From mailer@bialko.llnl.gov Mon Aug 19 22:10:18 2002 Date: Mon, 19 Aug 2002 22:10:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 21:42:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_554695_28456 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193SS007_1 Current information on models submitted in prediction T0193SS007 MODEL_INDEX PIN CODE DATE E-mail T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0193 MODEL_INDEX PIN CODE DATE E-mail T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 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 T0193 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: 211 # Number of residues with nonzero confidence: 211 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0193 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-19889.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-14208//target-align-14208.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 8.16839 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-19889.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc68.21170/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: Sat Aug 17 12:14:44 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-14208//target-align-14208.a2m METHOD METHOD guide seq name: seed-seqs-19889.a2m(1), 211 bases, A025BE4B checksum. METHOD ###end 0 MODEL 1 M C 0.655 K C 0.632 V C 0.643 P C 0.613 E H 0.644 A H 0.66 A H 0.658 I H 0.674 S H 0.671 R H 0.673 L H 0.668 I H 0.693 T H 0.723 Y H 0.732 L H 0.736 R H 0.746 I H 0.739 L H 0.757 E H 0.756 E H 0.747 L H 0.707 E H 0.664 A H 0.661 Q H 0.494 G C 0.626 V C 0.53 H C 0.447 R C 0.361 T C 0.401 S C 0.564 S H 0.619 E H 0.723 Q H 0.724 L H 0.728 G H 0.717 E H 0.724 L H 0.706 A H 0.651 Q C 0.548 V C 0.569 T C 0.595 A H 0.601 F H 0.638 Q H 0.629 V H 0.595 R H 0.584 K H 0.512 D H 0.5 L H 0.536 S H 0.476 Y H 0.508 F H 0.413 G C 0.454 S C 0.446 Y C 0.471 G C 0.673 T C 0.634 R C 0.606 G C 0.602 V C 0.533 G C 0.543 Y C 0.512 T C 0.565 V H 0.681 P H 0.724 V H 0.742 L H 0.75 K H 0.753 R H 0.763 E H 0.762 L H 0.76 R H 0.75 H H 0.737 I H 0.709 L H 0.624 G C 0.562 L C 0.551 N C 0.605 R C 0.554 K C 0.486 W E 0.404 G E 0.489 L E 0.671 C E 0.721 I E 0.734 V E 0.681 G E 0.468 M C 0.491 G C 0.489 R H 0.477 L H 0.606 G H 0.635 S H 0.683 A H 0.692 L H 0.697 A H 0.678 D H 0.632 Y H 0.483 P C 0.447 G C 0.451 F C 0.479 G C 0.496 E C 0.549 S C 0.577 F C 0.445 E E 0.487 L E 0.596 R E 0.603 G E 0.596 F E 0.587 F E 0.557 D E 0.418 V C 0.54 D C 0.696 P C 0.567 E C 0.47 K C 0.396 V C 0.448 G C 0.509 R C 0.458 P C 0.461 V C 0.491 R C 0.589 G C 0.604 G C 0.418 V E 0.453 I E 0.496 E E 0.406 H C 0.513 V H 0.6 D H 0.666 L H 0.698 L H 0.701 P H 0.701 Q H 0.699 R H 0.67 V H 0.626 P H 0.53 G C 0.512 R C 0.606 I C 0.479 E E 0.48 I E 0.644 A E 0.653 L E 0.682 L E 0.673 T E 0.581 V C 0.524 P C 0.668 R H 0.485 E H 0.607 A H 0.66 A H 0.716 Q H 0.745 K H 0.742 A H 0.74 A H 0.781 D H 0.797 L H 0.793 L H 0.787 V H 0.776 A H 0.773 A H 0.636 G C 0.682 I C 0.675 K C 0.56 G E 0.597 I E 0.65 L E 0.621 N E 0.509 F C 0.425 A C 0.511 P C 0.456 V E 0.471 V E 0.532 L E 0.548 E E 0.487 V C 0.474 P C 0.609 K C 0.567 E C 0.483 V E 0.5 A E 0.585 V E 0.594 E E 0.548 N E 0.515 V E 0.489 D E 0.398 F H 0.453 L H 0.575 A H 0.659 G H 0.663 L H 0.696 T H 0.691 R H 0.687 L H 0.689 S H 0.683 F H 0.677 A H 0.653 I H 0.616 L H 0.545 N C 0.466 P C 0.525 K C 0.496 W H 0.503 R H 0.586 E H 0.61 E H 0.603 M H 0.591 M H 0.47 G C 0.705 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:36:08 2002 Date: Fri, 23 Aug 2002 17:36:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 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 Fri Aug 23 17:07:55 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_214572_32933 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS007_1 Current information on models submitted in prediction T0193TS007 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 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 T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 casp5@bialko.llnl.gov T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 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 T0193 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1J5P_A # Loading PARENT structure: 1j5p (chain: A) # Number of residues in PARENT structure: 235 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue F 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue K 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue N 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue F 189 # IMPORTANT NOTE! Not complete main chain atoms for residue L 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 83 # Total number of atoms in model: 83 # Number of atoms with 1.0 occupancy: 83 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 83 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1J5P_A ATOM 1 CA TRP 81 14.696 29.458 35.295 1.00 1.00 ATOM 2 CA GLY 82 12.287 27.769 32.893 1.00 1.00 ATOM 3 CA LEU 83 14.080 25.567 30.393 1.00 1.00 ATOM 4 CA CYS 84 13.581 23.360 27.387 1.00 1.00 ATOM 5 CA ILE 85 15.454 20.077 27.281 1.00 1.00 ATOM 6 CA VAL 86 15.783 18.268 23.969 1.00 1.00 ATOM 7 CA GLY 87 16.279 14.557 24.552 1.00 1.00 ATOM 8 CA MET 88 15.129 12.702 27.660 1.00 1.00 ATOM 9 CA GLY 89 17.717 9.948 27.606 1.00 1.00 ATOM 10 CA ARG 90 20.600 9.246 29.983 1.00 1.00 ATOM 11 CA LEU 91 21.727 12.876 30.180 1.00 1.00 ATOM 12 CA GLY 92 18.291 14.479 29.965 1.00 1.00 ATOM 13 CA SER 93 16.759 12.453 32.811 1.00 1.00 ATOM 14 CA ALA 94 19.791 13.096 34.969 1.00 1.00 ATOM 15 CA LEU 95 19.452 16.820 34.296 1.00 1.00 ATOM 16 CA ALA 96 15.837 16.878 35.438 1.00 1.00 ATOM 17 CA ASP 97 16.793 14.670 38.385 1.00 1.00 ATOM 18 CA TYR 98 19.695 16.831 39.566 1.00 1.00 ATOM 19 CA PRO 99 18.848 20.276 38.290 1.00 1.00 ATOM 20 CA SER 104 16.413 22.600 39.979 1.00 1.00 ATOM 21 CA PHE 105 14.057 24.233 37.521 1.00 1.00 ATOM 22 CA GLU 106 10.723 25.954 38.113 1.00 1.00 ATOM 23 CA LEU 107 9.425 24.563 34.819 1.00 1.00 ATOM 24 CA ARG 108 10.718 22.034 32.297 1.00 1.00 ATOM 25 CA GLY 109 9.603 21.544 28.723 1.00 1.00 ATOM 26 CA PHE 110 10.951 18.415 27.091 1.00 1.00 ATOM 27 CA PHE 111 10.969 17.107 23.549 1.00 1.00 ATOM 28 CA ASP 112 11.882 13.505 22.788 1.00 1.00 ATOM 29 CA VAL 113 10.440 11.261 20.076 1.00 1.00 ATOM 30 CA ASP 114 10.265 8.464 22.660 1.00 1.00 ATOM 31 CA PRO 115 7.009 7.368 24.274 1.00 1.00 ATOM 32 CA GLU 116 8.279 6.991 27.841 1.00 1.00 ATOM 33 CA LYS 117 5.867 8.354 30.435 1.00 1.00 ATOM 34 CA GLU 142 6.951 11.874 31.345 1.00 1.00 ATOM 35 CA ILE 143 7.784 12.582 35.001 1.00 1.00 ATOM 36 CA ALA 144 8.381 16.139 36.166 1.00 1.00 ATOM 37 CA LEU 145 8.290 17.628 32.672 1.00 1.00 ATOM 38 CA LEU 146 5.811 19.283 30.333 1.00 1.00 ATOM 39 CA THR 147 5.959 16.855 27.398 1.00 1.00 ATOM 40 CA VAL 148 5.822 18.772 24.109 1.00 1.00 ATOM 41 CA PRO 149 4.295 16.910 21.174 1.00 1.00 ATOM 42 CA ARG 150 5.441 19.378 18.529 1.00 1.00 ATOM 43 CA GLU 151 8.925 20.815 18.778 1.00 1.00 ATOM 44 CA ALA 152 8.797 24.502 19.601 1.00 1.00 ATOM 45 CA ALA 153 10.418 27.023 21.904 1.00 1.00 ATOM 46 CA GLN 154 7.893 28.301 24.459 1.00 1.00 ATOM 47 CA LYS 155 8.107 32.049 25.026 1.00 1.00 ATOM 48 CA ALA 156 8.896 31.636 28.724 1.00 1.00 ATOM 49 CA ALA 157 12.001 29.513 28.058 1.00 1.00 ATOM 50 CA ASP 158 15.261 31.235 29.014 1.00 1.00 ATOM 51 CA LEU 159 17.621 28.334 28.210 1.00 1.00 ATOM 52 CA LEU 160 17.490 25.473 25.759 1.00 1.00 ATOM 53 CA VAL 161 19.605 22.394 26.430 1.00 1.00 ATOM 55 CA ALA 162 21.284 16.382 24.869 1.00 1.00 ATOM 56 CA ALA 163 19.651 14.349 22.148 1.00 1.00 ATOM 57 CA GLY 164 21.802 13.757 19.091 1.00 1.00 ATOM 58 CA ILE 165 23.851 15.401 16.298 1.00 1.00 ATOM 59 CA LYS 166 20.796 15.025 14.053 1.00 1.00 ATOM 60 CA GLY 167 18.755 16.982 16.594 1.00 1.00 ATOM 61 CA ILE 168 21.315 19.799 16.495 1.00 1.00 ATOM 62 CA LEU 169 20.908 20.120 12.731 1.00 1.00 ATOM 63 CA ASN 170 17.092 19.828 12.943 1.00 1.00 ATOM 64 CA PHE 171 16.238 22.454 15.559 1.00 1.00 ATOM 65 CA ALA 172 19.181 24.862 15.650 1.00 1.00 ATOM 66 CA PRO 173 17.759 27.132 12.939 1.00 1.00 ATOM 67 CA VAL 174 14.578 27.730 14.920 1.00 1.00 ATOM 68 CA VAL 175 16.188 27.835 18.348 1.00 1.00 ATOM 69 CA LEU 176 18.577 30.593 17.260 1.00 1.00 ATOM 70 CA GLU 177 15.574 32.767 16.461 1.00 1.00 ATOM 71 CA VAL 178 14.793 32.913 20.184 1.00 1.00 ATOM 72 CA PRO 179 16.445 35.072 22.888 1.00 1.00 ATOM 73 CA LYS 180 17.758 32.066 24.791 1.00 1.00 ATOM 74 CA GLU 181 20.964 30.519 26.079 1.00 1.00 ATOM 75 CA VAL 182 21.527 27.468 23.896 1.00 1.00 ATOM 76 CA ALA 183 23.767 24.737 25.341 1.00 1.00 ATOM 77 CA VAL 184 24.911 22.079 22.872 1.00 1.00 ATOM 78 CA GLU 185 26.721 18.790 23.575 1.00 1.00 ATOM 79 CA ASN 186 26.147 16.765 20.371 1.00 1.00 ATOM 80 CA VAL 187 28.921 18.783 18.775 1.00 1.00 ATOM 81 CA ASP 188 29.875 16.097 16.246 1.00 1.00 ATOM 82 CA PHE 189 27.154 17.730 14.133 1.00 1.00 ATOM 83 CA LEU 190 29.584 20.561 13.446 1.00 1.00 ATOM 84 CA ALA 191 32.022 18.221 11.703 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:37:28 2002 Date: Fri, 23 Aug 2002 17:37:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 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 Fri Aug 23 17:09:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_231907_32938 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS007_2 Current information on models submitted in prediction T0193TS007 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_2 PIN_231907_32938 6269-7633-6117 08/23/02 17:09:35 casp5@bialko.llnl.gov T0193TS007_3 PIN_226083_32936 6269-7633-6117 08/23/02 17:08:54 casp5@bialko.llnl.gov T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 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 T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_2 PIN_231907_32938 6269-7633-6117 08/23/02 17:09:35 casp5@bialko.llnl.gov T0193TS007_3 PIN_226083_32936 6269-7633-6117 08/23/02 17:08:54 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 casp5@bialko.llnl.gov T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 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 T0193 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1JKF_A # Loading PARENT structure: 1jkf (chain: A) # Number of residues in PARENT structure: 466 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue R 69 # IMPORTANT NOTE! Not complete main chain atoms for residue E 70 # IMPORTANT NOTE! Not complete main chain atoms for residue L 71 # IMPORTANT NOTE! Not complete main chain atoms for residue R 72 # IMPORTANT NOTE! Not complete main chain atoms for residue H 73 # IMPORTANT NOTE! Not complete main chain atoms for residue I 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 73 # Total number of atoms in model: 73 # Number of atoms with 1.0 occupancy: 73 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 73 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1JKF_A ATOM 51 CA VAL 66 -5.089 34.188 48.227 1.00 1.00 ATOM 52 CA LEU 67 -8.457 35.969 48.383 1.00 1.00 ATOM 53 CA LYS 68 -11.740 34.210 48.947 1.00 1.00 ATOM 54 CA ARG 69 -14.864 35.218 47.090 1.00 1.00 ATOM 55 CA GLU 70 -18.559 34.585 47.228 1.00 1.00 ATOM 56 CA LEU 71 -19.988 34.613 43.734 1.00 1.00 ATOM 57 CA ARG 72 -23.674 35.129 43.080 1.00 1.00 ATOM 58 CA HIS 73 -25.204 33.814 39.916 1.00 1.00 ATOM 59 CA ILE 74 -28.668 34.971 38.996 1.00 1.00 ATOM 60 CA LEU 75 -30.043 31.577 37.996 1.00 1.00 ATOM 61 CA GLY 76 -32.886 32.811 35.761 1.00 1.00 ATOM 62 CA LEU 77 -32.075 33.389 32.092 1.00 1.00 ATOM 63 CA ASN 78 -34.365 35.857 30.290 1.00 1.00 ATOM 64 CA ARG 79 -36.900 34.032 28.139 1.00 1.00 ATOM 65 CA LYS 80 -36.190 36.416 25.271 1.00 1.00 ATOM 66 CA TRP 81 -32.995 38.437 24.887 1.00 1.00 ATOM 67 CA GLY 82 -33.155 41.587 22.757 1.00 1.00 ATOM 68 CA LEU 83 -30.200 42.185 20.458 1.00 1.00 ATOM 69 CA CYS 84 -29.510 45.365 18.519 1.00 1.00 ATOM 70 CA ILE 85 -26.931 45.090 15.718 1.00 1.00 ATOM 71 CA VAL 86 -25.418 48.239 14.223 1.00 1.00 ATOM 72 CA GLY 87 -24.664 47.206 10.630 1.00 1.00 ATOM 73 CA MET 88 -27.659 44.859 10.743 1.00 1.00 ATOM 75 CA GLY 89 -24.164 43.594 6.458 1.00 1.00 ATOM 76 CA ARG 90 -23.053 40.069 5.711 1.00 1.00 ATOM 77 CA LEU 91 -22.712 39.150 9.406 1.00 1.00 ATOM 78 CA GLY 92 -25.856 40.892 10.625 1.00 1.00 ATOM 79 CA SER 93 -28.093 39.353 8.026 1.00 1.00 ATOM 80 CA ALA 94 -26.699 35.890 8.443 1.00 1.00 ATOM 81 CA LEU 95 -27.011 36.241 12.189 1.00 1.00 ATOM 82 CA ALA 96 -30.781 36.818 11.986 1.00 1.00 ATOM 83 CA ASP 97 -31.013 33.948 9.504 1.00 1.00 ATOM 134 CA TYR 98 -24.761 26.812 34.363 1.00 1.00 ATOM 135 CA PRO 99 -27.830 28.242 32.594 1.00 1.00 ATOM 136 CA GLY 100 -27.175 30.344 29.491 1.00 1.00 ATOM 137 CA PHE 101 -29.605 32.008 27.076 1.00 1.00 ATOM 138 CA GLY 102 -30.092 30.188 23.786 1.00 1.00 ATOM 139 CA GLU 103 -29.294 31.915 20.466 1.00 1.00 ATOM 140 CA SER 104 -32.730 30.578 19.513 1.00 1.00 ATOM 141 CA PHE 105 -34.249 32.924 22.032 1.00 1.00 ATOM 142 CA GLU 106 -32.629 35.963 20.488 1.00 1.00 ATOM 143 CA LEU 107 -34.872 38.870 19.462 1.00 1.00 ATOM 144 CA ARG 108 -32.836 40.814 16.906 1.00 1.00 ATOM 145 CA GLY 109 -33.247 44.118 15.105 1.00 1.00 ATOM 146 CA PHE 110 -30.815 47.013 14.853 1.00 1.00 ATOM 147 CA PHE 111 -29.564 49.707 12.491 1.00 1.00 ATOM 148 CA ASP 112 -27.814 50.080 9.142 1.00 1.00 ATOM 149 CA VAL 113 -26.989 53.186 7.140 1.00 1.00 ATOM 150 CA ASP 114 -28.724 51.386 4.219 1.00 1.00 ATOM 151 CA PRO 115 -32.389 50.362 3.987 1.00 1.00 ATOM 152 CA GLU 116 -32.279 47.107 2.095 1.00 1.00 ATOM 153 CA LYS 117 -34.381 44.579 4.001 1.00 1.00 ATOM 154 CA VAL 118 -32.789 41.436 5.344 1.00 1.00 ATOM 155 CA GLY 119 -33.871 39.209 2.498 1.00 1.00 ATOM 156 CA ARG 120 -32.263 41.595 0.075 1.00 1.00 ATOM 157 CA PRO 121 -29.435 41.698 2.574 1.00 1.00 ATOM 158 CA VAL 122 -29.076 37.938 2.419 1.00 1.00 ATOM 159 CA ARG 123 -29.083 38.385 -1.343 1.00 1.00 ATOM 160 CA GLY 124 -26.184 40.780 -1.757 1.00 1.00 ATOM 161 CA GLY 125 -24.033 38.894 0.726 1.00 1.00 ATOM 162 CA VAL 126 -24.205 35.537 -0.950 1.00 1.00 ATOM 163 CA ILE 127 -23.259 33.663 2.227 1.00 1.00 ATOM 164 CA GLU 128 -26.131 31.244 2.553 1.00 1.00 ATOM 165 CA HIS 129 -27.347 28.489 0.199 1.00 1.00 ATOM 166 CA VAL 130 -29.773 29.583 -2.505 1.00 1.00 ATOM 167 CA ASP 131 -32.566 27.361 -1.223 1.00 1.00 ATOM 168 CA LEU 132 -32.022 28.251 2.434 1.00 1.00 ATOM 169 CA LEU 133 -32.132 31.896 1.493 1.00 1.00 ATOM 170 CA PRO 134 -35.389 31.097 -0.243 1.00 1.00 ATOM 171 CA GLN 135 -37.054 29.427 2.698 1.00 1.00 ATOM 172 CA ARG 136 -36.352 32.450 4.943 1.00 1.00 ATOM 173 CA VAL 137 -37.426 35.009 2.362 1.00 1.00 ATOM 174 CA PRO 138 -41.017 35.483 3.537 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:37:07 2002 Date: Fri, 23 Aug 2002 17:37:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 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 Fri Aug 23 17:08:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_226083_32936 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS007_3 Current information on models submitted in prediction T0193TS007 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_3 PIN_226083_32936 6269-7633-6117 08/23/02 17:08:54 casp5@bialko.llnl.gov T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 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 T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_3 PIN_226083_32936 6269-7633-6117 08/23/02 17:08:54 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 casp5@bialko.llnl.gov T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 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 T0193 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1GD1_O # Loading PARENT structure: 1gd1 (chain: O) # Number of residues in PARENT structure: 331 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue F 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue K 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue N 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue F 189 # IMPORTANT NOTE! Not complete main chain atoms for residue L 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 107 # Total number of atoms in model: 107 # Number of atoms with 1.0 occupancy: 107 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 107 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1GD1_O ATOM 5 CA ILE 85 6.563 -19.725 23.916 1.00 1.00 ATOM 6 CA VAL 86 6.340 -16.407 25.744 1.00 1.00 ATOM 7 CA GLY 87 4.629 -13.870 23.396 1.00 1.00 ATOM 8 CA MET 88 2.439 -15.507 20.706 1.00 1.00 ATOM 9 CA GLY 89 2.906 -12.716 18.147 1.00 1.00 ATOM 10 CA ARG 90 4.472 -12.680 14.629 1.00 1.00 ATOM 11 CA LEU 91 7.510 -14.611 15.811 1.00 1.00 ATOM 12 CA GLY 92 5.793 -16.822 18.410 1.00 1.00 ATOM 13 CA SER 93 3.141 -17.973 15.925 1.00 1.00 ATOM 14 CA ALA 94 5.744 -18.483 13.162 1.00 1.00 ATOM 15 CA LEU 95 7.861 -20.457 15.647 1.00 1.00 ATOM 16 CA ALA 96 4.761 -22.547 16.431 1.00 1.00 ATOM 17 CA ASP 97 4.197 -23.261 12.670 1.00 1.00 ATOM 18 CA TYR 98 7.852 -24.269 12.223 1.00 1.00 ATOM 19 CA PRO 99 7.791 -26.542 15.301 1.00 1.00 ATOM 20 CA GLY 100 4.885 -28.524 13.804 1.00 1.00 ATOM 21 CA PHE 101 7.470 -29.960 11.325 1.00 1.00 ATOM 22 CA GLY 102 10.220 -30.634 13.881 1.00 1.00 ATOM 23 CA GLU 103 10.611 -34.144 15.156 1.00 1.00 ATOM 24 CA SER 104 12.658 -33.084 18.197 1.00 1.00 ATOM 25 CA PHE 105 10.664 -30.375 19.971 1.00 1.00 ATOM 26 CA GLU 106 7.004 -30.019 20.945 1.00 1.00 ATOM 27 CA LEU 107 5.288 -26.792 21.910 1.00 1.00 ATOM 28 CA ARG 108 3.075 -27.482 24.967 1.00 1.00 ATOM 29 CA GLY 109 2.130 -24.009 26.183 1.00 1.00 ATOM 30 CA PHE 110 2.006 -20.419 25.094 1.00 1.00 ATOM 31 CA PHE 111 1.672 -17.167 26.977 1.00 1.00 ATOM 32 CA ASP 112 0.275 -13.913 25.741 1.00 1.00 ATOM 58 CA ASP 114 -10.037 -25.405 18.051 1.00 1.00 ATOM 59 CA PRO 115 -10.330 -24.200 21.617 1.00 1.00 ATOM 60 CA GLU 116 -11.033 -26.528 24.532 1.00 1.00 ATOM 61 CA LYS 117 -11.902 -24.395 27.505 1.00 1.00 ATOM 62 CA VAL 118 -8.773 -22.389 28.147 1.00 1.00 ATOM 63 CA GLY 119 -6.610 -24.367 25.784 1.00 1.00 ATOM 64 CA ARG 120 -5.884 -24.427 22.125 1.00 1.00 ATOM 65 CA PRO 121 -6.291 -27.810 20.448 1.00 1.00 ATOM 66 CA VAL 122 -4.078 -28.270 17.325 1.00 1.00 ATOM 67 CA ARG 123 -4.469 -31.523 15.425 1.00 1.00 ATOM 68 CA GLY 124 -5.775 -33.294 18.508 1.00 1.00 ATOM 69 CA GLY 125 -2.967 -32.021 20.855 1.00 1.00 ATOM 70 CA VAL 126 -3.870 -29.633 23.652 1.00 1.00 ATOM 71 CA ILE 127 -1.730 -26.502 24.059 1.00 1.00 ATOM 72 CA GLU 128 -1.982 -24.631 27.356 1.00 1.00 ATOM 73 CA HIS 129 -2.661 -20.898 27.112 1.00 1.00 ATOM 74 CA VAL 130 -1.525 -18.632 29.934 1.00 1.00 ATOM 75 CA ASP 131 -2.127 -14.854 30.197 1.00 1.00 ATOM 76 CA LEU 132 0.622 -13.778 32.635 1.00 1.00 ATOM 77 CA LEU 133 2.232 -10.390 32.266 1.00 1.00 ATOM 78 CA PRO 134 5.078 -11.508 34.600 1.00 1.00 ATOM 79 CA GLN 135 7.419 -14.259 33.461 1.00 1.00 ATOM 80 CA ARG 136 8.063 -15.148 37.066 1.00 1.00 ATOM 85 CA VAL 137 8.455 -26.337 35.718 1.00 1.00 ATOM 86 CA PRO 138 5.085 -27.800 36.739 1.00 1.00 ATOM 87 CA GLY 139 4.117 -28.573 33.155 1.00 1.00 ATOM 88 CA ARG 140 7.571 -29.750 32.178 1.00 1.00 ATOM 89 CA ILE 141 8.682 -27.038 29.763 1.00 1.00 ATOM 90 CA GLU 142 12.477 -27.171 29.438 1.00 1.00 ATOM 91 CA ILE 143 12.979 -24.526 26.776 1.00 1.00 ATOM 92 CA ALA 144 11.342 -21.165 26.611 1.00 1.00 ATOM 93 CA LEU 145 11.219 -19.035 23.470 1.00 1.00 ATOM 94 CA LEU 146 11.185 -15.437 24.707 1.00 1.00 ATOM 95 CA THR 147 9.330 -13.608 21.889 1.00 1.00 ATOM 96 CA VAL 148 7.523 -10.717 23.589 1.00 1.00 ATOM 97 CA PRO 149 10.216 -8.207 22.824 1.00 1.00 ATOM 98 CA ARG 150 10.038 -6.961 26.432 1.00 1.00 ATOM 99 CA GLU 151 12.488 -9.321 28.192 1.00 1.00 ATOM 100 CA ALA 152 15.701 -9.057 26.129 1.00 1.00 ATOM 101 CA ALA 153 17.957 -8.219 29.130 1.00 1.00 ATOM 102 CA GLN 154 19.349 -11.369 30.798 1.00 1.00 ATOM 103 CA LYS 155 17.863 -10.328 34.142 1.00 1.00 ATOM 104 CA ALA 156 14.343 -10.263 32.649 1.00 1.00 ATOM 105 CA ALA 157 14.799 -13.401 30.597 1.00 1.00 ATOM 106 CA ASP 158 16.206 -15.220 33.650 1.00 1.00 ATOM 107 CA LEU 159 12.687 -15.018 35.259 1.00 1.00 ATOM 108 CA LEU 160 11.676 -18.048 33.104 1.00 1.00 ATOM 109 CA VAL 161 14.511 -20.045 34.763 1.00 1.00 ATOM 110 CA ALA 162 13.205 -19.002 38.143 1.00 1.00 ATOM 111 CA ALA 163 9.756 -20.281 36.944 1.00 1.00 ATOM 112 CA GLY 164 11.156 -23.741 36.189 1.00 1.00 ATOM 113 CA ILE 165 12.486 -23.793 32.629 1.00 1.00 ATOM 114 CA LYS 166 16.061 -24.892 31.995 1.00 1.00 ATOM 115 CA GLY 167 16.996 -22.774 28.913 1.00 1.00 ATOM 116 CA ILE 168 15.797 -19.514 27.413 1.00 1.00 ATOM 117 CA LEU 169 16.028 -18.453 23.758 1.00 1.00 ATOM 118 CA ASN 170 15.498 -14.756 23.331 1.00 1.00 ATOM 119 CA PHE 171 14.095 -14.085 19.806 1.00 1.00 ATOM 120 CA ALA 172 16.115 -10.833 19.384 1.00 1.00 ATOM 121 CA PRO 173 19.430 -9.123 20.122 1.00 1.00 ATOM 122 CA VAL 174 19.905 -9.402 23.920 1.00 1.00 ATOM 0 CA VAL 175 21.668 -7.672 26.759 1.00 1.00 ATOM 123 CA LEU 176 24.057 -9.643 28.975 1.00 1.00 ATOM 124 CA GLU 177 22.952 -13.006 27.529 1.00 1.00 ATOM 125 CA VAL 178 25.193 -16.051 28.104 1.00 1.00 ATOM 126 CA PRO 179 25.768 -16.352 24.371 1.00 1.00 ATOM 127 CA LYS 180 24.485 -15.167 21.028 1.00 1.00 ATOM 128 CA GLU 181 24.181 -17.854 18.350 1.00 1.00 ATOM 129 CA VAL 182 23.626 -17.711 14.574 1.00 1.00 ATOM 130 CA ALA 183 22.786 -21.199 13.372 1.00 1.00 ATOM 131 CA VAL 184 25.342 -22.376 10.858 1.00 1.00 ATOM 132 CA GLU 185 27.866 -19.763 12.003 1.00 1.00 ATOM 133 CA ASN 186 28.753 -20.452 15.669 1.00 1.00 ATOM 134 CA VAL 187 26.402 -23.029 17.172 1.00 1.00 ATOM 135 CA ASP 188 29.576 -25.040 17.949 1.00 1.00 ATOM 136 CA PHE 189 30.406 -22.330 20.533 1.00 1.00 ATOM 137 CA LEU 190 27.318 -23.285 22.637 1.00 1.00 ATOM 138 CA ALA 191 28.109 -24.926 26.027 1.00 1.00 ATOM 0 CA GLY 192 25.183 -26.843 27.638 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:35:29 2002 Date: Fri, 23 Aug 2002 17:35:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 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 Fri Aug 23 17:07:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_213241_32932 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS007_4 Current information on models submitted in prediction T0193TS007 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 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 T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 casp5@bialko.llnl.gov T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 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 T0193 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1CF2_O # Loading PARENT structure: 1cf2 (chain: O) # Number of residues in PARENT structure: 336 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue F 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 93 # Total number of atoms in model: 93 # Number of atoms with 1.0 occupancy: 93 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 93 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1CF2_O ATOM 1 CA LYS 80 60.329 38.735 -31.946 1.00 1.00 ATOM 2 CA TRP 81 62.395 39.035 -28.767 1.00 1.00 ATOM 3 CA GLY 82 61.894 35.632 -27.110 1.00 1.00 ATOM 4 CA LEU 83 60.808 36.053 -23.483 1.00 1.00 ATOM 5 CA CYS 84 60.954 33.247 -20.911 1.00 1.00 ATOM 6 CA ILE 85 58.788 33.487 -17.759 1.00 1.00 ATOM 7 CA VAL 86 60.440 31.683 -14.849 1.00 1.00 ATOM 8 CA GLY 87 57.554 31.190 -12.417 1.00 1.00 ATOM 9 CA MET 88 54.001 31.095 -13.881 1.00 1.00 ATOM 10 CA GLY 89 52.336 32.237 -10.630 1.00 1.00 ATOM 11 CA ARG 90 50.311 35.263 -9.569 1.00 1.00 ATOM 12 CA LEU 91 52.525 37.837 -11.284 1.00 1.00 ATOM 13 CA GLY 92 54.047 35.368 -13.724 1.00 1.00 ATOM 14 CA SER 93 50.863 34.294 -15.483 1.00 1.00 ATOM 15 CA ALA 94 49.799 37.946 -15.951 1.00 1.00 ATOM 16 CA LEU 95 53.209 39.050 -17.225 1.00 1.00 ATOM 17 CA ALA 96 53.075 36.096 -19.669 1.00 1.00 ATOM 18 CA ASP 97 49.848 37.422 -21.229 1.00 1.00 ATOM 19 CA TYR 98 51.003 41.069 -21.312 1.00 1.00 ATOM 20 CA PRO 99 54.268 40.124 -23.052 1.00 1.00 ATOM 21 CA GLY 100 52.282 37.993 -25.505 1.00 1.00 ATOM 22 CA PHE 101 49.945 40.937 -26.235 1.00 1.00 ATOM 23 CA GLY 102 52.835 43.166 -27.477 1.00 1.00 ATOM 24 CA GLU 103 53.846 43.294 -31.161 1.00 1.00 ATOM 25 CA SER 104 57.639 43.081 -30.588 1.00 1.00 ATOM 26 CA PHE 105 57.777 40.186 -28.134 1.00 1.00 ATOM 27 CA GLU 106 56.361 36.685 -27.807 1.00 1.00 ATOM 28 CA LEU 107 56.384 34.186 -24.959 1.00 1.00 ATOM 29 CA ARG 108 58.552 31.154 -25.680 1.00 1.00 ATOM 30 CA GLY 109 58.081 29.526 -22.274 1.00 1.00 ATOM 31 CA PHE 110 56.553 29.642 -18.787 1.00 1.00 ATOM 32 CA PHE 111 57.761 27.446 -15.911 1.00 1.00 ATOM 33 CA ASP 112 56.122 25.668 -13.005 1.00 1.00 ATOM 34 CA VAL 113 57.261 23.409 -10.171 1.00 1.00 ATOM 35 CA ASP 114 53.998 21.447 -9.728 1.00 1.00 ATOM 36 CA PRO 115 51.396 19.899 -11.997 1.00 1.00 ATOM 37 CA GLU 116 48.203 21.729 -11.028 1.00 1.00 ATOM 38 CA LYS 117 45.372 23.595 -12.758 1.00 1.00 ATOM 39 CA VAL 118 47.588 26.578 -13.714 1.00 1.00 ATOM 40 CA GLY 119 50.086 24.271 -15.436 1.00 1.00 ATOM 41 CA ARG 120 47.170 22.839 -17.462 1.00 1.00 ATOM 42 CA PRO 121 45.833 26.356 -18.230 1.00 1.00 ATOM 61 CA VAL 122 54.036 16.321 -14.889 1.00 1.00 ATOM 62 CA ARG 123 54.210 13.233 -17.118 1.00 1.00 ATOM 63 CA GLY 124 52.223 11.248 -14.547 1.00 1.00 ATOM 64 CA GLY 125 49.469 13.915 -14.334 1.00 1.00 ATOM 65 CA VAL 126 49.082 13.976 -18.125 1.00 1.00 ATOM 66 CA ILE 127 50.588 17.443 -18.592 1.00 1.00 ATOM 67 CA GLU 128 52.761 17.849 -21.708 1.00 1.00 ATOM 68 CA HIS 129 56.203 19.241 -20.800 1.00 1.00 ATOM 69 CA VAL 130 58.531 20.998 -23.244 1.00 1.00 ATOM 70 CA ASP 131 61.652 20.514 -21.092 1.00 1.00 ATOM 71 CA LEU 132 63.245 22.126 -18.034 1.00 1.00 ATOM 72 CA LEU 133 64.029 25.737 -17.101 1.00 1.00 ATOM 73 CA PRO 134 67.629 24.973 -18.147 1.00 1.00 ATOM 74 CA GLN 135 66.328 24.282 -21.704 1.00 1.00 ATOM 75 CA ARG 136 63.856 27.187 -21.591 1.00 1.00 ATOM 76 CA VAL 137 66.672 29.692 -21.027 1.00 1.00 ATOM 77 CA PRO 138 68.823 28.315 -23.868 1.00 1.00 ATOM 78 CA ARG 140 66.207 29.847 -26.283 1.00 1.00 ATOM 79 CA ILE 141 65.427 33.193 -24.660 1.00 1.00 ATOM 80 CA GLU 142 66.520 36.756 -25.349 1.00 1.00 ATOM 81 CA ILE 143 65.685 37.542 -21.734 1.00 1.00 ATOM 82 CA ALA 144 63.979 35.909 -18.769 1.00 1.00 ATOM 83 CA LEU 145 61.404 37.514 -16.441 1.00 1.00 ATOM 84 CA LEU 146 61.800 35.959 -13.010 1.00 1.00 ATOM 85 CA THR 147 58.506 35.703 -11.106 1.00 1.00 ATOM 86 CA VAL 148 59.557 33.158 -8.437 1.00 1.00 ATOM 87 CA PRO 149 58.948 33.522 -4.689 1.00 1.00 ATOM 88 CA ARG 150 60.832 36.169 -2.705 1.00 1.00 ATOM 89 CA GLU 151 64.475 35.185 -2.350 1.00 1.00 ATOM 90 CA ALA 152 64.447 32.583 -5.146 1.00 1.00 ATOM 91 CA ALA 153 65.128 35.200 -7.825 1.00 1.00 ATOM 92 CA GLN 154 68.558 36.014 -6.320 1.00 1.00 ATOM 93 CA LYS 155 69.263 32.278 -6.251 1.00 1.00 ATOM 94 CA ALA 156 68.287 31.990 -9.944 1.00 1.00 ATOM 95 CA ALA 157 70.703 34.838 -10.804 1.00 1.00 ATOM 96 CA ASP 158 73.821 32.626 -10.558 1.00 1.00 ATOM 97 CA LEU 159 72.210 30.402 -13.186 1.00 1.00 ATOM 98 CA LEU 160 71.229 33.405 -15.313 1.00 1.00 ATOM 99 CA VAL 161 74.779 34.746 -15.362 1.00 1.00 ATOM 100 CA ALA 162 76.147 31.244 -16.044 1.00 1.00 ATOM 101 CA ALA 163 73.852 30.962 -19.102 1.00 1.00 ATOM 102 CA GLY 164 74.768 34.570 -19.890 1.00 1.00 ATOM 103 CA ILE 165 71.076 35.563 -20.122 1.00 1.00 ATOM 104 CA LYS 166 69.634 38.952 -19.098 1.00 1.00 ATOM 105 CA GLY 167 66.767 39.059 -16.571 1.00 1.00 ATOM 106 CA ILE 168 64.038 41.109 -14.842 1.00 1.00 ATOM 107 CA LEU 169 63.163 40.415 -11.207 1.00 1.00 ATOM 108 CA ASN 170 60.152 41.314 -9.094 1.00 1.00 ATOM 109 CA PHE 171 59.858 43.472 -6.026 1.00 1.00 ATOM 110 CA ALA 172 60.348 40.781 -3.373 1.00 1.00 ATOM 111 CA PRO 173 64.030 40.442 -4.334 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:40:18 2002 Date: Fri, 23 Aug 2002 17:40:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 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 Fri Aug 23 17:12:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_263795_32944 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS007_5 Current information on models submitted in prediction T0193TS007 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_5 PIN_263795_32944 6269-7633-6117 08/23/02 17:12:23 casp5@bialko.llnl.gov T0193TS007_2 PIN_231907_32938 6269-7633-6117 08/23/02 17:09:35 casp5@bialko.llnl.gov T0193TS007_3 PIN_226083_32936 6269-7633-6117 08/23/02 17:08:54 casp5@bialko.llnl.gov T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 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 T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS007_1 PIN_214572_32933 6269-7633-6117 08/23/02 17:07:55 casp5@bialko.llnl.gov T0193TS007_2 PIN_231907_32938 6269-7633-6117 08/23/02 17:09:35 casp5@bialko.llnl.gov T0193TS007_3 PIN_226083_32936 6269-7633-6117 08/23/02 17:08:54 casp5@bialko.llnl.gov T0193TS007_4 PIN_213241_32932 6269-7633-6117 08/23/02 17:07:35 casp5@bialko.llnl.gov T0193TS007_5 PIN_263795_32944 6269-7633-6117 08/23/02 17:12:23 casp5@bialko.llnl.gov T0193SS007_1 PIN_554695_28456 6269-7633-6117 08/19/02 21:42:10 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 T0193 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1GAD_O # Loading PARENT structure: 1gad (chain: O) # Number of residues in PARENT structure: 327 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue F 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # IMPORTANT NOTE! Not complete main chain atoms for residue L 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 179 # IMPORTANT NOTE! Not complete main chain atoms for residue K 180 # IMPORTANT NOTE! Not complete main chain atoms for residue E 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue N 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue F 189 # IMPORTANT NOTE! Not complete main chain atoms for residue L 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue G 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue T 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue S 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 119 # Total number of atoms in model: 119 # Number of atoms with 1.0 occupancy: 119 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 119 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1GAD_O ATOM 1 CA TRP 81 27.150 85.085 8.905 1.00 1.00 ATOM 2 CA GLY 82 26.747 86.974 12.167 1.00 1.00 ATOM 3 CA LEU 83 23.200 86.459 13.423 1.00 1.00 ATOM 4 CA CYS 84 21.260 88.166 16.171 1.00 1.00 ATOM 5 CA ILE 85 18.254 86.481 17.778 1.00 1.00 ATOM 6 CA VAL 86 15.253 88.494 18.918 1.00 1.00 ATOM 7 CA GLY 87 13.019 86.434 21.199 1.00 1.00 ATOM 8 CA MET 88 14.784 83.700 23.126 1.00 1.00 ATOM 9 CA GLY 89 11.745 81.468 23.371 1.00 1.00 ATOM 10 CA ARG 90 11.355 77.865 22.217 1.00 1.00 ATOM 11 CA LEU 91 12.301 78.654 18.597 1.00 1.00 ATOM 12 CA GLY 92 14.905 81.254 19.547 1.00 1.00 ATOM 13 CA SER 93 16.542 78.738 21.881 1.00 1.00 ATOM 14 CA ALA 94 16.454 75.803 19.439 1.00 1.00 ATOM 15 CA LEU 95 17.793 78.018 16.622 1.00 1.00 ATOM 16 CA ALA 96 20.625 78.896 19.018 1.00 1.00 ATOM 17 CA ASP 97 21.426 75.253 19.718 1.00 1.00 ATOM 18 CA TYR 98 21.275 74.288 16.016 1.00 1.00 ATOM 19 CA PRO 99 23.545 77.209 15.098 1.00 1.00 ATOM 20 CA GLY 100 26.258 75.748 17.353 1.00 1.00 ATOM 21 CA PHE 101 26.525 72.835 14.931 1.00 1.00 ATOM 22 CA GLY 102 27.053 75.132 11.930 1.00 1.00 ATOM 23 CA GLU 103 30.376 76.561 10.797 1.00 1.00 ATOM 24 CA SER 104 28.773 79.130 8.524 1.00 1.00 ATOM 25 CA PHE 105 26.405 80.859 10.940 1.00 1.00 ATOM 26 CA GLU 106 27.420 82.538 14.173 1.00 1.00 ATOM 27 CA LEU 107 25.105 83.946 16.868 1.00 1.00 ATOM 28 CA ARG 108 26.603 87.086 18.397 1.00 1.00 ATOM 29 CA GLY 109 23.691 88.723 20.228 1.00 1.00 ATOM 30 CA PHE 110 20.372 87.824 21.856 1.00 1.00 ATOM 31 CA PHE 111 17.433 89.983 22.904 1.00 1.00 ATOM 32 CA ASP 112 14.446 89.186 25.103 1.00 1.00 ATOM 57 CA VAL 113 27.382 78.635 29.343 1.00 1.00 ATOM 58 CA ASP 114 28.498 81.335 31.787 1.00 1.00 ATOM 59 CA PRO 115 27.312 84.841 32.594 1.00 1.00 ATOM 60 CA GLU 116 29.971 87.568 32.828 1.00 1.00 ATOM 61 CA LYS 117 29.171 91.285 33.093 1.00 1.00 ATOM 62 CA VAL 118 25.521 90.812 32.179 1.00 1.00 ATOM 63 CA GLY 119 26.449 88.920 29.015 1.00 1.00 ATOM 64 CA ARG 120 26.581 85.273 28.056 1.00 1.00 ATOM 65 CA PRO 121 29.727 83.336 27.324 1.00 1.00 ATOM 66 CA VAL 122 28.745 80.229 25.431 1.00 1.00 ATOM 67 CA ARG 123 31.569 77.839 24.634 1.00 1.00 ATOM 68 CA GLY 124 34.019 80.674 25.225 1.00 1.00 ATOM 69 CA GLY 125 32.374 83.151 22.842 1.00 1.00 ATOM 70 CA VAL 126 30.862 86.355 24.252 1.00 1.00 ATOM 71 CA ILE 127 27.249 86.938 23.253 1.00 1.00 ATOM 72 CA GLU 128 25.751 90.368 23.769 1.00 1.00 ATOM 73 CA HIS 129 22.555 90.192 25.787 1.00 1.00 ATOM 74 CA VAL 130 19.804 92.824 25.743 1.00 1.00 ATOM 75 CA ASP 131 16.255 93.491 26.947 1.00 1.00 ATOM 76 CA LEU 132 14.857 96.042 24.464 1.00 1.00 ATOM 77 CA LEU 133 11.102 95.727 23.991 1.00 1.00 ATOM 78 CA PRO 134 11.358 97.844 20.828 1.00 1.00 ATOM 79 CA GLN 135 13.270 96.450 17.794 1.00 1.00 ATOM 80 CA ARG 136 14.433 99.914 16.764 1.00 1.00 ATOM 85 CA VAL 137 25.342 97.792 14.387 1.00 1.00 ATOM 86 CA PRO 138 27.667 97.480 17.397 1.00 1.00 ATOM 87 CA GLY 139 27.734 93.697 17.415 1.00 1.00 ATOM 88 CA ARG 140 27.988 93.374 13.629 1.00 1.00 ATOM 89 CA ILE 141 24.745 91.497 12.978 1.00 1.00 ATOM 90 CA GLU 142 24.130 90.581 9.333 1.00 1.00 ATOM 91 CA ILE 143 20.798 88.761 9.664 1.00 1.00 ATOM 92 CA ALA 144 18.190 88.811 12.444 1.00 1.00 ATOM 93 CA LEU 145 16.132 85.775 13.411 1.00 1.00 ATOM 94 CA LEU 146 12.921 87.512 14.458 1.00 1.00 ATOM 95 CA THR 147 11.382 84.981 16.852 1.00 1.00 ATOM 96 CA VAL 148 9.169 86.963 19.239 1.00 1.00 ATOM 97 CA PRO 149 6.089 86.348 17.137 1.00 1.00 ATOM 98 CA ARG 150 5.133 89.996 17.574 1.00 1.00 ATOM 99 CA GLU 151 6.721 91.578 14.509 1.00 1.00 ATOM 100 CA ALA 152 5.343 89.649 11.536 1.00 1.00 ATOM 101 CA ALA 153 5.005 92.546 9.082 1.00 1.00 ATOM 102 CA GLN 154 7.447 94.618 7.050 1.00 1.00 ATOM 103 CA LYS 155 6.499 97.715 9.025 1.00 1.00 ATOM 104 CA ALA 156 7.515 96.248 12.393 1.00 1.00 ATOM 105 CA ALA 157 10.272 93.881 11.300 1.00 1.00 ATOM 106 CA ASP 158 11.942 96.680 9.327 1.00 1.00 ATOM 107 CA LEU 159 12.867 98.340 12.642 1.00 1.00 ATOM 108 CA LEU 160 15.713 95.807 12.746 1.00 1.00 ATOM 109 CA VAL 161 17.038 97.242 9.449 1.00 1.00 ATOM 110 CA ALA 162 16.763 100.705 10.970 1.00 1.00 ATOM 111 CA ALA 163 18.648 99.287 13.966 1.00 1.00 ATOM 112 CA GLY 164 21.570 98.267 11.785 1.00 1.00 ATOM 113 CA ILE 165 20.742 94.761 10.578 1.00 1.00 ATOM 114 CA LYS 166 21.077 93.944 6.873 1.00 1.00 ATOM 115 CA GLY 167 18.321 91.315 6.613 1.00 1.00 ATOM 116 CA ILE 168 15.534 89.755 8.685 1.00 1.00 ATOM 117 CA LEU 169 14.016 86.238 8.775 1.00 1.00 ATOM 118 CA ASN 170 10.654 85.972 10.563 1.00 1.00 ATOM 119 CA PHE 171 10.209 82.646 12.380 1.00 1.00 ATOM 120 CA ALA 172 6.505 82.605 11.663 1.00 1.00 ATOM 121 CA PRO 173 4.114 83.278 8.765 1.00 1.00 ATOM 122 CA VAL 174 3.962 86.929 7.742 1.00 1.00 ATOM 0 CA VAL 175 0.698 88.721 8.445 1.00 1.00 ATOM 123 CA LEU 176 1.230 91.047 5.484 1.00 1.00 ATOM 124 CA GLU 177 2.704 90.302 2.042 1.00 1.00 ATOM 125 CA VAL 178 6.273 89.670 3.195 1.00 1.00 ATOM 126 CA PRO 179 7.257 86.732 0.956 1.00 1.00 ATOM 127 CA LYS 180 7.436 83.263 2.497 1.00 1.00 ATOM 128 CA GLU 181 10.052 80.710 1.536 1.00 1.00 ATOM 129 CA VAL 182 10.015 77.012 2.360 1.00 1.00 ATOM 130 CA ALA 183 13.131 74.887 1.754 1.00 1.00 ATOM 131 CA VAL 184 12.299 72.241 -0.827 1.00 1.00 ATOM 132 CA GLU 185 9.388 74.272 -2.226 1.00 1.00 ATOM 133 CA ASN 186 10.558 77.736 -3.380 1.00 1.00 ATOM 134 CA VAL 187 13.976 78.768 -2.042 1.00 1.00 ATOM 135 CA ASP 188 14.889 79.075 -5.740 1.00 1.00 ATOM 136 CA PHE 189 12.364 81.905 -6.042 1.00 1.00 ATOM 137 CA LEU 190 14.222 84.188 -3.638 1.00 1.00 ATOM 138 CA ALA 191 14.856 87.510 -5.399 1.00 1.00 ATOM 0 CA GLY 192 16.956 89.638 -3.064 1.00 1.00 ATOM 141 CA LEU 193 14.236 90.630 -0.572 1.00 1.00 ATOM 142 CA THR 194 15.654 91.883 2.742 1.00 1.00 ATOM 143 CA ARG 195 12.763 90.716 4.952 1.00 1.00 ATOM 144 CA LEU 196 11.458 87.181 4.400 1.00 1.00 ATOM 145 CA SER 197 9.397 84.663 6.343 1.00 1.00 ATOM 146 CA PHE 198 10.127 80.981 6.879 1.00 1.00 ATOM 147 CA ALA 199 6.391 80.234 7.028 1.00 1.00 TER END ################################ # # # END # # # ################################