From mailer@bialko.llnl.gov Wed Jul 17 08:28:08 2002 Date: Wed, 17 Jul 2002 08:28:03 -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 Wed Jul 17 08:00:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_121298_12235 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155SS389_1 Current information on models submitted in prediction T0155SS389 MODEL_INDEX PIN CODE DATE E-mail T0155SS389_1 PIN_121298_12235 1549-8716-6404 07/17/02 08:00:46 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 T0155 MODEL_INDEX PIN CODE DATE E-mail T0155SS389_1 PIN_121298_12235 1549-8716-6404 07/17/02 08:00:46 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 T0155 AUTHOR 1549-8716-6404 # 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: 133 # Number of residues with nonzero confidence: 133 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0155 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0155.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0155.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0155.t2k.str.rdb (weight 1.53983) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from T0155.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0155 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0155.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 49 METHOD METHOD ============================================ METHOD Comments from T0155.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0155 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0155.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 49 METHOD METHOD ============================================ METHOD Comments from T0155.t2k.str.rdb METHOD ============================================ METHOD TARGET T0155 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0155.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 49 METHOD METHOD ============================================ MODEL 1 M C 0.94 A C 0.79 D C 0.69 R E 0.74 I E 0.92 E E 0.95 L E 0.92 R E 0.69 G C 0.49 L E 0.83 T E 0.95 V E 0.97 H E 0.96 G E 0.95 R E 0.91 H E 0.75 G C 0.55 V C 0.72 Y C 0.78 D H 0.65 H H 0.79 E H 0.85 R H 0.77 V H 0.65 A C 0.71 G C 0.96 Q C 0.92 R C 0.59 F E 0.82 V E 0.95 I E 0.97 D E 0.97 V E 0.96 T E 0.95 V E 0.93 W E 0.85 I E 0.72 D C 0.62 L C 0.49 A H 0.60 E H 0.69 A H 0.57 A C 0.54 N C 0.61 S C 0.68 D C 0.72 D C 0.70 L H 0.62 A H 0.68 D H 0.67 T H 0.50 Y C 0.51 D C 0.62 Y H 0.95 V H 0.97 R H 0.97 L H 0.97 A H 0.97 S H 0.97 R H 0.97 A H 0.97 A H 0.97 E H 0.97 I H 0.96 V H 0.92 A H 0.72 G C 0.69 P C 0.89 P C 0.65 R H 0.75 K H 0.79 L H 0.84 I H 0.96 E H 0.97 T H 0.97 V H 0.97 G H 0.97 A H 0.97 E H 0.97 I H 0.97 A H 0.96 D H 0.95 H H 0.92 V H 0.88 M H 0.61 D C 0.63 D C 0.87 Q C 0.90 R C 0.85 V C 0.64 H E 0.61 A E 0.91 V E 0.95 E E 0.97 V E 0.96 A E 0.96 V E 0.89 H E 0.60 K C 0.69 P C 0.88 Q C 0.90 A C 0.89 P C 0.87 I C 0.79 P C 0.75 Q C 0.70 T C 0.64 F C 0.59 D C 0.66 D C 0.68 V E 0.53 A E 0.78 V E 0.96 V E 0.97 I E 0.96 R E 0.93 R E 0.81 S E 0.53 R C 0.75 R C 0.88 G C 0.87 G C 0.83 R C 0.70 G E 0.51 W E 0.71 V E 0.78 V E 0.64 P C 0.60 A C 0.81 G C 0.86 G C 0.85 A C 0.83 V C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:12:08 2002 Date: Wed, 7 Aug 2002 02:12:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt02.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 01:44:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_568706_18773 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS189_1 Current information on models submitted in prediction T0155TS189 MODEL_INDEX PIN CODE DATE E-mail T0155TS189_1 PIN_568706_18773 5035-2079-5263 08/07/02 01:44:14 casp5@bialko.llnl.gov T0155TS189_3 PIN_557351_18771 5035-2079-5263 08/07/02 01:43:40 casp5@bialko.llnl.gov T0155TS189_2 PIN_527527_18760 5035-2079-5263 08/07/02 01:40:05 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 T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS189_1 PIN_568706_18773 5035-2079-5263 08/07/02 01:44:14 casp5@bialko.llnl.gov T0155TS189_2 PIN_527527_18760 5035-2079-5263 08/07/02 01:40:05 casp5@bialko.llnl.gov T0155TS189_3 PIN_557351_18771 5035-2079-5263 08/07/02 01:43:40 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 T0155 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1DHN # Loading PARENT structure: 1dhn (chain: ) # Number of residues in PARENT structure: 121 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue I 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0155 # Total number of residues in target: 133 # 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 T0155 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1DHN ATOM 1 CA MET 1 20.356 38.919 92.428 1.00 1.00 ATOM 2 CA ALA 2 21.469 37.506 89.042 1.00 1.00 ATOM 3 CA ASP 3 19.613 39.766 86.574 1.00 1.00 ATOM 4 CA ARG 4 21.685 41.540 83.945 1.00 1.00 ATOM 5 CA ILE 5 21.386 43.911 81.022 1.00 1.00 ATOM 6 CA GLU 6 23.970 43.251 78.280 1.00 1.00 ATOM 7 CA LEU 7 25.487 44.656 75.056 1.00 1.00 ATOM 8 CA ARG 8 27.529 42.112 73.113 1.00 1.00 ATOM 9 CA GLY 9 30.135 42.443 70.390 1.00 1.00 ATOM 10 CA LEU 10 30.006 46.231 69.999 1.00 1.00 ATOM 11 CA THR 11 32.664 47.084 67.427 1.00 1.00 ATOM 12 CA VAL 12 34.384 50.424 67.059 1.00 1.00 ATOM 13 CA HIS 13 37.287 51.513 64.891 1.00 1.00 ATOM 14 CA GLY 14 39.651 53.387 67.167 1.00 1.00 ATOM 15 CA ARG 15 43.264 54.515 67.539 1.00 1.00 ATOM 16 CA HIS 16 44.174 53.317 71.037 1.00 1.00 ATOM 17 CA GLY 17 47.400 51.457 71.711 1.00 1.00 ATOM 18 CA VAL 18 50.801 52.026 73.311 1.00 1.00 ATOM 19 CA TYR 19 52.451 51.848 69.854 1.00 1.00 ATOM 20 CA ASP 20 52.821 54.974 67.648 1.00 1.00 ATOM 21 CA HIS 21 51.958 52.961 64.547 1.00 1.00 ATOM 22 CA GLU 22 48.731 51.711 66.212 1.00 1.00 ATOM 23 CA ARG 23 47.645 55.297 66.961 1.00 1.00 ATOM 24 CA VAL 24 48.302 56.109 63.276 1.00 1.00 ATOM 25 CA ALA 25 46.585 53.109 61.613 1.00 1.00 ATOM 26 CA GLY 26 43.913 52.184 64.170 1.00 1.00 ATOM 27 CA GLN 27 42.095 48.838 64.416 1.00 1.00 ATOM 28 CA ARG 28 38.705 47.415 65.453 1.00 1.00 ATOM 29 CA PHE 29 38.011 47.127 69.205 1.00 1.00 ATOM 30 CA VAL 30 35.313 44.678 70.343 1.00 1.00 ATOM 31 CA ILE 31 33.442 45.527 73.578 1.00 1.00 ATOM 32 CA ASP 32 31.071 43.532 75.819 1.00 1.00 ATOM 33 CA VAL 33 29.285 45.323 78.644 1.00 1.00 ATOM 34 CA THR 34 27.274 43.451 81.292 1.00 1.00 ATOM 35 CA VAL 35 25.305 45.391 83.855 1.00 1.00 ATOM 36 CA TRP 36 24.012 44.003 87.149 1.00 1.00 ATOM 37 CA ILE 37 20.509 45.559 87.390 1.00 1.00 ATOM 38 CA ASP 38 17.422 44.360 89.328 1.00 1.00 ATOM 39 CA LEU 39 14.842 43.903 86.501 1.00 1.00 ATOM 40 CA ALA 40 11.785 42.751 88.506 1.00 1.00 ATOM 41 CA GLU 41 10.143 46.198 88.730 1.00 1.00 ATOM 42 CA ALA 42 10.387 46.626 84.921 1.00 1.00 ATOM 43 CA ALA 43 9.325 43.002 84.520 1.00 1.00 ATOM 44 CA ASN 44 6.166 43.891 86.433 1.00 1.00 ATOM 45 CA SER 45 5.478 47.345 85.013 1.00 1.00 ATOM 46 CA ASP 46 6.694 47.080 81.423 1.00 1.00 ATOM 47 CA ASP 47 7.497 50.799 81.785 1.00 1.00 ATOM 48 CA LEU 48 10.779 51.734 80.116 1.00 1.00 ATOM 49 CA ALA 49 11.485 54.151 82.965 1.00 1.00 ATOM 50 CA ASP 50 12.085 51.307 85.453 1.00 1.00 ATOM 51 CA THR 51 15.157 49.929 83.695 1.00 1.00 ATOM 52 CA TYR 52 18.403 51.075 82.092 1.00 1.00 ATOM 53 CA ASP 53 17.996 51.696 78.328 1.00 1.00 ATOM 54 CA TYR 54 20.615 49.759 76.225 1.00 1.00 ATOM 55 CA VAL 55 20.604 52.453 73.583 1.00 1.00 ATOM 56 CA ARG 56 21.904 55.056 76.046 1.00 1.00 ATOM 57 CA LEU 57 24.586 52.687 77.300 1.00 1.00 ATOM 58 CA ALA 58 25.802 52.000 73.713 1.00 1.00 ATOM 59 CA SER 59 26.056 55.757 73.156 1.00 1.00 ATOM 60 CA ARG 60 28.286 56.066 76.241 1.00 1.00 ATOM 61 CA ALA 61 30.535 53.198 75.221 1.00 1.00 ATOM 62 CA ALA 62 30.774 54.648 71.687 1.00 1.00 ATOM 63 CA GLU 63 31.734 58.175 72.858 1.00 1.00 ATOM 64 CA ILE 64 34.655 56.680 74.821 1.00 1.00 ATOM 65 CA VAL 65 35.713 54.061 72.223 1.00 1.00 ATOM 66 CA ALA 66 35.598 56.468 69.269 1.00 1.00 ATOM 67 CA GLY 67 37.025 59.428 71.215 1.00 1.00 ATOM 68 CA PRO 68 40.595 60.385 72.123 1.00 1.00 ATOM 69 CA PRO 69 43.178 57.618 71.717 1.00 1.00 ATOM 70 CA ARG 70 44.687 56.289 74.939 1.00 1.00 ATOM 71 CA LYS 71 47.395 53.722 75.509 1.00 1.00 ATOM 72 CA LEU 72 45.550 51.000 77.395 1.00 1.00 ATOM 73 CA ILE 73 42.450 48.886 77.112 1.00 1.00 ATOM 74 CA GLU 74 42.515 48.985 80.954 1.00 1.00 ATOM 75 CA THR 75 42.039 52.788 80.876 1.00 1.00 ATOM 76 CA VAL 76 39.279 52.668 78.252 1.00 1.00 ATOM 77 CA GLY 77 37.313 50.047 80.264 1.00 1.00 ATOM 78 CA ALA 78 37.881 52.009 83.512 1.00 1.00 ATOM 79 CA GLU 79 36.416 55.085 81.823 1.00 1.00 ATOM 80 CA ILE 80 33.384 53.109 80.498 1.00 1.00 ATOM 81 CA ALA 81 32.614 51.371 83.818 1.00 1.00 ATOM 82 CA ASP 82 32.985 54.674 85.596 1.00 1.00 ATOM 83 CA HIS 83 30.733 56.413 83.032 1.00 1.00 ATOM 84 CA VAL 84 27.946 53.819 83.352 1.00 1.00 ATOM 85 CA MET 85 28.154 53.586 87.153 1.00 1.00 ATOM 87 CA ASP 86 24.974 57.951 85.367 1.00 1.00 ATOM 88 CA ASP 87 22.801 54.976 86.394 1.00 1.00 ATOM 89 CA GLN 88 22.151 54.371 90.123 1.00 1.00 ATOM 90 CA ARG 89 20.190 51.184 89.306 1.00 1.00 ATOM 91 CA VAL 90 23.387 49.608 87.980 1.00 1.00 ATOM 92 CA HIS 91 24.803 47.749 90.980 1.00 1.00 ATOM 93 CA ALA 92 27.956 46.726 89.080 1.00 1.00 ATOM 94 CA VAL 93 29.505 47.099 85.584 1.00 1.00 ATOM 95 CA GLU 94 31.566 44.502 83.721 1.00 1.00 ATOM 96 CA VAL 95 33.527 45.730 80.719 1.00 1.00 ATOM 97 CA ALA 96 35.397 43.380 78.361 1.00 1.00 ATOM 98 CA VAL 97 37.516 44.866 75.535 1.00 1.00 ATOM 99 CA HIS 98 39.167 42.680 72.867 1.00 1.00 ATOM 100 CA LYS 99 41.748 43.574 70.244 1.00 1.00 ATOM 101 CA PRO 100 41.165 40.851 67.659 1.00 1.00 ATOM 102 CA GLN 101 44.026 42.182 65.525 1.00 1.00 ATOM 103 CA ALA 102 46.754 43.718 67.682 1.00 1.00 ATOM 104 CA PRO 103 50.404 44.160 66.466 1.00 1.00 ATOM 105 CA ILE 104 51.252 40.588 67.609 1.00 1.00 ATOM 106 CA PRO 105 52.964 38.360 64.958 1.00 1.00 ATOM 107 CA GLN 106 50.857 35.242 65.260 1.00 1.00 ATOM 108 CA THR 107 47.600 33.323 64.907 1.00 1.00 ATOM 109 CA PHE 108 44.960 33.855 67.546 1.00 1.00 ATOM 110 CA ASP 109 41.360 34.902 68.014 1.00 1.00 ATOM 111 CA ASP 110 41.950 38.001 70.181 1.00 1.00 ATOM 112 CA VAL 111 43.655 39.479 73.214 1.00 1.00 ATOM 113 CA ALA 112 42.225 41.836 75.794 1.00 1.00 ATOM 114 CA VAL 113 41.084 42.588 79.336 1.00 1.00 ATOM 115 CA VAL 114 37.987 42.393 81.443 1.00 1.00 ATOM 116 CA ILE 115 37.177 44.438 84.522 1.00 1.00 ATOM 117 CA ARG 116 34.335 44.423 87.033 1.00 1.00 ATOM 118 CA ARG 117 33.493 47.622 88.953 1.00 1.00 ATOM 119 CA SER 118 30.796 47.888 91.617 1.00 1.00 ATOM 120 CA ARG 119 28.733 51.087 91.621 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:07:41 2002 Date: Wed, 7 Aug 2002 02:07:35 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt02.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 01:40:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_527527_18760 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS189_2 Current information on models submitted in prediction T0155TS189 MODEL_INDEX PIN CODE DATE E-mail T0155TS189_2 PIN_527527_18760 5035-2079-5263 08/07/02 01:40:05 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 T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS189_2 PIN_527527_18760 5035-2079-5263 08/07/02 01:40:05 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 T0155 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1B9L_A # Loading PARENT structure: 1b9l (chain: A) # Number of residues in PARENT structure: 119 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue R 8 # IMPORTANT NOTE! Not complete main chain atoms for residue G 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue H 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue R 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue H 21 # IMPORTANT NOTE! Not complete main chain atoms for residue E 22 # IMPORTANT NOTE! Not complete main chain atoms for residue R 23 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue G 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue I 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue N 44 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue F 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue V 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue V 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue R 116 # IMPORTANT NOTE! Not complete main chain atoms for residue R 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue R 119 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 115 # Total number of atoms in model: 115 # Number of atoms with 1.0 occupancy: 115 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 115 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1B9L_A ATOM 6 CA ASP 3 -10.225 36.454 -27.397 1.00 1.00 ATOM 7 CA ARG 4 -8.647 34.609 -24.495 1.00 1.00 ATOM 8 CA ILE 5 -10.714 33.264 -21.655 1.00 1.00 ATOM 9 CA GLU 6 -8.944 32.078 -18.550 1.00 1.00 ATOM 10 CA LEU 7 -10.334 29.931 -15.799 1.00 1.00 ATOM 11 CA ARG 8 -7.879 30.584 -12.966 1.00 1.00 ATOM 12 CA GLY 9 -7.102 28.167 -10.147 1.00 1.00 ATOM 13 CA LEU 10 -10.087 25.860 -10.249 1.00 1.00 ATOM 14 CA THR 11 -9.434 23.943 -6.978 1.00 1.00 ATOM 15 CA VAL 12 -10.699 20.372 -6.878 1.00 1.00 ATOM 16 CA HIS 13 -9.936 17.089 -5.112 1.00 1.00 ATOM 17 CA GLY 14 -9.966 13.644 -6.724 1.00 1.00 ATOM 18 CA ARG 15 -8.025 10.365 -6.740 1.00 1.00 ATOM 19 CA HIS 16 -4.789 10.305 -8.758 1.00 1.00 ATOM 20 CA GLY 17 -2.295 7.477 -8.632 1.00 1.00 ATOM 21 CA VAL 18 -2.076 3.755 -8.050 1.00 1.00 ATOM 22 CA TYR 19 -0.303 3.659 -4.714 1.00 1.00 ATOM 23 CA ASP 20 -2.490 2.475 -1.789 1.00 1.00 ATOM 24 CA HIS 21 -2.474 5.957 -0.246 1.00 1.00 ATOM 25 CA GLU 22 -3.179 7.782 -3.508 1.00 1.00 ATOM 26 CA ARG 23 -6.165 5.495 -4.205 1.00 1.00 ATOM 27 CA VAL 24 -7.578 5.588 -0.666 1.00 1.00 ATOM 28 CA ALA 25 -7.343 9.370 -0.285 1.00 1.00 ATOM 29 CA GLY 26 -8.294 12.191 -2.579 1.00 1.00 ATOM 30 CA GLN 27 -5.622 14.756 -3.371 1.00 1.00 ATOM 31 CA ARG 28 -5.611 18.459 -4.004 1.00 1.00 ATOM 32 CA PHE 29 -5.144 19.590 -7.611 1.00 1.00 ATOM 33 CA VAL 30 -5.433 23.069 -9.083 1.00 1.00 ATOM 34 CA ILE 31 -6.630 23.309 -12.661 1.00 1.00 ATOM 35 CA ASP 32 -5.951 26.283 -14.995 1.00 1.00 ATOM 36 CA VAL 33 -7.662 26.564 -18.378 1.00 1.00 ATOM 37 CA THR 34 -6.739 28.845 -21.293 1.00 1.00 ATOM 38 CA VAL 35 -9.181 29.003 -24.243 1.00 1.00 ATOM 39 CA TRP 36 -8.782 31.028 -27.441 1.00 1.00 ATOM 40 CA ILE 37 -11.459 31.862 -29.954 1.00 1.00 ATOM 41 CA ASP 38 -12.223 34.456 -32.719 1.00 1.00 ATOM 42 CA LEU 39 -12.494 37.932 -31.211 1.00 1.00 ATOM 43 CA ALA 40 -15.325 39.022 -33.560 1.00 1.00 ATOM 44 CA GLU 41 -17.760 36.308 -32.463 1.00 1.00 ATOM 45 CA ALA 42 -17.046 37.373 -28.851 1.00 1.00 ATOM 46 CA ALA 43 -18.973 40.665 -29.197 1.00 1.00 ATOM 47 CA ASN 44 -21.920 38.987 -31.052 1.00 1.00 ATOM 48 CA SER 45 -22.455 37.236 -27.671 1.00 1.00 ATOM 49 CA ASP 46 -25.494 39.293 -26.584 1.00 1.00 ATOM 50 CA ASP 47 -26.817 38.457 -30.094 1.00 1.00 ATOM 51 CA LEU 48 -26.431 34.702 -30.795 1.00 1.00 ATOM 52 CA ALA 49 -27.463 31.680 -28.670 1.00 1.00 ATOM 53 CA ASP 50 -24.741 29.036 -29.219 1.00 1.00 ATOM 54 CA THR 51 -22.248 31.169 -27.237 1.00 1.00 ATOM 55 CA TYR 52 -19.130 29.819 -25.492 1.00 1.00 ATOM 56 CA ASP 53 -20.069 29.529 -21.850 1.00 1.00 ATOM 57 CA TYR 54 -17.147 29.353 -19.410 1.00 1.00 ATOM 58 CA VAL 55 -19.720 28.398 -16.768 1.00 1.00 ATOM 59 CA ARG 56 -20.692 25.252 -18.635 1.00 1.00 ATOM 60 CA LEU 57 -17.103 24.367 -19.383 1.00 1.00 ATOM 61 CA ALA 58 -16.266 24.605 -15.681 1.00 1.00 ATOM 62 CA SER 59 -19.436 22.692 -14.713 1.00 1.00 ATOM 63 CA ARG 60 -18.446 19.842 -16.960 1.00 1.00 ATOM 64 CA ALA 61 -14.830 19.844 -15.733 1.00 1.00 ATOM 65 CA ALA 62 -15.920 19.688 -12.086 1.00 1.00 ATOM 66 CA GLU 63 -18.490 16.963 -12.653 1.00 1.00 ATOM 67 CA ILE 64 -16.090 14.813 -14.618 1.00 1.00 ATOM 68 CA VAL 65 -13.119 15.303 -12.266 1.00 1.00 ATOM 69 CA ALA 66 -14.768 14.772 -8.877 1.00 1.00 ATOM 70 CA GLY 67 -16.900 11.834 -10.057 1.00 1.00 ATOM 71 CA PRO 68 -14.006 9.689 -11.240 1.00 1.00 ATOM 72 CA PRO 69 -10.661 8.094 -10.347 1.00 1.00 ATOM 73 CA ARG 70 -7.516 8.638 -12.338 1.00 1.00 ATOM 74 CA LYS 71 -4.497 6.476 -12.892 1.00 1.00 ATOM 75 CA LEU 72 -2.093 9.116 -14.276 1.00 1.00 ATOM 76 CA ILE 73 -1.934 12.945 -14.434 1.00 1.00 ATOM 77 CA GLU 74 -1.691 12.684 -18.192 1.00 1.00 ATOM 78 CA THR 75 -5.118 10.981 -18.546 1.00 1.00 ATOM 79 CA VAL 76 -6.738 13.523 -16.223 1.00 1.00 ATOM 80 CA GLY 77 -5.200 16.513 -18.004 1.00 1.00 ATOM 81 CA ALA 78 -6.219 15.154 -21.458 1.00 1.00 ATOM 82 CA GLU 79 -9.798 14.489 -20.308 1.00 1.00 ATOM 83 CA ILE 80 -10.010 18.047 -19.090 1.00 1.00 ATOM 84 CA ALA 81 -8.336 19.443 -22.252 1.00 1.00 ATOM 85 CA ASP 82 -10.943 17.661 -24.371 1.00 1.00 ATOM 86 CA HIS 83 -13.714 19.101 -22.182 1.00 1.00 ATOM 87 CA VAL 84 -12.151 22.536 -22.667 1.00 1.00 ATOM 88 CA MET 85 -11.958 22.435 -26.502 1.00 1.00 ATOM 89 CA ASP 86 -15.355 20.767 -26.982 1.00 1.00 ATOM 90 CA ASP 87 -17.101 23.841 -28.290 1.00 1.00 ATOM 91 CA GLN 88 -16.745 24.724 -31.983 1.00 1.00 ATOM 92 CA ARG 89 -15.452 28.279 -31.411 1.00 1.00 ATOM 93 CA VAL 90 -12.314 27.145 -29.645 1.00 1.00 ATOM 94 CA HIS 91 -9.194 27.898 -31.743 1.00 1.00 ATOM 95 CA ALA 92 -6.595 26.982 -29.157 1.00 1.00 ATOM 96 CA VAL 93 -6.938 25.347 -25.709 1.00 1.00 ATOM 97 CA GLU 94 -4.328 24.808 -22.938 1.00 1.00 ATOM 98 CA VAL 95 -4.706 23.065 -19.574 1.00 1.00 ATOM 99 CA ALA 96 -2.274 22.978 -16.696 1.00 1.00 ATOM 100 CA VAL 97 -2.948 20.730 -13.649 1.00 1.00 ATOM 101 CA HIS 98 -0.914 21.040 -10.430 1.00 1.00 ATOM 102 CA LYS 99 -0.805 17.949 -8.219 1.00 1.00 ATOM 103 CA PRO 100 -0.092 19.733 -4.947 1.00 1.00 ATOM 104 CA GLN 101 2.742 18.374 -2.827 1.00 1.00 ATOM 105 CA ALA 102 3.276 15.378 -5.056 1.00 1.00 ATOM 106 CA PRO 105 7.039 15.548 -4.518 1.00 1.00 ATOM 107 CA GLN 106 8.313 16.108 -1.060 1.00 1.00 ATOM 108 CA THR 107 10.297 19.355 -0.797 1.00 1.00 ATOM 109 CA PHE 108 8.541 20.878 -3.836 1.00 1.00 ATOM 110 CA ASP 109 5.352 23.027 -3.922 1.00 1.00 ATOM 111 CA ASP 110 3.859 20.883 -6.712 1.00 1.00 ATOM 112 CA VAL 111 4.373 19.159 -10.021 1.00 1.00 ATOM 113 CA ALA 112 2.218 20.031 -13.004 1.00 1.00 ATOM 114 CA VAL 113 1.290 18.677 -16.380 1.00 1.00 ATOM 115 CA VAL 114 0.367 21.028 -19.191 1.00 1.00 ATOM 116 CA ILE 115 -1.140 19.961 -22.542 1.00 1.00 ATOM 117 CA ARG 116 -2.505 22.028 -25.446 1.00 1.00 ATOM 118 CA ARG 117 -4.473 21.726 -28.669 1.00 1.00 ATOM 119 CA SER 118 -4.568 23.650 -31.969 1.00 1.00 ATOM 120 CA ARG 119 -6.945 24.315 -34.885 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 7 02:11:29 2002 Date: Wed, 7 Aug 2002 02:11:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0155 TS samt02.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 01:43:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_557351_18771 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0155TS189_3 Current information on models submitted in prediction T0155TS189 MODEL_INDEX PIN CODE DATE E-mail T0155TS189_3 PIN_557351_18771 5035-2079-5263 08/07/02 01:43:40 casp5@bialko.llnl.gov T0155TS189_2 PIN_527527_18760 5035-2079-5263 08/07/02 01:40:05 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 T0155 MODEL_INDEX PIN CODE DATE E-mail T0155TS189_2 PIN_527527_18760 5035-2079-5263 08/07/02 01:40:05 casp5@bialko.llnl.gov T0155TS189_3 PIN_557351_18771 5035-2079-5263 08/07/02 01:43:40 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 T0155 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1A6Q # Loading PARENT structure: 1a6q (chain: ) # Number of residues in PARENT structure: 363 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue T 34 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 35 # IMPORTANT NOTE! Not complete main chain atoms for residue W 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue A 49 # IMPORTANT NOTE! Not complete main chain atoms for residue D 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 54 # IMPORTANT NOTE! Not complete main chain atoms for residue V 55 # IMPORTANT NOTE! Not complete main chain atoms for residue R 56 # IMPORTANT NOTE! Not complete main chain atoms for residue L 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue S 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue E 63 # IMPORTANT NOTE! Not complete main chain atoms for residue I 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue P 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue H 83 # IMPORTANT NOTE! Not complete main chain atoms for residue V 84 # IMPORTANT NOTE! Not complete main chain atoms for residue M 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue E 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue P 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0155 # Total number of residues in target: 133 # Total number of residues in model: 60 # Total number of atoms in model: 60 # Number of atoms with 1.0 occupancy: 60 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 60 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0155 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1A6Q ATOM 235 CA THR 34 -29.075 15.251 32.802 1.00 1.00 ATOM 236 CA VAL 35 -26.759 17.445 34.875 1.00 1.00 ATOM 237 CA TRP 36 -28.440 20.138 36.994 1.00 1.00 ATOM 238 CA SER 45 -27.917 22.217 40.139 1.00 1.00 ATOM 239 CA ASP 46 -30.185 21.722 43.190 1.00 1.00 ATOM 240 CA ASP 47 -32.341 24.577 41.857 1.00 1.00 ATOM 241 CA LEU 48 -33.743 21.904 39.549 1.00 1.00 ATOM 242 CA ALA 49 -33.507 18.910 41.871 1.00 1.00 ATOM 243 CA ASP 50 -35.056 20.760 44.821 1.00 1.00 ATOM 244 CA THR 51 -38.393 20.595 43.119 1.00 1.00 ATOM 245 CA TYR 52 -38.329 17.565 40.763 1.00 1.00 ATOM 246 CA ASP 53 -37.208 14.052 41.528 1.00 1.00 ATOM 247 CA TYR 54 -34.981 11.768 39.455 1.00 1.00 ATOM 248 CA VAL 55 -37.651 9.687 37.754 1.00 1.00 ATOM 249 CA ARG 56 -40.046 12.659 37.459 1.00 1.00 ATOM 250 CA LEU 57 -37.471 14.739 35.628 1.00 1.00 ATOM 251 CA ALA 58 -36.334 11.757 33.594 1.00 1.00 ATOM 252 CA SER 59 -39.975 10.996 32.658 1.00 1.00 ATOM 253 CA ARG 60 -40.622 14.675 31.958 1.00 1.00 ATOM 254 CA ALA 61 -37.644 15.094 29.651 1.00 1.00 ATOM 255 CA ALA 62 -38.640 11.932 27.767 1.00 1.00 ATOM 256 CA GLU 63 -42.107 13.410 27.173 1.00 1.00 ATOM 257 CA ILE 64 -40.573 16.664 25.908 1.00 1.00 ATOM 258 CA VAL 65 -38.146 14.789 23.693 1.00 1.00 ATOM 259 CA ALA 66 -41.029 12.879 22.121 1.00 1.00 ATOM 260 CA GLY 67 -42.300 16.312 21.162 1.00 1.00 ATOM 261 CA PRO 68 -39.113 18.193 20.135 1.00 1.00 ATOM 262 CA PRO 69 -35.480 17.638 19.228 1.00 1.00 ATOM 263 CA LEU 72 -34.559 21.213 20.091 1.00 1.00 ATOM 264 CA ILE 73 -32.479 20.447 23.158 1.00 1.00 ATOM 265 CA GLU 74 -32.254 24.124 24.200 1.00 1.00 ATOM 266 CA THR 75 -36.056 24.277 24.258 1.00 1.00 ATOM 267 CA VAL 76 -36.275 21.085 26.314 1.00 1.00 ATOM 268 CA GLY 77 -33.882 22.619 28.861 1.00 1.00 ATOM 269 CA ALA 78 -35.864 25.905 28.972 1.00 1.00 ATOM 270 CA GLU 79 -38.983 23.864 29.592 1.00 1.00 ATOM 271 CA ILE 80 -37.317 22.087 32.517 1.00 1.00 ATOM 272 CA ALA 81 -36.164 25.408 34.017 1.00 1.00 ATOM 273 CA ASP 82 -39.561 27.137 33.703 1.00 1.00 ATOM 274 CA HIS 83 -41.368 24.087 35.027 1.00 1.00 ATOM 275 CA VAL 84 -39.089 24.135 38.099 1.00 1.00 ATOM 276 CA MET 85 -39.552 27.891 38.550 1.00 1.00 ATOM 278 CA ASP 86 -43.030 24.489 40.797 1.00 1.00 ATOM 279 CA ASP 87 -41.583 27.053 43.175 1.00 1.00 ATOM 280 CA GLN 88 -37.820 26.952 42.796 1.00 1.00 ATOM 281 CA ARG 89 -36.384 30.289 43.870 1.00 1.00 ATOM 282 CA VAL 90 -32.787 29.481 43.148 1.00 1.00 ATOM 283 CA HIS 91 -30.479 29.896 40.153 1.00 1.00 ATOM 284 CA ALA 92 -31.180 27.011 37.713 1.00 1.00 ATOM 285 CA VAL 93 -28.866 25.276 35.226 1.00 1.00 ATOM 286 CA GLU 94 -29.432 22.099 33.171 1.00 1.00 ATOM 287 CA VAL 95 -27.356 20.269 30.571 1.00 1.00 ATOM 288 CA ALA 96 -29.166 17.610 28.514 1.00 1.00 ATOM 289 CA VAL 97 -26.808 15.336 26.575 1.00 1.00 ATOM 290 CA HIS 98 -28.587 12.920 24.253 1.00 1.00 ATOM 291 CA LYS 99 -27.101 9.710 22.810 1.00 1.00 ATOM 292 CA PRO 100 -28.007 8.055 19.461 1.00 1.00 ATOM 293 CA GLN 101 -30.941 6.156 20.977 1.00 1.00 ATOM 294 CA ALA 102 -32.411 9.072 22.891 1.00 1.00 ATOM 295 CA PRO 103 -36.158 9.151 22.432 1.00 1.00 TER END ################################ # # # END # # # ################################