1QOR_A # Loading PARENT structure: 1qor (chain: A) # Number of residues in PARENT structure: 326 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue E 44 # IMPORTANT NOTE! Not complete main chain atoms for residue N 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue L 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue V 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue P 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue K 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue K 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue E 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue V 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue R 76 # IMPORTANT NOTE! Not complete main chain atoms for residue A 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue F 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue A 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue T 95 # IMPORTANT NOTE! Not complete main chain atoms for residue V 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue V 100 # IMPORTANT NOTE! Not complete main chain atoms for residue N 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0188 # Total number of residues in target: 124 # Total number of residues in model: 72 # Total number of atoms in model: 72 # Number of atoms with 1.0 occupancy: 72 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 72 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0188 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1QOR_A ATOM 137 CA ALA 36 57.330 45.744 9.415 1.00 1.00 ATOM 138 CA ILE 37 60.684 45.379 7.613 1.00 1.00 ATOM 139 CA ALA 38 63.557 44.377 9.973 1.00 1.00 ATOM 140 CA ASP 39 67.369 44.896 9.835 1.00 1.00 ATOM 141 CA ILE 40 69.063 42.429 7.436 1.00 1.00 ATOM 142 CA SER 41 65.735 41.266 6.045 1.00 1.00 ATOM 143 CA VAL 42 65.811 40.521 2.305 1.00 1.00 ATOM 144 CA GLU 43 62.629 41.371 0.402 1.00 1.00 ATOM 145 CA GLU 44 61.585 42.188 -3.148 1.00 1.00 ATOM 146 CA ASN 45 60.455 45.642 -4.380 1.00 1.00 ATOM 147 CA PRO 46 59.409 46.200 -7.985 1.00 1.00 ATOM 148 CA LEU 47 60.180 49.157 -10.201 1.00 1.00 ATOM 149 CA ALA 48 63.018 50.221 -7.876 1.00 1.00 ATOM 150 CA GLN 49 64.288 53.205 -9.907 1.00 1.00 ATOM 151 CA ASP 50 60.875 54.972 -9.990 1.00 1.00 ATOM 152 CA HIS 51 59.390 57.774 -7.906 1.00 1.00 ATOM 153 CA VAL 52 58.338 55.534 -5.086 1.00 1.00 ATOM 154 CA HIS 53 61.166 53.058 -5.900 1.00 1.00 ATOM 155 CA GLY 54 64.134 55.366 -5.351 1.00 1.00 ATOM 156 CA ALA 55 62.685 56.543 -2.018 1.00 1.00 ATOM 157 CA VAL 56 62.087 52.906 -1.050 1.00 1.00 ATOM 158 CA PRO 57 65.761 52.043 -1.810 1.00 1.00 ATOM 159 CA ASN 58 67.046 54.828 0.526 1.00 1.00 ATOM 160 CA PHE 59 64.589 54.120 3.289 1.00 1.00 ATOM 161 CA VAL 60 65.331 50.348 3.184 1.00 1.00 ATOM 162 CA LYS 61 69.091 51.096 3.440 1.00 1.00 ATOM 163 CA GLU 62 68.532 53.464 6.351 1.00 1.00 ATOM 164 CA LYS 63 66.607 50.649 8.073 1.00 1.00 ATOM 165 CA GLY 64 69.584 48.376 7.409 1.00 1.00 ATOM 166 CA ALA 65 67.485 46.079 5.296 1.00 1.00 ATOM 167 CA GLU 66 68.194 44.291 2.055 1.00 1.00 ATOM 168 CA LEU 67 65.991 45.419 -0.769 1.00 1.00 ATOM 169 CA VAL 68 66.212 43.315 -3.922 1.00 1.00 ATOM 170 CA ILE 69 64.756 45.603 -6.642 1.00 1.00 ATOM 171 CA VAL 70 63.540 44.946 -10.192 1.00 1.00 ATOM 172 CA ARG 71 64.021 47.519 -12.969 1.00 1.00 ATOM 173 CA GLY 72 63.583 47.585 -16.715 1.00 1.00 ATOM 174 CA ILE 73 67.001 48.771 -17.940 1.00 1.00 ATOM 175 CA GLY 74 70.720 48.697 -17.030 1.00 1.00 ATOM 176 CA ARG 75 70.906 52.385 -16.200 1.00 1.00 ATOM 177 CA ARG 76 67.916 52.096 -13.841 1.00 1.00 ATOM 178 CA ALA 77 69.695 49.186 -12.210 1.00 1.00 ATOM 179 CA ILE 78 72.661 51.475 -11.501 1.00 1.00 ATOM 180 CA ALA 79 70.550 54.290 -10.064 1.00 1.00 ATOM 181 CA ALA 80 68.801 51.798 -7.754 1.00 1.00 ATOM 182 CA PHE 81 72.111 50.331 -6.466 1.00 1.00 ATOM 183 CA GLU 82 73.433 53.848 -5.998 1.00 1.00 ATOM 184 CA ALA 83 70.286 54.712 -4.006 1.00 1.00 ATOM 185 CA MET 84 70.728 51.676 -1.767 1.00 1.00 ATOM 186 CA GLY 85 69.198 48.558 -3.306 1.00 1.00 ATOM 187 CA VAL 86 71.189 45.525 -2.132 1.00 1.00 ATOM 188 CA LYS 87 70.784 43.682 -5.444 1.00 1.00 ATOM 189 CA VAL 88 68.746 44.430 -8.589 1.00 1.00 ATOM 190 CA ILE 89 67.209 42.087 -11.158 1.00 1.00 ATOM 191 CA LYS 90 66.352 43.473 -14.561 1.00 1.00 ATOM 192 CA GLY 91 62.929 41.868 -15.064 1.00 1.00 ATOM 193 CA ALA 92 62.858 42.581 -18.810 1.00 1.00 ATOM 194 CA SER 93 66.092 40.628 -19.383 1.00 1.00 ATOM 195 CA GLY 94 66.509 38.168 -16.577 1.00 1.00 ATOM 196 CA THR 95 64.492 35.348 -15.133 1.00 1.00 ATOM 197 CA VAL 96 63.144 37.003 -12.025 1.00 1.00 ATOM 198 CA GLU 97 62.114 33.865 -10.134 1.00 1.00 ATOM 199 CA GLU 98 65.326 31.933 -10.733 1.00 1.00 ATOM 200 CA VAL 99 67.548 34.975 -9.891 1.00 1.00 ATOM 201 CA VAL 100 65.505 35.610 -6.763 1.00 1.00 ATOM 202 CA ASN 101 65.962 32.007 -5.602 1.00 1.00 ATOM 203 CA GLN 102 69.688 32.238 -6.385 1.00 1.00 ATOM 204 CA TYR 103 70.099 35.572 -4.490 1.00 1.00 ATOM 205 CA LEU 104 68.281 34.206 -1.420 1.00 1.00 ATOM 206 CA SER 105 70.098 30.895 -1.167 1.00 1.00 ATOM 207 CA GLY 106 66.871 29.223 -2.167 1.00 1.00 ATOM 208 CA GLN 107 65.006 30.607 0.839 1.00 1.00 TER END ################################ # # # END # # # ################################