From mailer@bialko.llnl.gov Fri Jul 19 15:54:08 2002 Date: Fri, 19 Jul 2002 15:54:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 19 15:26:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_381158_12778 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157SS007_1 Current information on models submitted in prediction T0157SS007 MODEL_INDEX PIN CODE DATE E-mail T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0157 MODEL_INDEX PIN CODE DATE E-mail T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0157 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: 138 # Number of residues with nonzero confidence: 138 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0157 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-2255.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-21882//target-align-21882.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 29.2543 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-2255.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc54.28310/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: Wed Jul 17 16:04:44 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-21882//target-align-21882.a2m METHOD METHOD guide seq name: seed-seqs-2255.a2m(1), 138 bases, BBE7D1C3 checksum. METHOD ###end 0 MODEL 1 M C 0.683 S C 0.633 G C 0.504 T E 0.481 L E 0.567 L E 0.579 A E 0.541 F E 0.511 D E 0.436 F C 0.541 G C 0.644 T C 0.559 K C 0.417 S E 0.533 I E 0.581 G E 0.547 V E 0.568 A E 0.559 V E 0.528 G E 0.407 Q C 0.555 R C 0.513 I C 0.44 T C 0.436 G C 0.426 T C 0.399 A C 0.422 R C 0.486 P C 0.499 L C 0.455 P C 0.406 A E 0.377 I E 0.394 K E 0.365 A C 0.368 Q C 0.489 D C 0.555 G C 0.546 T C 0.498 P H 0.446 D H 0.489 W H 0.759 N H 0.78 I H 0.784 I H 0.792 E H 0.789 R H 0.787 L H 0.773 L H 0.756 K H 0.73 E H 0.68 W H 0.45 Q C 0.628 P C 0.594 D C 0.47 E E 0.667 I E 0.756 I E 0.767 V E 0.693 G E 0.481 L C 0.609 P C 0.665 L C 0.611 N C 0.641 M C 0.647 D C 0.694 G C 0.696 T C 0.663 E C 0.49 Q C 0.452 P H 0.577 L H 0.644 T H 0.698 A H 0.728 R H 0.739 A H 0.767 R H 0.786 K H 0.787 F H 0.777 A H 0.771 N H 0.774 R H 0.767 I H 0.744 H H 0.704 G H 0.677 R H 0.602 F C 0.444 G C 0.621 V C 0.549 E E 0.402 V E 0.581 K E 0.595 L E 0.561 H E 0.436 D C 0.491 E C 0.515 R C 0.466 L H 0.493 S H 0.521 T H 0.667 V H 0.734 E H 0.751 A H 0.765 R H 0.767 S H 0.761 G H 0.741 L H 0.737 F H 0.721 E H 0.699 Q H 0.614 G C 0.593 G C 0.581 Y C 0.577 R H 0.54 A H 0.556 L H 0.571 N H 0.574 K H 0.584 G H 0.504 K H 0.578 V H 0.66 D H 0.708 S H 0.782 A H 0.798 S H 0.8 A H 0.805 V H 0.786 I H 0.782 I H 0.774 L H 0.787 E H 0.775 S H 0.758 Y H 0.739 F H 0.714 E H 0.661 Q H 0.605 G C 0.502 Y C 0.678 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:10:08 2002 Date: Wed, 7 Aug 2002 04:10:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:42:09 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_544039_19158 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS007_1 Current information on models submitted in prediction T0157TS007 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_1 PIN_544039_19158 6269-7633-6117 08/07/02 03:42:09 casp5@bialko.llnl.gov T0157TS007_4 PIN_523926_19152 6269-7633-6117 08/07/02 03:40:22 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_1 PIN_544039_19158 6269-7633-6117 08/07/02 03:42:09 casp5@bialko.llnl.gov T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 casp5@bialko.llnl.gov T0157TS007_4 PIN_523926_19152 6269-7633-6117 08/07/02 03:40:22 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1DFO_A # Loading PARENT structure: 1dfo (chain: A) # Number of residues in PARENT structure: 416 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 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 D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 51 # Total number of atoms in model: 51 # Number of atoms with 1.0 occupancy: 51 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 51 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1DFO_A ATOM 149 CA GLN 36 -2.662 75.365 32.176 1.00 1.00 ATOM 150 CA ASP 37 -3.033 78.680 30.328 1.00 1.00 ATOM 151 CA GLY 38 -0.991 80.347 33.047 1.00 1.00 ATOM 152 CA THR 39 -3.756 82.467 34.573 1.00 1.00 ATOM 153 CA PRO 40 -5.755 82.547 37.781 1.00 1.00 ATOM 154 CA ASP 41 -8.991 80.576 37.492 1.00 1.00 ATOM 155 CA TRP 42 -11.460 82.633 39.498 1.00 1.00 ATOM 156 CA ASN 43 -13.992 79.850 39.151 1.00 1.00 ATOM 157 CA ILE 44 -11.734 77.379 40.938 1.00 1.00 ATOM 158 CA ILE 45 -10.770 80.088 43.419 1.00 1.00 ATOM 159 CA GLU 46 -14.430 80.592 44.288 1.00 1.00 ATOM 160 CA ARG 47 -14.913 76.849 44.750 1.00 1.00 ATOM 161 CA LEU 48 -12.005 76.646 47.185 1.00 1.00 ATOM 162 CA LEU 49 -13.251 79.722 49.028 1.00 1.00 ATOM 163 CA LYS 50 -16.710 78.237 49.464 1.00 1.00 ATOM 164 CA GLU 51 -15.348 74.851 50.436 1.00 1.00 ATOM 165 CA TRP 52 -12.667 75.843 52.937 1.00 1.00 ATOM 166 CA GLN 53 -14.345 79.030 54.135 1.00 1.00 ATOM 167 CA PRO 54 -11.027 80.866 54.756 1.00 1.00 ATOM 168 CA GLU 56 -11.002 83.841 57.109 1.00 1.00 ATOM 169 CA ILE 57 -8.751 85.680 54.675 1.00 1.00 ATOM 170 CA ILE 58 -7.982 85.515 50.961 1.00 1.00 ATOM 171 CA VAL 59 -4.620 86.835 49.767 1.00 1.00 ATOM 172 CA GLY 60 -4.231 88.455 46.370 1.00 1.00 ATOM 173 CA PRO 62 -0.794 89.403 45.127 1.00 1.00 ATOM 174 CA LEU 63 2.295 87.736 43.752 1.00 1.00 ATOM 175 CA ASN 64 6.073 87.741 43.324 1.00 1.00 ATOM 176 CA MET 65 6.181 86.051 39.921 1.00 1.00 ATOM 177 CA ASP 66 2.891 86.321 38.019 1.00 1.00 ATOM 178 CA GLY 67 2.792 88.315 34.765 1.00 1.00 ATOM 179 CA THR 68 -0.960 88.787 34.486 1.00 1.00 ATOM 180 CA GLU 69 -3.556 91.270 35.695 1.00 1.00 ATOM 181 CA GLN 70 -5.417 90.185 38.809 1.00 1.00 ATOM 182 CA PRO 71 -9.115 91.034 38.981 1.00 1.00 ATOM 183 CA THR 73 -9.183 92.672 42.424 1.00 1.00 ATOM 184 CA ALA 74 -12.917 93.388 42.254 1.00 1.00 ATOM 185 CA ARG 75 -13.673 89.769 41.395 1.00 1.00 ATOM 186 CA ALA 76 -11.604 88.608 44.362 1.00 1.00 ATOM 187 CA ARG 77 -13.479 91.011 46.625 1.00 1.00 ATOM 188 CA LYS 78 -16.753 89.458 45.466 1.00 1.00 ATOM 189 CA PHE 79 -15.498 85.991 46.326 1.00 1.00 ATOM 190 CA ALA 80 -14.325 87.235 49.718 1.00 1.00 ATOM 191 CA ASN 81 -17.643 88.907 50.433 1.00 1.00 ATOM 192 CA ARG 82 -19.619 85.800 49.529 1.00 1.00 ATOM 193 CA ILE 83 -18.033 84.065 52.526 1.00 1.00 ATOM 194 CA HIS 84 -17.386 87.076 54.725 1.00 1.00 ATOM 195 CA GLY 85 -13.615 86.773 54.433 1.00 1.00 ATOM 196 CA ARG 86 -11.034 89.571 54.385 1.00 1.00 ATOM 197 CA PHE 87 -9.411 90.359 51.059 1.00 1.00 ATOM 198 CA GLY 88 -5.749 91.148 51.675 1.00 1.00 ATOM 199 CA VAL 89 -3.760 92.336 48.663 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:01:18 2002 Date: Wed, 7 Aug 2002 04:01:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:33:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_454169_19128 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS007_2 Current information on models submitted in prediction T0157TS007 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 casp5@bialko.llnl.gov T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1FC4_A # Loading PARENT structure: 1fc4 (chain: A) # Number of residues in PARENT structure: 389 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 31 # Total number of atoms in model: 31 # Number of atoms with 1.0 occupancy: 31 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 31 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1FC4_A ATOM 11 CA PRO 40 16.774 72.630 18.842 1.00 1.00 ATOM 12 CA ASP 41 16.982 68.889 18.209 1.00 1.00 ATOM 159 CA ASN 43 27.167 31.022 8.335 1.00 1.00 ATOM 160 CA ILE 44 27.799 33.838 10.807 1.00 1.00 ATOM 161 CA ILE 45 25.479 32.288 13.388 1.00 1.00 ATOM 162 CA GLU 46 27.631 29.154 13.275 1.00 1.00 ATOM 163 CA ARG 47 30.825 31.211 13.495 1.00 1.00 ATOM 164 CA LEU 48 29.561 32.990 16.615 1.00 1.00 ATOM 165 CA LEU 49 28.427 29.717 18.197 1.00 1.00 ATOM 166 CA LYS 50 31.906 28.232 17.766 1.00 1.00 ATOM 167 CA GLU 51 33.369 31.488 19.087 1.00 1.00 ATOM 168 CA TRP 52 31.151 31.487 22.173 1.00 1.00 ATOM 174 CA GLN 53 28.616 27.645 29.856 1.00 1.00 ATOM 175 CA PRO 54 25.035 28.001 28.662 1.00 1.00 ATOM 176 CA ASP 55 24.478 29.508 25.224 1.00 1.00 ATOM 177 CA GLU 56 21.247 30.989 23.896 1.00 1.00 ATOM 178 CA ILE 57 20.349 32.093 20.377 1.00 1.00 ATOM 179 CA ILE 58 17.839 34.960 20.303 1.00 1.00 ATOM 180 CA VAL 59 15.845 35.896 17.221 1.00 1.00 ATOM 181 CA GLY 60 12.668 37.580 16.018 1.00 1.00 ATOM 182 CA LEU 61 10.280 34.998 14.557 1.00 1.00 ATOM 183 CA PRO 62 9.440 37.640 11.984 1.00 1.00 ATOM 184 CA LEU 63 11.571 40.752 11.486 1.00 1.00 ATOM 185 CA ASN 64 8.878 43.463 11.734 1.00 1.00 ATOM 187 CA ASP 66 11.290 43.846 6.794 1.00 1.00 ATOM 188 CA GLY 67 8.532 41.237 6.536 1.00 1.00 ATOM 189 CA THR 68 11.127 38.464 6.753 1.00 1.00 ATOM 190 CA GLU 69 10.366 35.162 8.487 1.00 1.00 ATOM 191 CA GLN 70 13.325 33.686 10.379 1.00 1.00 ATOM 192 CA PRO 71 15.050 30.504 9.193 1.00 1.00 ATOM 193 CA LEU 72 14.249 28.517 12.330 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:11:18 2002 Date: Wed, 7 Aug 2002 04:11:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:43:39 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_561196_19163 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS007_3 Current information on models submitted in prediction T0157TS007 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_3 PIN_561196_19163 6269-7633-6117 08/07/02 03:43:39 casp5@bialko.llnl.gov T0157TS007_1 PIN_544039_19158 6269-7633-6117 08/07/02 03:42:09 casp5@bialko.llnl.gov T0157TS007_4 PIN_523926_19152 6269-7633-6117 08/07/02 03:40:22 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_1 PIN_544039_19158 6269-7633-6117 08/07/02 03:42:09 casp5@bialko.llnl.gov T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 casp5@bialko.llnl.gov T0157TS007_3 PIN_561196_19163 6269-7633-6117 08/07/02 03:43:39 casp5@bialko.llnl.gov T0157TS007_4 PIN_523926_19152 6269-7633-6117 08/07/02 03:40:22 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1AM2 # Loading PARENT structure: 1am2 (chain: ) # Number of residues in PARENT structure: 180 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue G 3 # IMPORTANT NOTE! Not complete main chain atoms for residue T 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue F 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue T 12 # IMPORTANT NOTE! Not complete main chain atoms for residue K 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue V 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue V 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue P 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue P 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue K 34 # IMPORTANT NOTE! Not complete main chain atoms for residue A 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue G 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue E 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue R 114 # IMPORTANT NOTE! Not complete main chain atoms for residue A 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue N 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue K 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue S 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue S 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue F 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 136 # IMPORTANT NOTE! Not complete main chain atoms for residue G 137 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 138 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 113 # Total number of atoms in model: 113 # Number of atoms with 1.0 occupancy: 113 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 113 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1AM2 ATOM 3 CA MET 1 -1.184 36.229 23.792 1.00 1.00 ATOM 4 CA SER 2 1.813 36.320 26.151 1.00 1.00 ATOM 5 CA GLY 3 0.343 39.130 28.245 1.00 1.00 ATOM 6 CA THR 4 -2.718 37.204 29.422 1.00 1.00 ATOM 7 CA LEU 5 -2.701 36.811 33.160 1.00 1.00 ATOM 8 CA LEU 6 -3.214 33.203 34.248 1.00 1.00 ATOM 9 CA ALA 7 -5.131 33.066 37.535 1.00 1.00 ATOM 10 CA PHE 8 -3.330 31.101 40.258 1.00 1.00 ATOM 11 CA ASP 9 -4.467 30.286 43.800 1.00 1.00 ATOM 12 CA PHE 10 -4.320 32.802 46.681 1.00 1.00 ATOM 13 CA GLY 11 -5.199 35.801 44.526 1.00 1.00 ATOM 14 CA THR 12 -1.888 35.345 42.697 1.00 1.00 ATOM 15 CA LYS 13 -1.499 35.415 38.874 1.00 1.00 ATOM 16 CA SER 14 1.232 35.168 36.229 1.00 1.00 ATOM 33 CA ILE 15 5.572 22.346 33.888 1.00 1.00 ATOM 34 CA GLY 16 3.956 21.605 37.273 1.00 1.00 ATOM 35 CA VAL 17 1.749 24.601 38.030 1.00 1.00 ATOM 36 CA ALA 18 -1.368 24.911 40.102 1.00 1.00 ATOM 37 CA VAL 19 -3.862 27.088 38.266 1.00 1.00 ATOM 38 CA GLY 20 -7.489 28.060 38.785 1.00 1.00 ATOM 39 CA GLN 21 -10.121 26.156 36.853 1.00 1.00 ATOM 40 CA ARG 22 -13.554 27.149 35.551 1.00 1.00 ATOM 41 CA THR 26 -14.893 27.593 39.135 1.00 1.00 ATOM 42 CA ALA 27 -11.864 29.287 40.695 1.00 1.00 ATOM 43 CA ARG 28 -10.674 25.963 42.133 1.00 1.00 ATOM 44 CA PRO 29 -6.879 24.911 41.925 1.00 1.00 ATOM 45 CA LEU 30 -6.169 22.478 39.186 1.00 1.00 ATOM 46 CA PRO 31 -2.929 21.133 37.658 1.00 1.00 ATOM 47 CA ALA 32 -1.481 22.489 34.404 1.00 1.00 ATOM 48 CA ILE 33 1.213 20.166 33.028 1.00 1.00 ATOM 49 CA LYS 34 2.346 21.646 29.649 1.00 1.00 ATOM 50 CA ALA 35 3.172 25.212 28.439 1.00 1.00 ATOM 51 CA GLN 36 3.048 25.403 24.601 1.00 1.00 ATOM 52 CA ASP 37 4.574 28.369 22.758 1.00 1.00 ATOM 53 CA GLY 38 2.906 27.926 19.361 1.00 1.00 ATOM 81 CA THR 39 -25.516 31.231 25.089 1.00 1.00 ATOM 82 CA PRO 40 -29.314 31.122 24.690 1.00 1.00 ATOM 86 CA ASP 41 -32.174 27.792 28.128 1.00 1.00 ATOM 87 CA TRP 42 -29.108 29.866 29.141 1.00 1.00 ATOM 88 CA ASN 43 -26.317 27.403 28.480 1.00 1.00 ATOM 89 CA ILE 44 -22.565 27.751 29.243 1.00 1.00 ATOM 90 CA ILE 45 -20.830 26.846 25.921 1.00 1.00 ATOM 91 CA GLU 46 -17.429 27.220 24.316 1.00 1.00 ATOM 92 CA ARG 47 -17.447 29.713 21.400 1.00 1.00 ATOM 93 CA LEU 48 -14.321 30.367 19.322 1.00 1.00 ATOM 94 CA LEU 49 -12.935 33.902 19.226 1.00 1.00 ATOM 95 CA LYS 50 -13.760 33.668 15.524 1.00 1.00 ATOM 96 CA GLU 51 -17.480 33.566 16.417 1.00 1.00 ATOM 97 CA TRP 52 -17.794 36.036 19.229 1.00 1.00 ATOM 98 CA GLN 53 -19.741 39.169 18.478 1.00 1.00 ATOM 99 CA PRO 54 -20.558 42.277 20.478 1.00 1.00 ATOM 100 CA ASP 55 -23.527 41.504 22.699 1.00 1.00 ATOM 101 CA GLU 56 -22.392 37.926 23.418 1.00 1.00 ATOM 102 CA ILE 57 -21.815 37.201 27.088 1.00 1.00 ATOM 103 CA ILE 58 -18.425 35.877 28.026 1.00 1.00 ATOM 104 CA VAL 59 -18.173 34.044 31.439 1.00 1.00 ATOM 105 CA GLY 60 -15.869 35.782 33.911 1.00 1.00 ATOM 106 CA LEU 61 -14.409 33.933 36.934 1.00 1.00 ATOM 107 CA PRO 62 -14.366 36.521 39.753 1.00 1.00 ATOM 108 CA LEU 63 -11.650 34.772 41.719 1.00 1.00 ATOM 109 CA ASN 64 -9.227 35.995 39.085 1.00 1.00 ATOM 110 CA MET 65 -9.424 39.374 40.848 1.00 1.00 ATOM 111 CA ASP 66 -8.280 40.211 44.444 1.00 1.00 ATOM 130 CA GLY 67 -23.443 43.312 35.517 1.00 1.00 ATOM 131 CA THR 68 -26.793 42.572 37.177 1.00 1.00 ATOM 132 CA GLU 69 -27.894 38.932 37.024 1.00 1.00 ATOM 133 CA GLN 70 -27.604 35.805 34.894 1.00 1.00 ATOM 134 CA PRO 71 -28.854 37.070 31.593 1.00 1.00 ATOM 135 CA LEU 72 -32.137 35.240 30.694 1.00 1.00 ATOM 136 CA THR 73 -32.432 33.050 33.830 1.00 1.00 ATOM 137 CA ALA 74 -35.635 34.630 35.142 1.00 1.00 ATOM 138 CA ARG 75 -37.664 34.107 31.975 1.00 1.00 ATOM 139 CA ALA 76 -36.139 30.640 31.828 1.00 1.00 ATOM 140 CA ARG 77 -37.243 29.905 35.375 1.00 1.00 ATOM 141 CA LYS 78 -40.754 31.236 35.069 1.00 1.00 ATOM 142 CA PHE 79 -41.176 29.685 31.613 1.00 1.00 ATOM 143 CA ALA 80 -39.526 26.342 32.531 1.00 1.00 ATOM 144 CA ASN 81 -38.668 25.952 36.274 1.00 1.00 ATOM 145 CA ARG 82 -40.391 22.614 36.598 1.00 1.00 ATOM 146 CA ILE 83 -37.985 21.128 34.131 1.00 1.00 ATOM 147 CA HIS 84 -36.322 18.510 36.406 1.00 1.00 ATOM 158 CA LEU 107 -22.552 30.327 41.329 1.00 1.00 ATOM 159 CA PHE 108 -21.352 33.529 43.091 1.00 1.00 ATOM 160 CA GLU 109 -17.938 33.276 41.506 1.00 1.00 ATOM 161 CA GLN 110 -19.348 33.889 37.939 1.00 1.00 ATOM 162 CA GLY 111 -19.901 37.212 36.248 1.00 1.00 ATOM 163 CA GLY 112 -21.381 37.678 32.737 1.00 1.00 ATOM 164 CA TYR 113 -19.570 40.418 30.786 1.00 1.00 ATOM 165 CA ARG 114 -21.132 41.798 27.629 1.00 1.00 ATOM 166 CA ALA 115 -18.823 41.759 24.629 1.00 1.00 ATOM 167 CA LEU 116 -18.285 45.224 23.165 1.00 1.00 ATOM 168 CA ASN 117 -15.884 44.375 20.353 1.00 1.00 ATOM 169 CA LYS 118 -13.643 41.711 18.811 1.00 1.00 ATOM 170 CA GLY 119 -10.835 43.572 16.948 1.00 1.00 ATOM 171 CA LYS 120 -7.800 42.418 14.947 1.00 1.00 ATOM 172 CA VAL 121 -4.733 42.589 17.094 1.00 1.00 ATOM 173 CA ASP 122 -2.041 41.655 14.634 1.00 1.00 ATOM 174 CA SER 123 0.323 38.730 14.490 1.00 1.00 ATOM 175 CA ALA 124 1.850 37.733 17.765 1.00 1.00 ATOM 176 CA SER 125 3.672 34.942 19.619 1.00 1.00 ATOM 177 CA ALA 126 0.900 32.878 21.112 1.00 1.00 ATOM 178 CA VAL 127 0.731 30.482 24.146 1.00 1.00 ATOM 179 CA ILE 128 -1.466 27.845 25.741 1.00 1.00 ATOM 180 CA ILE 129 -1.541 25.598 28.764 1.00 1.00 ATOM 181 CA LEU 130 -2.472 22.026 29.115 1.00 1.00 ATOM 182 CA GLU 131 -4.668 21.489 32.127 1.00 1.00 ATOM 183 CA SER 132 -5.278 18.088 33.632 1.00 1.00 ATOM 184 CA TYR 133 -9.041 18.233 33.645 1.00 1.00 ATOM 185 CA PHE 134 -11.905 16.796 31.641 1.00 1.00 ATOM 186 CA GLU 135 -13.081 20.358 31.209 1.00 1.00 ATOM 187 CA GLN 136 -9.628 21.651 30.078 1.00 1.00 ATOM 188 CA GLY 137 -10.272 25.205 31.192 1.00 1.00 ATOM 189 CA TYR 138 -8.151 27.874 32.791 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:08:08 2002 Date: Wed, 7 Aug 2002 04:08:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:40:22 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_523926_19152 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS007_4 Current information on models submitted in prediction T0157TS007 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_4 PIN_523926_19152 6269-7633-6117 08/07/02 03:40:22 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 casp5@bialko.llnl.gov T0157TS007_4 PIN_523926_19152 6269-7633-6117 08/07/02 03:40:22 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1K92_A # Loading PARENT structure: 1k92 (chain: A) # Number of residues in PARENT structure: 444 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue M 65 # IMPORTANT NOTE! Not complete main chain atoms for residue D 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue T 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue P 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue T 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue R 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue F 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue R 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue H 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 30 # Total number of atoms in model: 30 # Number of atoms with 1.0 occupancy: 30 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 30 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1K92_A ATOM 243 CA GLY 60 20.082 14.507 67.128 1.00 1.00 ATOM 244 CA LEU 61 18.014 16.714 64.857 1.00 1.00 ATOM 245 CA PRO 62 18.874 20.449 64.518 1.00 1.00 ATOM 246 CA LEU 63 15.642 22.277 65.350 1.00 1.00 ATOM 247 CA ASN 64 16.425 25.847 66.385 1.00 1.00 ATOM 248 CA MET 65 18.887 28.597 65.682 1.00 1.00 ATOM 249 CA ASP 66 18.961 31.622 67.942 1.00 1.00 ATOM 250 CA GLY 67 15.871 30.347 69.744 1.00 1.00 ATOM 251 CA THR 68 13.802 30.151 66.566 1.00 1.00 ATOM 252 CA GLU 69 12.291 27.091 64.896 1.00 1.00 ATOM 253 CA GLN 70 11.558 26.560 61.202 1.00 1.00 ATOM 254 CA PRO 71 8.817 25.304 58.914 1.00 1.00 ATOM 255 CA LEU 72 11.170 22.629 57.542 1.00 1.00 ATOM 256 CA THR 73 14.837 21.542 57.507 1.00 1.00 ATOM 257 CA ALA 74 15.640 23.379 54.262 1.00 1.00 ATOM 258 CA ARG 75 14.716 26.687 55.909 1.00 1.00 ATOM 259 CA ALA 76 16.807 25.729 58.935 1.00 1.00 ATOM 260 CA ARG 77 19.862 24.997 56.773 1.00 1.00 ATOM 261 CA LYS 78 19.461 28.226 54.812 1.00 1.00 ATOM 262 CA PHE 79 19.515 30.148 58.129 1.00 1.00 ATOM 263 CA ALA 80 22.543 28.178 59.358 1.00 1.00 ATOM 264 CA ASN 81 24.308 29.192 56.148 1.00 1.00 ATOM 265 CA ARG 82 23.408 32.867 56.676 1.00 1.00 ATOM 266 CA ILE 83 24.756 32.891 60.226 1.00 1.00 ATOM 267 CA HIS 84 28.006 31.116 59.436 1.00 1.00 ATOM 268 CA GLY 85 28.356 33.027 56.192 1.00 1.00 ATOM 269 CA ARG 86 28.524 36.388 57.923 1.00 1.00 ATOM 270 CA PHE 87 31.775 35.193 59.476 1.00 1.00 ATOM 271 CA GLY 88 33.288 32.963 56.830 1.00 1.00 ATOM 272 CA VAL 89 32.948 29.998 59.215 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 04:06:40 2002 Date: Wed, 7 Aug 2002 04:06:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0157 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 03:38:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_506987_19147 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0157TS007_5 Current information on models submitted in prediction T0157TS007 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 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 T0157 MODEL_INDEX PIN CODE DATE E-mail T0157TS007_2 PIN_454169_19128 6269-7633-6117 08/07/02 03:33:24 casp5@bialko.llnl.gov T0157TS007_5 PIN_506987_19147 6269-7633-6117 08/07/02 03:38:54 casp5@bialko.llnl.gov T0157SS007_1 PIN_381158_12778 6269-7633-6117 07/19/02 15:26:41 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1TPL_A # Loading PARENT structure: 1tpl (chain: A) # Number of residues in PARENT structure: 426 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 38 # IMPORTANT NOTE! Not complete main chain atoms for residue T 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue D 41 # IMPORTANT NOTE! Not complete main chain atoms for residue W 42 # IMPORTANT NOTE! Not complete main chain atoms for residue N 43 # IMPORTANT NOTE! Not complete main chain atoms for residue I 44 # IMPORTANT NOTE! Not complete main chain atoms for residue I 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue E 51 # IMPORTANT NOTE! Not complete main chain atoms for residue W 52 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue E 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue G 60 # IMPORTANT NOTE! Not complete main chain atoms for residue L 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0157 # Total number of residues in target: 138 # Total number of residues in model: 28 # Total number of atoms in model: 28 # Number of atoms with 1.0 occupancy: 28 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 28 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0157 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1TPL_A ATOM 155 CA ASP 37 34.967 31.921 48.970 1.00 1.00 ATOM 156 CA GLY 38 36.836 28.720 50.005 1.00 1.00 ATOM 157 CA THR 39 39.940 30.477 51.411 1.00 1.00 ATOM 158 CA PRO 40 40.995 29.404 54.903 1.00 1.00 ATOM 159 CA ASP 41 40.706 32.012 57.681 1.00 1.00 ATOM 160 CA TRP 42 44.362 32.496 58.841 1.00 1.00 ATOM 161 CA ASN 43 43.307 33.958 62.247 1.00 1.00 ATOM 162 CA ILE 44 41.258 30.787 62.981 1.00 1.00 ATOM 163 CA ILE 45 44.123 28.535 61.770 1.00 1.00 ATOM 164 CA GLU 46 46.576 30.471 63.941 1.00 1.00 ATOM 165 CA ARG 47 44.097 30.261 66.868 1.00 1.00 ATOM 166 CA LEU 48 43.652 26.480 66.538 1.00 1.00 ATOM 167 CA LEU 49 47.424 26.087 66.451 1.00 1.00 ATOM 168 CA LYS 50 47.693 28.283 69.536 1.00 1.00 ATOM 169 CA GLU 51 45.162 26.456 71.741 1.00 1.00 ATOM 170 CA TRP 52 45.506 22.849 70.631 1.00 1.00 ATOM 171 CA GLN 53 49.232 22.742 69.827 1.00 1.00 ATOM 172 CA PRO 54 50.897 22.001 66.468 1.00 1.00 ATOM 173 CA ASP 55 51.607 18.466 67.730 1.00 1.00 ATOM 174 CA GLU 56 47.910 17.702 67.995 1.00 1.00 ATOM 175 CA ILE 57 47.177 18.760 64.416 1.00 1.00 ATOM 176 CA ILE 58 47.301 15.820 62.049 1.00 1.00 ATOM 177 CA VAL 59 47.263 18.091 59.022 1.00 1.00 ATOM 178 CA GLY 60 45.379 20.910 57.276 1.00 1.00 ATOM 179 CA LEU 61 43.169 19.721 54.444 1.00 1.00 ATOM 180 CA PRO 62 42.486 22.223 51.675 1.00 1.00 ATOM 181 CA LEU 63 40.024 21.240 48.960 1.00 1.00 ATOM 182 CA ASN 64 40.441 22.941 45.598 1.00 1.00 TER END ################################ # # # END # # # ################################