From mailer@bialko.llnl.gov Tue Jul 23 10:20:09 2002 Date: Tue, 23 Jul 2002 10:20:02 -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 Tue Jul 23 09:53:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_648576_13557 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160SS389_1 Current information on models submitted in prediction T0160SS389 MODEL_INDEX PIN CODE DATE E-mail T0160SS389_1 PIN_648576_13557 1549-8716-6404 07/23/02 09:53:06 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160SS389_1 PIN_648576_13557 1549-8716-6404 07/23/02 09:53:06 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 T0160 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: 128 # Number of residues with nonzero confidence: 128 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0160 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0160.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0160.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0160.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 T0160.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0160 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 T0160.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 81 METHOD METHOD ============================================ METHOD Comments from T0160.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0160 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 T0160.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 81 METHOD METHOD ============================================ METHOD Comments from T0160.t2k.str.rdb METHOD ============================================ METHOD TARGET T0160 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 T0160.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 81 METHOD METHOD ============================================ MODEL 1 G C 0.97 S C 0.90 H C 0.84 M C 0.79 A C 0.83 K C 0.86 H C 0.88 E C 0.84 Q C 0.79 I E 0.49 L E 0.84 V E 0.89 L E 0.87 D C 0.58 P C 0.87 P C 0.86 S C 0.78 D C 0.53 L E 0.86 K E 0.92 F E 0.87 K E 0.68 G C 0.54 P C 0.79 F C 0.87 T C 0.90 D C 0.85 V C 0.57 V E 0.78 T E 0.88 T E 0.93 N E 0.94 L E 0.97 K E 0.98 L E 0.97 Q E 0.93 N E 0.67 P C 0.85 S C 0.91 D C 0.88 R C 0.79 K E 0.60 V E 0.83 C E 0.94 F E 0.96 K E 0.97 V E 0.95 K E 0.91 T E 0.75 T C 0.68 A C 0.83 P C 0.83 R C 0.74 R E 0.60 Y E 0.79 C E 0.89 V E 0.84 R E 0.57 P C 0.77 N C 0.83 S C 0.65 G C 0.53 V E 0.77 I E 0.80 D C 0.74 P C 0.94 G C 0.96 S C 0.80 I E 0.58 V E 0.94 Y E 0.96 V E 0.97 S E 0.98 V E 0.97 M E 0.94 L E 0.80 Q C 0.56 P C 0.79 F C 0.83 D C 0.81 Y C 0.79 D C 0.87 P C 0.84 N C 0.76 E C 0.72 K C 0.69 S C 0.66 K C 0.76 H C 0.70 K E 0.81 F E 0.95 M E 0.97 V E 0.97 Q E 0.97 T E 0.95 I E 0.86 F E 0.71 A C 0.69 P C 0.87 P C 0.91 N C 0.87 I C 0.65 S C 0.55 D H 0.50 M H 0.81 E H 0.90 A H 0.94 V H 0.95 W H 0.94 K H 0.89 E H 0.80 A H 0.61 K C 0.75 P C 0.88 D C 0.88 E C 0.78 L C 0.54 M E 0.71 D E 0.86 S E 0.87 K E 0.89 P E 0.88 R E 0.90 C E 0.93 V E 0.93 F E 0.91 E E 0.75 M C 0.96 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:41:18 2002 Date: Wed, 14 Aug 2002 03:41:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 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 14 03:13:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_263611_23073 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS189_1 Current information on models submitted in prediction T0160TS189 MODEL_INDEX PIN CODE DATE E-mail T0160TS189_1 PIN_263611_23073 5035-2079-5263 08/14/02 03:13:18 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS189_1 PIN_263611_23073 5035-2079-5263 08/14/02 03:13:18 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 T0160 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1MSP_A # Loading PARENT structure: 1msp (chain: A) # Number of residues in PARENT structure: 124 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue E 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue L 10 # IMPORTANT NOTE! Not complete main chain atoms for residue D 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue P 13 # IMPORTANT NOTE! Not complete main chain atoms for residue S 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue C 41 # IMPORTANT NOTE! Not complete main chain atoms for residue F 42 # IMPORTANT NOTE! Not complete main chain atoms for residue K 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue P 49 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue A 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue W 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue E 108 # IMPORTANT NOTE! Not complete main chain atoms for residue A 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue P 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue M 125 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 122 # Total number of atoms in model: 122 # Number of atoms with 1.0 occupancy: 122 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 122 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1MSP_A ATOM 3 CA ALA 2 -3.116 -12.274 8.221 1.00 1.00 ATOM 4 CA LYS 3 -0.001 -12.872 10.371 1.00 1.00 ATOM 5 CA HIS 4 1.188 -11.187 13.422 1.00 1.00 ATOM 6 CA GLU 5 4.453 -9.515 12.612 1.00 1.00 ATOM 7 CA GLN 6 7.268 -11.569 14.027 1.00 1.00 ATOM 8 CA ILE 7 9.681 -10.543 16.750 1.00 1.00 ATOM 9 CA LEU 8 12.517 -8.216 16.732 1.00 1.00 ATOM 10 CA VAL 9 15.625 -8.207 18.831 1.00 1.00 ATOM 11 CA LEU 10 17.155 -5.006 20.169 1.00 1.00 ATOM 12 CA ASP 11 20.281 -4.270 22.063 1.00 1.00 ATOM 13 CA PRO 12 20.089 -3.145 24.862 1.00 1.00 ATOM 14 CA PRO 13 17.248 -5.506 25.282 1.00 1.00 ATOM 15 CA SER 14 15.149 -3.717 27.913 1.00 1.00 ATOM 16 CA ASP 15 16.221 -0.165 28.340 1.00 1.00 ATOM 17 CA LEU 16 18.609 2.531 27.690 1.00 1.00 ATOM 18 CA LYS 17 20.728 4.613 30.082 1.00 1.00 ATOM 19 CA PHE 18 22.008 8.056 29.588 1.00 1.00 ATOM 20 CA LYS 19 24.836 9.000 31.918 1.00 1.00 ATOM 21 CA GLY 20 25.589 12.482 33.345 1.00 1.00 ATOM 22 CA PRO 21 27.070 14.987 32.604 1.00 1.00 ATOM 23 CA PHE 22 24.200 16.494 30.531 1.00 1.00 ATOM 24 CA THR 23 25.925 19.523 29.066 1.00 1.00 ATOM 25 CA ASP 24 27.035 17.836 26.000 1.00 1.00 ATOM 26 CA VAL 25 25.162 16.244 23.111 1.00 1.00 ATOM 27 CA VAL 26 25.424 12.552 23.955 1.00 1.00 ATOM 28 CA THR 27 24.825 10.160 20.994 1.00 1.00 ATOM 29 CA THR 28 24.332 6.439 21.978 1.00 1.00 ATOM 30 CA ASN 29 23.419 3.627 19.525 1.00 1.00 ATOM 31 CA LEU 30 20.885 0.829 19.167 1.00 1.00 ATOM 32 CA LYS 31 20.904 -2.378 17.228 1.00 1.00 ATOM 33 CA LEU 32 17.758 -3.699 15.741 1.00 1.00 ATOM 34 CA GLN 33 17.413 -6.976 14.264 1.00 1.00 ATOM 35 CA ASN 34 14.570 -8.646 12.440 1.00 1.00 ATOM 36 CA PRO 35 14.097 -11.954 14.233 1.00 1.00 ATOM 37 CA SER 36 11.179 -12.995 12.094 1.00 1.00 ATOM 38 CA ASP 37 10.459 -14.864 8.851 1.00 1.00 ATOM 39 CA ARG 38 9.135 -11.917 6.780 1.00 1.00 ATOM 40 CA LYS 39 10.236 -8.479 5.791 1.00 1.00 ATOM 41 CA VAL 40 8.951 -5.778 8.017 1.00 1.00 ATOM 42 CA CYS 41 8.977 -1.978 8.112 1.00 1.00 ATOM 43 CA PHE 42 9.502 -0.120 11.251 1.00 1.00 ATOM 44 CA LYS 43 9.411 3.348 12.528 1.00 1.00 ATOM 45 CA VAL 44 10.353 5.047 15.848 1.00 1.00 ATOM 46 CA LYS 45 8.773 7.499 18.170 1.00 1.00 ATOM 47 CA THR 46 10.256 9.292 21.213 1.00 1.00 ATOM 48 CA THR 47 8.702 10.996 24.182 1.00 1.00 ATOM 49 CA ALA 48 10.603 14.223 23.513 1.00 1.00 ATOM 50 CA PRO 49 10.869 15.604 20.037 1.00 1.00 ATOM 51 CA ARG 50 13.088 18.412 21.424 1.00 1.00 ATOM 52 CA ARG 51 15.398 16.553 23.735 1.00 1.00 ATOM 53 CA TYR 52 15.502 13.108 21.888 1.00 1.00 ATOM 54 CA CYS 53 16.447 12.340 18.351 1.00 1.00 ATOM 55 CA VAL 54 16.839 9.233 16.189 1.00 1.00 ATOM 56 CA ARG 55 18.393 8.419 12.968 1.00 1.00 ATOM 57 CA PRO 56 17.416 6.774 10.980 1.00 1.00 ATOM 58 CA ASN 57 13.757 7.125 11.978 1.00 1.00 ATOM 59 CA SER 58 12.201 4.322 9.931 1.00 1.00 ATOM 60 CA GLY 59 12.930 1.673 7.442 1.00 1.00 ATOM 61 CA VAL 60 12.584 -1.907 6.189 1.00 1.00 ATOM 62 CA ILE 61 14.562 -5.052 7.290 1.00 1.00 ATOM 63 CA ASP 62 14.471 -8.382 5.619 1.00 1.00 ATOM 64 CA PRO 63 14.506 -11.321 7.978 1.00 1.00 ATOM 65 CA GLY 64 17.637 -11.558 10.172 1.00 1.00 ATOM 66 CA SER 65 18.760 -8.203 8.843 1.00 1.00 ATOM 67 CA ILE 66 19.927 -5.639 11.258 1.00 1.00 ATOM 68 CA VAL 67 20.237 -2.027 11.584 1.00 1.00 ATOM 69 CA TYR 68 22.254 0.295 13.738 1.00 1.00 ATOM 70 CA VAL 69 20.481 3.378 14.681 1.00 1.00 ATOM 71 CA SER 70 21.387 6.547 16.466 1.00 1.00 ATOM 72 CA VAL 71 19.813 8.033 19.589 1.00 1.00 ATOM 73 CA MET 72 20.843 11.522 20.776 1.00 1.00 ATOM 74 CA LEU 73 20.390 13.749 23.738 1.00 1.00 ATOM 75 CA GLN 74 20.471 17.602 23.877 1.00 1.00 ATOM 76 CA PRO 75 21.865 19.568 26.660 1.00 1.00 ATOM 77 CA PHE 76 19.431 20.094 29.448 1.00 1.00 ATOM 78 CA ASP 77 18.976 20.626 33.215 1.00 1.00 ATOM 79 CA TYR 78 18.074 17.552 35.166 1.00 1.00 ATOM 80 CA ASP 79 17.531 19.443 38.393 1.00 1.00 ATOM 81 CA PRO 80 14.231 20.715 37.146 1.00 1.00 ATOM 82 CA ASN 81 12.823 18.443 34.494 1.00 1.00 ATOM 83 CA GLU 82 11.114 15.151 34.240 1.00 1.00 ATOM 84 CA LYS 83 13.320 12.143 33.934 1.00 1.00 ATOM 85 CA SER 84 11.293 9.284 35.210 1.00 1.00 ATOM 86 CA LYS 85 9.086 9.377 32.028 1.00 1.00 ATOM 87 CA HIS 86 10.905 9.323 28.641 1.00 1.00 ATOM 88 CA LYS 87 10.889 6.383 26.197 1.00 1.00 ATOM 89 CA PHE 88 11.631 5.177 22.716 1.00 1.00 ATOM 90 CA MET 89 8.992 3.115 20.849 1.00 1.00 ATOM 91 CA VAL 90 9.616 0.873 17.979 1.00 1.00 ATOM 92 CA GLN 91 6.550 0.080 15.968 1.00 1.00 ATOM 93 CA THR 92 6.613 -2.483 13.295 1.00 1.00 ATOM 94 CA ILE 93 4.551 -4.559 10.915 1.00 1.00 ATOM 95 CA PHE 94 4.997 -7.086 8.079 1.00 1.00 ATOM 96 CA ALA 95 5.486 -5.420 4.738 1.00 1.00 ATOM 97 CA PRO 96 2.974 -6.218 2.044 1.00 1.00 ATOM 98 CA PRO 97 3.590 -8.816 -0.695 1.00 1.00 ATOM 99 CA ASN 98 5.403 -7.204 -3.595 1.00 1.00 ATOM 100 CA ILE 99 6.621 -4.076 -1.617 1.00 1.00 ATOM 101 CA SER 100 9.881 -2.189 -2.091 1.00 1.00 ATOM 102 CA GLU 103 12.658 -1.372 0.271 1.00 1.00 ATOM 103 CA ALA 104 11.357 1.995 1.183 1.00 1.00 ATOM 104 CA VAL 105 9.244 2.750 4.090 1.00 1.00 ATOM 105 CA TRP 106 5.641 3.807 3.522 1.00 1.00 ATOM 106 CA LYS 107 3.626 5.019 6.466 1.00 1.00 ATOM 107 CA GLU 108 0.417 3.736 4.972 1.00 1.00 ATOM 108 CA ALA 109 1.459 0.211 5.917 1.00 1.00 ATOM 109 CA LYS 110 0.454 1.136 9.457 1.00 1.00 ATOM 110 CA PRO 111 -2.909 2.661 8.500 1.00 1.00 ATOM 111 CA ASP 112 -4.284 -0.276 6.610 1.00 1.00 ATOM 112 CA GLU 113 -6.120 -3.235 7.742 1.00 1.00 ATOM 113 CA LEU 114 -3.869 -5.295 9.853 1.00 1.00 ATOM 114 CA MET 115 -1.668 -5.516 12.995 1.00 1.00 ATOM 115 CA ASP 116 1.090 -3.284 14.311 1.00 1.00 ATOM 116 CA SER 117 3.555 -4.556 16.910 1.00 1.00 ATOM 117 CA LYS 118 5.099 -2.287 19.508 1.00 1.00 ATOM 118 CA PRO 119 8.248 -2.269 21.714 1.00 1.00 ATOM 119 CA ARG 120 9.186 0.311 24.120 1.00 1.00 ATOM 120 CA CYS 121 12.682 0.968 25.457 1.00 1.00 ATOM 121 CA VAL 122 12.489 3.270 28.370 1.00 1.00 ATOM 122 CA PHE 123 15.177 5.969 29.029 1.00 1.00 ATOM 123 CA GLU 124 16.933 5.856 32.321 1.00 1.00 ATOM 124 CA MET 125 18.899 8.870 33.339 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 03:49:28 2002 Date: Wed, 14 Aug 2002 03:49:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0160 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 14 03:21:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_344294_23100 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0160TS189_2 Current information on models submitted in prediction T0160TS189 MODEL_INDEX PIN CODE DATE E-mail T0160TS189_2 PIN_344294_23100 5035-2079-5263 08/14/02 03:21:46 casp5@bialko.llnl.gov T0160TS189_1 PIN_263611_23073 5035-2079-5263 08/14/02 03:13:18 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 T0160 MODEL_INDEX PIN CODE DATE E-mail T0160TS189_1 PIN_263611_23073 5035-2079-5263 08/14/02 03:13:18 casp5@bialko.llnl.gov T0160TS189_2 PIN_344294_23100 5035-2079-5263 08/14/02 03:21:46 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 TS PFRMAT TS TARGET T0160 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1QPP_A # Loading PARENT structure: 1qpp (chain: A) # Number of residues in PARENT structure: 207 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue F 18 # IMPORTANT NOTE! Not complete main chain atoms for residue K 19 # IMPORTANT NOTE! Not complete main chain atoms for residue G 20 # IMPORTANT NOTE! Not complete main chain atoms for residue P 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue T 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue D 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue K 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 50 # IMPORTANT NOTE! Not complete main chain atoms for residue R 51 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue R 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue N 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue I 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 65 # IMPORTANT NOTE! Not complete main chain atoms for residue I 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 68 # IMPORTANT NOTE! Not complete main chain atoms for residue V 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue F 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue P 80 # IMPORTANT NOTE! Not complete main chain atoms for residue N 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue K 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue H 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 91 # IMPORTANT NOTE! Not complete main chain atoms for residue T 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue F 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue P 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue P 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue C 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0160 # Total number of residues in target: 128 # Total number of residues in model: 90 # Total number of atoms in model: 90 # Number of atoms with 1.0 occupancy: 90 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 90 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0160 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1QPP_A ATOM 20 CA ASP 15 78.910 4.662 6.436 1.00 1.00 ATOM 21 CA LEU 16 76.481 1.719 6.957 1.00 1.00 ATOM 22 CA LYS 17 73.096 2.352 8.535 1.00 1.00 ATOM 23 CA PHE 18 70.146 0.108 9.178 1.00 1.00 ATOM 24 CA LYS 19 66.532 0.304 10.284 1.00 1.00 ATOM 25 CA GLY 20 66.520 -2.052 13.292 1.00 1.00 ATOM 26 CA PRO 21 62.709 -1.916 13.500 1.00 1.00 ATOM 27 CA PHE 22 61.600 -5.241 12.004 1.00 1.00 ATOM 28 CA THR 23 58.045 -3.944 11.341 1.00 1.00 ATOM 29 CA ASP 24 57.650 -0.219 10.522 1.00 1.00 ATOM 30 CA VAL 25 59.862 1.719 8.046 1.00 1.00 ATOM 31 CA VAL 26 61.849 4.881 8.841 1.00 1.00 ATOM 32 CA THR 27 63.174 7.908 6.990 1.00 1.00 ATOM 33 CA THR 28 66.812 8.899 7.448 1.00 1.00 ATOM 34 CA ASN 29 68.076 12.372 6.832 1.00 1.00 ATOM 35 CA LEU 30 71.809 12.941 6.584 1.00 1.00 ATOM 36 CA LYS 31 73.755 16.225 6.502 1.00 1.00 ATOM 37 CA LEU 32 77.200 17.760 7.173 1.00 1.00 ATOM 38 CA GLN 33 78.071 20.600 9.561 1.00 1.00 ATOM 39 CA ASN 34 81.323 22.555 10.119 1.00 1.00 ATOM 40 CA PRO 35 83.147 22.732 13.484 1.00 1.00 ATOM 41 CA SER 36 80.750 25.473 14.565 1.00 1.00 ATOM 42 CA ASP 37 77.844 23.073 13.983 1.00 1.00 ATOM 43 CA ARG 38 76.359 25.089 11.133 1.00 1.00 ATOM 44 CA LYS 39 74.823 23.256 8.208 1.00 1.00 ATOM 45 CA VAL 40 76.962 23.586 5.057 1.00 1.00 ATOM 46 CA THR 46 75.497 22.501 1.692 1.00 1.00 ATOM 47 CA THR 47 78.191 23.209 -0.924 1.00 1.00 ATOM 48 CA ARG 50 81.038 21.121 0.527 1.00 1.00 ATOM 49 CA ARG 51 83.885 20.610 0.841 1.00 1.00 ATOM 50 CA TYR 52 82.352 17.376 2.203 1.00 1.00 ATOM 51 CA CYS 53 78.780 16.369 1.253 1.00 1.00 ATOM 52 CA VAL 54 76.507 13.483 2.280 1.00 1.00 ATOM 53 CA ARG 55 74.322 11.452 -0.130 1.00 1.00 ATOM 54 CA PRO 56 71.566 10.769 -0.130 1.00 1.00 ATOM 55 CA ASN 57 70.180 13.682 1.880 1.00 1.00 ATOM 56 CA SER 58 67.045 11.689 2.763 1.00 1.00 ATOM 57 CA GLY 59 66.113 8.018 2.070 1.00 1.00 ATOM 58 CA VAL 60 63.470 5.466 2.991 1.00 1.00 ATOM 59 CA ILE 61 64.530 2.409 4.982 1.00 1.00 ATOM 60 CA ASP 62 62.078 -0.506 4.779 1.00 1.00 ATOM 61 CA PRO 63 61.864 -2.389 8.079 1.00 1.00 ATOM 62 CA GLY 64 65.018 -4.375 8.921 1.00 1.00 ATOM 63 CA SER 65 66.715 -2.940 5.823 1.00 1.00 ATOM 64 CA ILE 66 70.366 -2.003 5.574 1.00 1.00 ATOM 65 CA VAL 67 71.756 0.882 3.514 1.00 1.00 ATOM 66 CA TYR 68 74.494 3.471 3.610 1.00 1.00 ATOM 67 CA VAL 69 75.430 7.130 3.318 1.00 1.00 ATOM 68 CA SER 70 78.288 8.324 1.064 1.00 1.00 ATOM 69 CA VAL 71 80.730 11.059 2.132 1.00 1.00 ATOM 70 CA MET 72 82.551 12.545 -0.907 1.00 1.00 ATOM 71 CA LEU 73 84.821 15.564 -1.264 1.00 1.00 ATOM 72 CA GLN 74 84.834 18.505 -3.712 1.00 1.00 ATOM 73 CA PRO 75 87.867 20.149 -5.365 1.00 1.00 ATOM 74 CA PHE 76 88.074 22.886 -2.704 1.00 1.00 ATOM 75 CA ASP 77 88.988 20.132 -0.188 1.00 1.00 ATOM 76 CA TYR 78 92.553 21.286 -0.892 1.00 1.00 ATOM 77 CA ASP 79 91.599 24.667 0.555 1.00 1.00 ATOM 78 CA PRO 80 91.582 23.111 4.086 1.00 1.00 ATOM 79 CA ASN 81 94.925 22.997 5.898 1.00 1.00 ATOM 80 CA GLU 82 97.183 20.093 4.957 1.00 1.00 ATOM 81 CA LYS 83 99.206 19.895 8.150 1.00 1.00 ATOM 82 CA SER 84 96.312 19.419 10.623 1.00 1.00 ATOM 83 CA LYS 85 92.875 17.824 10.744 1.00 1.00 ATOM 84 CA HIS 86 89.679 19.824 10.281 1.00 1.00 ATOM 85 CA LYS 87 86.490 19.061 12.128 1.00 1.00 ATOM 86 CA PHE 88 83.071 18.442 10.589 1.00 1.00 ATOM 87 CA MET 89 79.975 16.767 12.132 1.00 1.00 ATOM 88 CA VAL 90 78.134 14.000 10.291 1.00 1.00 ATOM 89 CA GLN 91 74.439 14.397 11.175 1.00 1.00 ATOM 90 CA THR 92 71.626 11.783 11.116 1.00 1.00 ATOM 91 CA ILE 93 67.890 12.091 11.845 1.00 1.00 ATOM 92 CA PHE 94 65.414 9.222 11.819 1.00 1.00 ATOM 93 CA ALA 95 61.825 10.196 10.946 1.00 1.00 ATOM 94 CA PRO 96 59.332 7.704 12.369 1.00 1.00 ATOM 95 CA PRO 97 56.174 6.709 10.465 1.00 1.00 ATOM 96 CA ASN 98 52.654 7.544 11.692 1.00 1.00 ATOM 104 CA ASP 112 56.347 9.516 18.234 1.00 1.00 ATOM 105 CA GLU 113 59.081 12.133 17.648 1.00 1.00 ATOM 106 CA LEU 114 62.126 12.349 15.374 1.00 1.00 ATOM 107 CA MET 115 65.550 11.679 16.892 1.00 1.00 ATOM 108 CA ASP 116 68.890 12.846 15.538 1.00 1.00 ATOM 109 CA SER 117 72.495 12.334 16.380 1.00 1.00 ATOM 110 CA LYS 118 75.705 13.958 15.261 1.00 1.00 ATOM 111 CA PRO 119 79.098 12.248 15.306 1.00 1.00 ATOM 112 CA ARG 120 82.413 14.004 14.799 1.00 1.00 ATOM 113 CA CYS 121 83.894 13.700 11.295 1.00 1.00 ATOM 114 CA VAL 122 87.679 14.181 11.399 1.00 1.00 ATOM 115 CA PHE 123 88.963 15.127 7.929 1.00 1.00 ATOM 116 CA GLU 124 92.622 13.969 7.942 1.00 1.00 TER END 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