From mailer@bialko.llnl.gov Mon Aug 19 22:10:08 2002 Date: Mon, 19 Aug 2002 22:10:03 -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 Mon Aug 19 21:41:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_548838_28455 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193SS389_1 Current information on models submitted in prediction T0193SS389 MODEL_INDEX PIN CODE DATE E-mail T0193SS389_1 PIN_548838_28455 1549-8716-6404 08/19/02 21:41:52 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0193 MODEL_INDEX PIN CODE DATE E-mail T0193SS389_1 PIN_548838_28455 1549-8716-6404 08/19/02 21:41:52 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0193 AUTHOR 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: 211 # Number of residues with nonzero confidence: 211 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0193 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0193.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0193.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0193.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 T0193.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0193 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 T0193.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 18 METHOD METHOD ============================================ METHOD Comments from T0193.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0193 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 T0193.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 18 METHOD METHOD ============================================ METHOD Comments from T0193.t2k.str.rdb METHOD ============================================ METHOD TARGET T0193 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 T0193.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 18 METHOD METHOD ============================================ MODEL 1 M C 0.91 K C 0.83 V C 0.82 P C 0.77 E H 0.91 A H 0.92 A H 0.94 I H 0.95 S H 0.88 R H 0.86 L H 0.80 I H 0.93 T H 0.96 Y H 0.97 L H 0.97 R H 0.97 I H 0.97 L H 0.97 E H 0.97 E H 0.96 L H 0.95 E H 0.92 A H 0.81 Q C 0.62 G C 0.96 V C 0.92 H C 0.63 R E 0.62 T E 0.59 S C 0.70 S H 0.75 E H 0.94 Q H 0.95 L H 0.96 G H 0.96 E H 0.95 L H 0.90 A H 0.63 Q C 0.94 V C 0.94 T C 0.97 A H 0.91 F H 0.96 Q H 0.96 V H 0.95 R H 0.93 K H 0.92 D H 0.84 L H 0.83 S H 0.80 Y H 0.70 F H 0.53 G C 0.57 S C 0.61 Y C 0.73 G C 0.85 T C 0.83 R C 0.68 G C 0.69 V C 0.64 G C 0.59 Y C 0.55 T C 0.66 V H 0.92 P H 0.96 V H 0.97 L H 0.97 K H 0.97 R H 0.97 E H 0.97 L H 0.97 R H 0.96 H H 0.94 I H 0.90 L H 0.59 G C 0.91 L C 0.89 N C 0.86 R C 0.73 K C 0.61 W E 0.53 G E 0.75 L E 0.94 C E 0.97 I E 0.98 V E 0.95 G E 0.76 M C 0.72 G C 0.81 R H 0.68 L H 0.92 G H 0.96 S H 0.96 A H 0.95 L H 0.92 A H 0.81 D H 0.59 Y C 0.60 P C 0.60 G C 0.63 F C 0.69 G C 0.80 E C 0.87 S C 0.85 F E 0.58 E E 0.92 L E 0.97 R E 0.97 G E 0.95 F E 0.93 F E 0.88 D E 0.71 V C 0.63 D C 0.84 P C 0.66 E C 0.67 K C 0.53 V C 0.69 G C 0.62 R E 0.69 P E 0.73 V C 0.49 R C 0.90 G C 0.91 G E 0.51 V E 0.78 I E 0.77 E E 0.65 H C 0.66 V H 0.66 D H 0.80 L H 0.83 L H 0.83 P H 0.82 Q H 0.80 R H 0.77 V H 0.57 P C 0.60 G C 0.82 R C 0.94 I C 0.87 E E 0.56 I E 0.97 A E 0.98 L E 0.98 L E 0.94 T E 0.74 V C 0.69 P C 0.91 R H 0.69 E H 0.88 A H 0.92 A H 0.95 Q H 0.95 K H 0.96 A H 0.97 A H 0.97 D H 0.98 L H 0.98 L H 0.98 V H 0.97 A H 0.93 A C 0.50 G C 0.97 I C 0.95 K C 0.72 G E 0.85 I E 0.95 L E 0.94 N E 0.70 F C 0.69 A C 0.76 P C 0.65 V E 0.60 V E 0.77 L E 0.60 E E 0.56 V C 0.62 P C 0.84 K C 0.89 E C 0.87 V C 0.51 A E 0.89 V E 0.94 E E 0.90 N E 0.83 V E 0.66 D C 0.64 F C 0.48 L H 0.59 A H 0.75 G H 0.84 L H 0.92 T H 0.96 R H 0.97 L H 0.97 S H 0.97 F H 0.97 A H 0.95 I H 0.85 L H 0.58 N C 0.78 P H 0.77 K H 0.81 W H 0.86 R H 0.85 E H 0.81 E H 0.78 M H 0.60 M C 0.65 G C 0.97 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:41:29 2002 Date: Fri, 23 Aug 2002 17:41:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 17:13:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_272784_32947 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS189_1 Current information on models submitted in prediction T0193TS189 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_1 PIN_272784_32947 5035-2079-5263 08/23/02 17:13:41 casp5@bialko.llnl.gov T0193TS189_3 PIN_234846_32939 5035-2079-5263 08/23/02 17:09:55 casp5@bialko.llnl.gov T0193TS189_4 PIN_229337_32937 5035-2079-5263 08/23/02 17:09:14 casp5@bialko.llnl.gov T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_1 PIN_272784_32947 5035-2079-5263 08/23/02 17:13:41 casp5@bialko.llnl.gov T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov T0193TS189_3 PIN_234846_32939 5035-2079-5263 08/23/02 17:09:55 casp5@bialko.llnl.gov T0193TS189_4 PIN_229337_32937 5035-2079-5263 08/23/02 17:09:14 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1J5P_A # Loading PARENT structure: 1j5p (chain: A) # Number of residues in PARENT structure: 235 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 77 # Total number of atoms in model: 77 # Number of atoms with 1.0 occupancy: 77 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 77 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1J5P_A ATOM 1 CA TRP 81 14.696 29.458 35.295 1.00 1.00 ATOM 2 CA GLY 82 12.287 27.769 32.893 1.00 1.00 ATOM 3 CA LEU 83 14.080 25.567 30.393 1.00 1.00 ATOM 4 CA CYS 84 13.581 23.360 27.387 1.00 1.00 ATOM 5 CA ILE 85 15.454 20.077 27.281 1.00 1.00 ATOM 6 CA VAL 86 15.783 18.268 23.969 1.00 1.00 ATOM 7 CA GLY 87 16.279 14.557 24.552 1.00 1.00 ATOM 8 CA MET 88 15.129 12.702 27.660 1.00 1.00 ATOM 9 CA GLY 89 17.717 9.948 27.606 1.00 1.00 ATOM 10 CA ARG 90 20.600 9.246 29.983 1.00 1.00 ATOM 11 CA LEU 91 21.727 12.876 30.180 1.00 1.00 ATOM 12 CA GLY 92 18.291 14.479 29.965 1.00 1.00 ATOM 13 CA SER 93 16.759 12.453 32.811 1.00 1.00 ATOM 14 CA ALA 94 19.791 13.096 34.969 1.00 1.00 ATOM 15 CA LEU 95 19.452 16.820 34.296 1.00 1.00 ATOM 16 CA ALA 96 15.837 16.878 35.438 1.00 1.00 ATOM 17 CA ASP 97 16.793 14.670 38.385 1.00 1.00 ATOM 18 CA TYR 98 19.695 16.831 39.566 1.00 1.00 ATOM 19 CA PRO 99 18.848 20.276 38.290 1.00 1.00 ATOM 20 CA SER 104 16.413 22.600 39.979 1.00 1.00 ATOM 21 CA PHE 105 14.057 24.233 37.521 1.00 1.00 ATOM 22 CA GLU 106 10.723 25.954 38.113 1.00 1.00 ATOM 23 CA LEU 107 9.425 24.563 34.819 1.00 1.00 ATOM 24 CA ARG 108 10.718 22.034 32.297 1.00 1.00 ATOM 25 CA GLY 109 9.603 21.544 28.723 1.00 1.00 ATOM 26 CA PHE 110 10.951 18.415 27.091 1.00 1.00 ATOM 27 CA PHE 111 10.969 17.107 23.549 1.00 1.00 ATOM 28 CA ASP 112 11.882 13.505 22.788 1.00 1.00 ATOM 29 CA LYS 117 10.440 11.261 20.076 1.00 1.00 ATOM 30 CA VAL 118 10.265 8.464 22.660 1.00 1.00 ATOM 31 CA GLY 119 7.009 7.368 24.274 1.00 1.00 ATOM 32 CA ARG 120 8.279 6.991 27.841 1.00 1.00 ATOM 33 CA PRO 121 5.867 8.354 30.435 1.00 1.00 ATOM 34 CA VAL 122 6.951 11.874 31.345 1.00 1.00 ATOM 35 CA ARG 123 7.784 12.582 35.001 1.00 1.00 ATOM 36 CA GLY 124 8.381 16.139 36.166 1.00 1.00 ATOM 37 CA GLY 125 8.290 17.628 32.672 1.00 1.00 ATOM 38 CA VAL 126 5.811 19.283 30.333 1.00 1.00 ATOM 39 CA ILE 127 5.959 16.855 27.398 1.00 1.00 ATOM 40 CA GLU 128 5.822 18.772 24.109 1.00 1.00 ATOM 41 CA HIS 129 4.295 16.910 21.174 1.00 1.00 ATOM 42 CA VAL 130 5.441 19.378 18.529 1.00 1.00 ATOM 43 CA GLN 135 8.925 20.815 18.778 1.00 1.00 ATOM 44 CA ARG 136 8.797 24.502 19.601 1.00 1.00 ATOM 45 CA VAL 137 10.418 27.023 21.904 1.00 1.00 ATOM 46 CA PRO 138 7.893 28.301 24.459 1.00 1.00 ATOM 47 CA GLY 139 8.107 32.049 25.026 1.00 1.00 ATOM 48 CA ARG 140 8.896 31.636 28.724 1.00 1.00 ATOM 49 CA ILE 141 12.001 29.513 28.058 1.00 1.00 ATOM 50 CA GLU 142 15.261 31.235 29.014 1.00 1.00 ATOM 51 CA ILE 143 17.621 28.334 28.210 1.00 1.00 ATOM 52 CA ALA 144 17.490 25.473 25.759 1.00 1.00 ATOM 53 CA LEU 145 19.605 22.394 26.430 1.00 1.00 ATOM 54 CA LEU 146 20.346 19.875 23.710 1.00 1.00 ATOM 55 CA THR 147 21.284 16.382 24.869 1.00 1.00 ATOM 56 CA VAL 148 19.651 14.349 22.148 1.00 1.00 ATOM 57 CA PRO 149 21.802 13.757 19.091 1.00 1.00 ATOM 58 CA ARG 150 23.851 15.401 16.298 1.00 1.00 ATOM 59 CA GLU 151 20.796 15.025 14.053 1.00 1.00 ATOM 60 CA ALA 152 18.755 16.982 16.594 1.00 1.00 ATOM 61 CA ALA 153 21.315 19.799 16.495 1.00 1.00 ATOM 62 CA GLN 154 20.908 20.120 12.731 1.00 1.00 ATOM 63 CA LYS 155 17.092 19.828 12.943 1.00 1.00 ATOM 64 CA ALA 156 16.238 22.454 15.559 1.00 1.00 ATOM 65 CA ALA 157 19.181 24.862 15.650 1.00 1.00 ATOM 66 CA ASP 158 17.759 27.132 12.939 1.00 1.00 ATOM 67 CA LEU 159 14.578 27.730 14.920 1.00 1.00 ATOM 68 CA LEU 160 16.188 27.835 18.348 1.00 1.00 ATOM 69 CA VAL 161 18.577 30.593 17.260 1.00 1.00 ATOM 70 CA ALA 162 15.574 32.767 16.461 1.00 1.00 ATOM 71 CA ALA 163 14.793 32.913 20.184 1.00 1.00 ATOM 72 CA GLY 164 16.445 35.072 22.888 1.00 1.00 ATOM 73 CA ILE 165 17.758 32.066 24.791 1.00 1.00 ATOM 74 CA LYS 166 20.964 30.519 26.079 1.00 1.00 ATOM 75 CA GLY 167 21.527 27.468 23.896 1.00 1.00 ATOM 76 CA ILE 168 23.767 24.737 25.341 1.00 1.00 ATOM 77 CA LEU 169 24.911 22.079 22.872 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:34:19 2002 Date: Fri, 23 Aug 2002 17:34:14 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 17:06:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_200670_32928 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS189_2 Current information on models submitted in prediction T0193TS189 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1GCU_A # Loading PARENT structure: 1gcu (chain: A) # Number of residues in PARENT structure: 292 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue P 121 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue F 171 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue V 175 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 92 # Total number of atoms in model: 92 # Number of atoms with 1.0 occupancy: 92 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 92 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1GCU_A ATOM 5 CA LEU 77 26.749 53.570 32.836 1.00 1.00 ATOM 6 CA ASN 78 23.332 54.784 34.062 1.00 1.00 ATOM 7 CA ARG 79 22.400 56.554 37.333 1.00 1.00 ATOM 8 CA LYS 80 19.085 54.930 38.154 1.00 1.00 ATOM 9 CA TRP 81 17.146 51.716 38.243 1.00 1.00 ATOM 10 CA GLY 82 14.245 51.499 35.800 1.00 1.00 ATOM 11 CA LEU 83 10.969 50.522 37.467 1.00 1.00 ATOM 12 CA CYS 84 7.791 48.863 36.272 1.00 1.00 ATOM 13 CA ILE 85 4.679 48.961 38.539 1.00 1.00 ATOM 14 CA VAL 86 2.430 45.938 38.155 1.00 1.00 ATOM 15 CA GLY 87 -1.146 46.494 39.264 1.00 1.00 ATOM 16 CA MET 88 -2.329 50.010 39.966 1.00 1.00 ATOM 17 CA GLY 89 -4.982 49.937 42.698 1.00 1.00 ATOM 18 CA ARG 90 -4.460 52.025 45.823 1.00 1.00 ATOM 19 CA LEU 91 -0.969 50.577 46.481 1.00 1.00 ATOM 20 CA GLY 92 0.288 50.842 42.869 1.00 1.00 ATOM 21 CA SER 93 -1.024 54.384 42.587 1.00 1.00 ATOM 22 CA ALA 94 0.877 55.323 45.780 1.00 1.00 ATOM 23 CA LEU 95 4.067 53.780 44.413 1.00 1.00 ATOM 24 CA ALA 96 3.651 55.785 41.188 1.00 1.00 ATOM 25 CA ASP 97 3.002 58.977 43.200 1.00 1.00 ATOM 26 CA TYR 98 6.052 58.196 45.333 1.00 1.00 ATOM 27 CA PRO 99 8.256 57.724 42.273 1.00 1.00 ATOM 28 CA GLY 100 7.606 61.423 41.648 1.00 1.00 ATOM 29 CA PHE 101 9.229 62.327 44.975 1.00 1.00 ATOM 33 CA GLY 102 13.966 60.239 41.833 1.00 1.00 ATOM 34 CA GLU 103 17.767 60.368 42.396 1.00 1.00 ATOM 35 CA SER 104 17.881 56.535 42.177 1.00 1.00 ATOM 36 CA PHE 105 14.779 55.341 40.336 1.00 1.00 ATOM 37 CA GLU 106 12.851 56.100 37.235 1.00 1.00 ATOM 38 CA LEU 107 9.473 54.849 36.107 1.00 1.00 ATOM 39 CA ARG 108 9.586 52.937 32.819 1.00 1.00 ATOM 40 CA GLY 109 6.036 51.677 32.554 1.00 1.00 ATOM 41 CA PHE 110 3.177 50.008 34.344 1.00 1.00 ATOM 42 CA PHE 111 1.045 46.915 33.850 1.00 1.00 ATOM 43 CA ASP 112 -2.686 46.828 34.606 1.00 1.00 ATOM 44 CA VAL 113 -5.723 44.595 34.059 1.00 1.00 ATOM 45 CA GLU 116 -7.567 47.892 33.265 1.00 1.00 ATOM 46 CA LYS 117 -7.110 50.129 30.233 1.00 1.00 ATOM 47 CA VAL 118 -5.357 53.178 31.610 1.00 1.00 ATOM 48 CA GLY 119 -3.069 53.650 28.530 1.00 1.00 ATOM 49 CA ARG 120 -0.748 56.490 29.831 1.00 1.00 ATOM 50 CA PRO 121 0.146 57.599 33.423 1.00 1.00 ATOM 51 CA ARG 123 2.846 60.047 34.469 1.00 1.00 ATOM 52 CA GLY 124 3.709 60.290 30.754 1.00 1.00 ATOM 53 CA GLY 125 4.681 56.618 30.341 1.00 1.00 ATOM 54 CA VAL 126 2.653 54.168 28.264 1.00 1.00 ATOM 55 CA ILE 127 0.919 51.184 29.795 1.00 1.00 ATOM 56 CA GLU 128 2.696 48.018 28.714 1.00 1.00 ATOM 57 CA HIS 129 1.834 44.344 28.542 1.00 1.00 ATOM 58 CA LEU 133 3.184 41.842 31.064 1.00 1.00 ATOM 59 CA PRO 134 5.048 40.186 28.191 1.00 1.00 ATOM 60 CA GLN 135 6.599 43.511 27.315 1.00 1.00 ATOM 61 CA ARG 136 7.535 44.277 30.935 1.00 1.00 ATOM 62 CA VAL 137 9.197 40.878 31.267 1.00 1.00 ATOM 63 CA PRO 138 11.222 41.210 28.024 1.00 1.00 ATOM 64 CA GLY 139 12.294 44.812 28.461 1.00 1.00 ATOM 66 CA ARG 140 15.244 48.872 30.308 1.00 1.00 ATOM 67 CA ILE 141 13.425 47.623 33.408 1.00 1.00 ATOM 68 CA GLU 142 15.595 46.569 36.377 1.00 1.00 ATOM 69 CA ILE 143 12.857 46.434 39.014 1.00 1.00 ATOM 70 CA ALA 144 9.258 45.331 39.297 1.00 1.00 ATOM 71 CA LEU 145 6.875 46.610 41.973 1.00 1.00 ATOM 72 CA LEU 146 4.169 43.969 42.388 1.00 1.00 ATOM 73 CA THR 147 1.061 45.756 43.604 1.00 1.00 ATOM 74 CA VAL 148 -1.654 43.548 42.116 1.00 1.00 ATOM 75 CA PRO 149 -4.286 41.667 44.070 1.00 1.00 ATOM 76 CA ARG 150 -2.623 39.285 46.502 1.00 1.00 ATOM 77 CA GLU 151 -3.880 36.161 44.758 1.00 1.00 ATOM 78 CA ALA 152 -1.704 37.044 41.766 1.00 1.00 ATOM 79 CA ALA 153 1.420 38.016 43.730 1.00 1.00 ATOM 80 CA GLN 154 3.050 34.625 43.552 1.00 1.00 ATOM 81 CA LYS 155 2.727 34.262 39.784 1.00 1.00 ATOM 82 CA ALA 156 3.968 37.791 39.068 1.00 1.00 ATOM 83 CA ALA 157 6.929 37.469 41.402 1.00 1.00 ATOM 84 CA ASP 158 7.933 34.181 39.803 1.00 1.00 ATOM 85 CA LEU 159 7.717 35.557 36.290 1.00 1.00 ATOM 86 CA LEU 160 9.693 38.730 37.043 1.00 1.00 ATOM 87 CA VAL 161 12.450 36.967 38.956 1.00 1.00 ATOM 88 CA ALA 162 12.628 34.471 36.080 1.00 1.00 ATOM 89 CA ALA 163 12.990 37.470 33.743 1.00 1.00 ATOM 90 CA GLY 164 15.880 38.819 35.826 1.00 1.00 ATOM 91 CA ILE 165 14.112 41.710 37.584 1.00 1.00 ATOM 92 CA LYS 166 14.576 42.667 41.262 1.00 1.00 ATOM 93 CA GLY 167 11.150 42.510 42.876 1.00 1.00 ATOM 94 CA ILE 168 9.414 44.566 45.545 1.00 1.00 ATOM 95 CA LEU 169 6.011 43.095 46.418 1.00 1.00 ATOM 96 CA ASN 170 3.338 44.365 48.852 1.00 1.00 ATOM 97 CA PHE 171 2.579 41.775 51.541 1.00 1.00 ATOM 98 CA PRO 173 1.627 39.003 51.475 1.00 1.00 ATOM 99 CA VAL 174 4.178 37.865 48.899 1.00 1.00 ATOM 100 CA VAL 175 2.208 34.590 48.502 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:38:08 2002 Date: Fri, 23 Aug 2002 17:38:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 17:09:55 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_234846_32939 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS189_3 Current information on models submitted in prediction T0193TS189 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_3 PIN_234846_32939 5035-2079-5263 08/23/02 17:09:55 casp5@bialko.llnl.gov T0193TS189_4 PIN_229337_32937 5035-2079-5263 08/23/02 17:09:14 casp5@bialko.llnl.gov T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov T0193TS189_3 PIN_234846_32939 5035-2079-5263 08/23/02 17:09:55 casp5@bialko.llnl.gov T0193TS189_4 PIN_229337_32937 5035-2079-5263 08/23/02 17:09:14 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1CF2_O # Loading PARENT structure: 1cf2 (chain: O) # Number of residues in PARENT structure: 336 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue D 158 # IMPORTANT NOTE! Not complete main chain atoms for residue L 159 # IMPORTANT NOTE! Not complete main chain atoms for residue L 160 # IMPORTANT NOTE! Not complete main chain atoms for residue V 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue G 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 87 # Total number of atoms in model: 87 # Number of atoms with 1.0 occupancy: 87 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 87 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1CF2_O ATOM 1 CA LYS 80 60.329 38.735 -31.946 1.00 1.00 ATOM 2 CA TRP 81 62.395 39.035 -28.767 1.00 1.00 ATOM 3 CA GLY 82 61.894 35.632 -27.110 1.00 1.00 ATOM 4 CA LEU 83 60.808 36.053 -23.483 1.00 1.00 ATOM 5 CA CYS 84 60.954 33.247 -20.911 1.00 1.00 ATOM 6 CA ILE 85 58.788 33.487 -17.759 1.00 1.00 ATOM 7 CA VAL 86 60.440 31.683 -14.849 1.00 1.00 ATOM 8 CA GLY 87 57.554 31.190 -12.417 1.00 1.00 ATOM 9 CA MET 88 54.001 31.095 -13.881 1.00 1.00 ATOM 10 CA GLY 89 52.336 32.237 -10.630 1.00 1.00 ATOM 11 CA ARG 90 50.311 35.263 -9.569 1.00 1.00 ATOM 12 CA LEU 91 52.525 37.837 -11.284 1.00 1.00 ATOM 13 CA GLY 92 54.047 35.368 -13.724 1.00 1.00 ATOM 14 CA SER 93 50.863 34.294 -15.483 1.00 1.00 ATOM 15 CA ALA 94 49.799 37.946 -15.951 1.00 1.00 ATOM 16 CA LEU 95 53.209 39.050 -17.225 1.00 1.00 ATOM 17 CA ALA 96 53.075 36.096 -19.669 1.00 1.00 ATOM 18 CA ASP 97 49.848 37.422 -21.229 1.00 1.00 ATOM 19 CA TYR 98 51.003 41.069 -21.312 1.00 1.00 ATOM 20 CA PRO 99 54.268 40.124 -23.052 1.00 1.00 ATOM 21 CA GLY 100 52.282 37.993 -25.505 1.00 1.00 ATOM 22 CA PHE 101 49.945 40.937 -26.235 1.00 1.00 ATOM 23 CA GLY 102 52.835 43.166 -27.477 1.00 1.00 ATOM 24 CA GLU 103 53.846 43.294 -31.161 1.00 1.00 ATOM 25 CA SER 104 57.639 43.081 -30.588 1.00 1.00 ATOM 26 CA PHE 105 57.777 40.186 -28.134 1.00 1.00 ATOM 27 CA GLU 106 56.361 36.685 -27.807 1.00 1.00 ATOM 28 CA LEU 107 56.384 34.186 -24.959 1.00 1.00 ATOM 29 CA ARG 108 58.552 31.154 -25.680 1.00 1.00 ATOM 30 CA GLY 109 58.081 29.526 -22.274 1.00 1.00 ATOM 31 CA PHE 110 56.553 29.642 -18.787 1.00 1.00 ATOM 32 CA PHE 111 57.761 27.446 -15.911 1.00 1.00 ATOM 33 CA ASP 112 56.122 25.668 -13.005 1.00 1.00 ATOM 34 CA VAL 113 57.261 23.409 -10.171 1.00 1.00 ATOM 35 CA ASP 114 53.998 21.447 -9.728 1.00 1.00 ATOM 36 CA PRO 115 51.396 19.899 -11.997 1.00 1.00 ATOM 37 CA GLU 116 48.203 21.729 -11.028 1.00 1.00 ATOM 46 CA VAL 118 46.604 29.359 -23.536 1.00 1.00 ATOM 47 CA GLY 119 49.185 28.045 -26.008 1.00 1.00 ATOM 48 CA ARG 123 52.352 28.474 -23.979 1.00 1.00 ATOM 49 CA GLY 124 55.145 25.958 -23.852 1.00 1.00 ATOM 50 CA GLY 125 55.449 24.658 -20.319 1.00 1.00 ATOM 51 CA VAL 126 58.835 23.983 -18.744 1.00 1.00 ATOM 52 CA ILE 127 59.674 22.460 -15.351 1.00 1.00 ATOM 53 CA GLU 128 61.842 24.030 -12.626 1.00 1.00 ATOM 54 CA HIS 129 64.225 21.098 -11.927 1.00 1.00 ATOM 55 CA VAL 130 64.671 17.973 -14.081 1.00 1.00 ATOM 56 CA ASP 131 63.584 15.417 -11.483 1.00 1.00 ATOM 57 CA LEU 132 60.075 16.878 -11.216 1.00 1.00 ATOM 58 CA LEU 133 59.365 16.306 -14.919 1.00 1.00 ATOM 59 CA PRO 134 58.127 12.786 -14.048 1.00 1.00 ATOM 60 CA GLN 135 55.407 14.393 -11.894 1.00 1.00 ATOM 61 CA ARG 136 54.036 16.321 -14.889 1.00 1.00 ATOM 62 CA VAL 137 54.210 13.233 -17.118 1.00 1.00 ATOM 76 CA PRO 138 66.672 29.692 -21.027 1.00 1.00 ATOM 77 CA GLY 139 68.823 28.315 -23.868 1.00 1.00 ATOM 78 CA ARG 140 66.207 29.847 -26.283 1.00 1.00 ATOM 79 CA ILE 141 65.427 33.193 -24.660 1.00 1.00 ATOM 80 CA GLU 142 66.520 36.756 -25.349 1.00 1.00 ATOM 81 CA ILE 143 65.685 37.542 -21.734 1.00 1.00 ATOM 82 CA ALA 144 63.979 35.909 -18.769 1.00 1.00 ATOM 83 CA LEU 145 61.404 37.514 -16.441 1.00 1.00 ATOM 84 CA LEU 146 61.800 35.959 -13.010 1.00 1.00 ATOM 85 CA THR 147 58.506 35.703 -11.106 1.00 1.00 ATOM 86 CA VAL 148 59.557 33.158 -8.437 1.00 1.00 ATOM 87 CA PRO 149 58.948 33.522 -4.689 1.00 1.00 ATOM 88 CA ARG 150 60.832 36.169 -2.705 1.00 1.00 ATOM 89 CA GLU 151 64.475 35.185 -2.350 1.00 1.00 ATOM 90 CA ALA 152 64.447 32.583 -5.146 1.00 1.00 ATOM 91 CA ALA 153 65.128 35.200 -7.825 1.00 1.00 ATOM 92 CA GLN 154 68.558 36.014 -6.320 1.00 1.00 ATOM 93 CA LYS 155 69.263 32.278 -6.251 1.00 1.00 ATOM 94 CA ALA 156 68.287 31.990 -9.944 1.00 1.00 ATOM 95 CA ALA 157 70.703 34.838 -10.804 1.00 1.00 ATOM 96 CA ASP 158 73.821 32.626 -10.558 1.00 1.00 ATOM 97 CA LEU 159 72.210 30.402 -13.186 1.00 1.00 ATOM 98 CA LEU 160 71.229 33.405 -15.313 1.00 1.00 ATOM 99 CA VAL 161 74.779 34.746 -15.362 1.00 1.00 ATOM 100 CA ALA 162 76.147 31.244 -16.044 1.00 1.00 ATOM 101 CA ALA 163 73.852 30.962 -19.102 1.00 1.00 ATOM 102 CA GLY 164 74.768 34.570 -19.890 1.00 1.00 ATOM 103 CA ILE 165 71.076 35.563 -20.122 1.00 1.00 ATOM 104 CA LYS 166 69.634 38.952 -19.098 1.00 1.00 ATOM 105 CA GLY 167 66.767 39.059 -16.571 1.00 1.00 ATOM 106 CA ILE 168 64.038 41.109 -14.842 1.00 1.00 ATOM 107 CA LEU 169 63.163 40.415 -11.207 1.00 1.00 ATOM 108 CA ASN 170 60.152 41.314 -9.094 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 17:37:18 2002 Date: Fri, 23 Aug 2002 17:37:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0193 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 17:09:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_229337_32937 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0193TS189_4 Current information on models submitted in prediction T0193TS189 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_4 PIN_229337_32937 5035-2079-5263 08/23/02 17:09:14 casp5@bialko.llnl.gov T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0193 MODEL_INDEX PIN CODE DATE E-mail T0193TS189_2 PIN_200670_32928 5035-2079-5263 08/23/02 17:06:10 casp5@bialko.llnl.gov T0193TS189_4 PIN_229337_32937 5035-2079-5263 08/23/02 17:09:14 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1DAP_A # Loading PARENT structure: 1dap (chain: A) # Number of residues in PARENT structure: 320 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue W 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue L 83 # IMPORTANT NOTE! Not complete main chain atoms for residue C 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue M 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue G 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue A 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue S 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue R 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue F 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue V 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue K 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue E 128 # IMPORTANT NOTE! Not complete main chain atoms for residue H 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue L 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue R 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue T 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue P 149 # IMPORTANT NOTE! Not complete main chain atoms for residue R 150 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0193 # Total number of residues in target: 211 # Total number of residues in model: 66 # Total number of atoms in model: 66 # Number of atoms with 1.0 occupancy: 66 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 66 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0193 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1DAP_A ATOM 3 CA LYS 80 20.338 64.980 19.416 1.00 1.00 ATOM 4 CA TRP 81 19.485 62.939 16.347 1.00 1.00 ATOM 5 CA GLY 82 18.024 65.432 13.955 1.00 1.00 ATOM 6 CA LEU 83 14.533 64.464 12.791 1.00 1.00 ATOM 7 CA CYS 84 11.770 65.779 10.533 1.00 1.00 ATOM 8 CA ILE 85 8.187 64.787 9.816 1.00 1.00 ATOM 9 CA VAL 86 6.837 64.125 6.385 1.00 1.00 ATOM 10 CA GLY 87 3.012 64.603 6.308 1.00 1.00 ATOM 11 CA MET 88 1.004 66.535 8.904 1.00 1.00 ATOM 12 CA GLY 89 -2.158 64.639 9.827 1.00 1.00 ATOM 13 CA ARG 90 -3.131 63.091 13.174 1.00 1.00 ATOM 14 CA LEU 91 -0.055 60.873 13.296 1.00 1.00 ATOM 15 CA GLY 92 2.219 63.712 12.192 1.00 1.00 ATOM 16 CA SER 93 0.801 65.840 15.025 1.00 1.00 ATOM 17 CA ALA 94 1.341 63.071 17.583 1.00 1.00 ATOM 18 CA LEU 95 4.959 62.659 16.570 1.00 1.00 ATOM 19 CA ALA 96 5.546 66.424 16.822 1.00 1.00 ATOM 20 CA ASP 97 4.123 66.573 20.252 1.00 1.00 ATOM 21 CA TYR 98 6.090 63.551 21.609 1.00 1.00 ATOM 22 CA PRO 99 9.483 64.587 20.359 1.00 1.00 ATOM 23 CA GLY 100 9.540 67.152 23.192 1.00 1.00 ATOM 24 CA PHE 101 9.592 64.245 25.627 1.00 1.00 ATOM 25 CA GLY 102 12.626 62.626 24.018 1.00 1.00 ATOM 26 CA GLU 103 16.008 63.325 25.564 1.00 1.00 ATOM 27 CA SER 104 17.962 62.886 22.414 1.00 1.00 ATOM 28 CA PHE 105 16.111 64.271 19.447 1.00 1.00 ATOM 29 CA GLU 106 15.865 67.613 17.771 1.00 1.00 ATOM 30 CA LEU 107 12.866 68.527 15.564 1.00 1.00 ATOM 31 CA ARG 108 14.174 70.219 12.477 1.00 1.00 ATOM 32 CA GLY 109 10.757 70.965 10.847 1.00 1.00 ATOM 33 CA PHE 110 7.819 69.663 8.785 1.00 1.00 ATOM 34 CA PHE 111 7.685 68.702 5.125 1.00 1.00 ATOM 35 CA ASP 112 4.191 69.307 3.836 1.00 1.00 ATOM 36 CA VAL 113 2.133 69.553 0.699 1.00 1.00 ATOM 37 CA ASP 114 0.277 72.514 2.119 1.00 1.00 ATOM 38 CA PRO 115 1.857 75.864 2.854 1.00 1.00 ATOM 39 CA GLU 116 0.120 76.809 6.079 1.00 1.00 ATOM 40 CA LYS 117 -0.182 74.601 9.155 1.00 1.00 ATOM 41 CA VAL 122 -1.543 75.045 12.666 1.00 1.00 ATOM 42 CA ARG 123 1.926 75.138 14.078 1.00 1.00 ATOM 43 CA GLY 124 5.035 76.938 15.164 1.00 1.00 ATOM 44 CA GLY 125 7.581 74.405 13.895 1.00 1.00 ATOM 45 CA VAL 126 8.962 75.454 10.566 1.00 1.00 ATOM 46 CA ILE 127 7.325 74.171 7.504 1.00 1.00 ATOM 47 CA GLU 128 8.937 73.242 4.240 1.00 1.00 ATOM 48 CA HIS 129 7.751 72.132 0.849 1.00 1.00 ATOM 49 CA VAL 130 7.980 68.372 0.418 1.00 1.00 ATOM 50 CA ASP 131 9.640 68.943 -2.951 1.00 1.00 ATOM 51 CA LEU 132 12.457 70.660 -1.208 1.00 1.00 ATOM 52 CA LEU 133 13.423 67.702 0.849 1.00 1.00 ATOM 53 CA PRO 134 16.366 67.251 -1.526 1.00 1.00 ATOM 54 CA GLN 135 17.835 70.560 -0.295 1.00 1.00 ATOM 55 CA ARG 136 17.725 69.766 3.487 1.00 1.00 ATOM 56 CA PRO 138 19.468 66.499 3.156 1.00 1.00 ATOM 57 CA GLY 139 22.188 67.285 5.587 1.00 1.00 ATOM 58 CA ARG 140 20.221 68.850 8.450 1.00 1.00 ATOM 59 CA ILE 141 18.422 65.624 9.015 1.00 1.00 ATOM 60 CA GLU 142 19.210 62.152 10.318 1.00 1.00 ATOM 61 CA ILE 143 15.818 60.498 10.209 1.00 1.00 ATOM 62 CA ALA 144 12.572 61.280 8.420 1.00 1.00 ATOM 63 CA LEU 145 9.354 60.089 10.067 1.00 1.00 ATOM 64 CA LEU 146 6.917 59.377 7.157 1.00 1.00 ATOM 65 CA THR 147 3.427 60.135 8.295 1.00 1.00 ATOM 66 CA VAL 148 1.524 60.301 5.082 1.00 1.00 ATOM 67 CA PRO 149 -1.183 57.937 3.811 1.00 1.00 ATOM 68 CA ARG 150 -0.663 54.158 3.667 1.00 1.00 TER END ################################ # # # END # # # ################################