From mailer@bialko.llnl.gov Tue Jul 16 19:05:29 2002 Date: Tue, 16 Jul 2002 19:05:23 -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 16 18:38:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_498784_12203 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147SS389_1 Current information on models submitted in prediction T0147SS389 MODEL_INDEX PIN CODE DATE E-mail T0147SS389_1 PIN_498784_12203 1549-8716-6404 07/16/02 18:38:11 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147SS389_1 PIN_498784_12203 1549-8716-6404 07/16/02 18:38:11 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 T0147 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: 245 # Number of residues with nonzero confidence: 245 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0147 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0147.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0147.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0147.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 T0147.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0147 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 T0147.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 80 METHOD METHOD ============================================ METHOD Comments from T0147.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0147 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 T0147.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 80 METHOD METHOD ============================================ METHOD Comments from T0147.t2k.str.rdb METHOD ============================================ METHOD TARGET T0147 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 T0147.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 80 METHOD METHOD ============================================ MODEL 1 M C 0.97 Y C 0.76 P C 0.62 V C 0.57 D C 0.51 L E 0.73 H E 0.79 M E 0.79 H E 0.70 T C 0.53 V C 0.55 A C 0.74 S C 0.85 T C 0.87 H C 0.85 A C 0.79 Y C 0.78 S C 0.83 T C 0.87 L H 0.95 S H 0.97 D H 0.97 Y H 0.97 I H 0.97 A H 0.97 Q H 0.97 A H 0.97 K H 0.97 Q H 0.92 K C 0.60 G C 0.98 I C 0.94 K C 0.51 L E 0.97 F E 0.98 A E 0.98 I E 0.95 T E 0.65 D C 0.77 H C 0.85 G C 0.81 P C 0.73 D C 0.67 M C 0.70 E C 0.70 D C 0.54 A H 0.57 P H 0.58 H H 0.69 H H 0.77 W H 0.78 H H 0.85 F H 0.88 I H 0.88 N H 0.89 M H 0.88 R H 0.87 I H 0.85 W H 0.80 P H 0.82 R H 0.77 V H 0.69 V C 0.48 D C 0.77 G C 0.92 V C 0.74 G E 0.65 I E 0.76 L E 0.60 R C 0.50 G E 0.61 I E 0.86 E E 0.94 A E 0.92 N E 0.93 I E 0.92 K E 0.84 N C 0.58 V C 0.92 D C 0.92 G C 0.71 E E 0.57 I E 0.78 D E 0.65 C E 0.50 S C 0.63 G C 0.49 K H 0.53 M H 0.51 F H 0.48 D C 0.59 S C 0.56 L C 0.65 D C 0.68 L E 0.57 I E 0.80 I E 0.88 A E 0.88 G E 0.83 F E 0.73 H E 0.61 E C 0.45 P C 0.51 V C 0.61 F C 0.73 A C 0.74 P C 0.76 H C 0.65 D C 0.61 K H 0.61 A H 0.66 T H 0.68 N H 0.84 T H 0.94 Q H 0.96 A H 0.97 M H 0.97 I H 0.97 A H 0.97 T H 0.96 I H 0.94 A H 0.87 S H 0.59 G C 0.85 N C 0.92 V C 0.76 H C 0.51 I E 0.76 I E 0.70 S E 0.53 H C 0.72 P C 0.80 G C 0.78 N C 0.66 P C 0.48 K H 0.47 Y H 0.46 E C 0.49 I C 0.56 D C 0.61 V C 0.58 K C 0.67 A C 0.54 V C 0.43 A H 0.50 E H 0.49 A H 0.92 A H 0.94 A H 0.95 K H 0.95 H H 0.95 Q H 0.93 V H 0.93 A H 0.92 L H 0.91 E H 0.84 I H 0.56 N C 0.87 N C 0.82 S C 0.60 S C 0.46 F E 0.42 L C 0.43 H C 0.62 S C 0.80 R C 0.86 K C 0.76 G C 0.73 S C 0.68 E C 0.70 D C 0.76 N C 0.76 C H 0.56 R H 0.96 E H 0.97 V H 0.97 A H 0.97 A H 0.97 A H 0.97 V H 0.97 R H 0.97 D H 0.94 A C 0.54 G C 0.98 G C 0.94 W E 0.63 V E 0.92 A E 0.95 L E 0.91 G E 0.61 S C 0.81 D C 0.82 S C 0.77 H C 0.78 T C 0.85 A C 0.59 F C 0.57 T C 0.52 M H 0.58 G H 0.59 E H 0.70 F H 0.93 E H 0.97 E H 0.97 C H 0.98 L H 0.98 K H 0.98 I H 0.98 L H 0.98 D H 0.97 A H 0.93 V H 0.52 D C 0.97 F C 0.98 P C 0.96 P H 0.72 E H 0.78 R H 0.79 I H 0.70 L H 0.62 N H 0.55 V C 0.52 S C 0.68 P H 0.55 R H 0.81 R H 0.86 L H 0.91 L H 0.94 N H 0.94 F H 0.95 L H 0.95 E H 0.94 S H 0.86 R H 0.58 G C 0.86 M C 0.88 A C 0.81 P C 0.70 I H 0.55 A H 0.67 E H 0.67 F C 0.50 A C 0.71 D C 0.86 L C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:46:07 2002 Date: Tue, 30 Jul 2002 02:46:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:18:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_309776_16763 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS189_1 Current information on models submitted in prediction T0147TS189 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_1 PIN_309776_16763 5035-2079-5263 07/30/02 02:18:20 casp5@bialko.llnl.gov T0147TS189_4 PIN_280558_16755 5035-2079-5263 07/30/02 02:15:52 casp5@bialko.llnl.gov T0147TS189_3 PIN_279164_16753 5035-2079-5263 07/30/02 02:15:18 casp5@bialko.llnl.gov T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_1 PIN_309776_16763 5035-2079-5263 07/30/02 02:18:20 casp5@bialko.llnl.gov T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 casp5@bialko.llnl.gov T0147TS189_3 PIN_279164_16753 5035-2079-5263 07/30/02 02:15:18 casp5@bialko.llnl.gov T0147TS189_4 PIN_280558_16755 5035-2079-5263 07/30/02 02:15:52 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 TS PFRMAT TS TARGET T0147 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1FRB # Loading PARENT structure: 1frb (chain: ) # Number of residues in PARENT structure: 315 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue N 55 # IMPORTANT NOTE! Not complete main chain atoms for residue M 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue W 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue S 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue H 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue M 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue E 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue C 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue K 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue R 218 # IMPORTANT NOTE! Not complete main chain atoms for residue I 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 156 # Total number of atoms in model: 156 # Number of atoms with 1.0 occupancy: 156 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 156 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1FRB ATOM 27 CA LEU 20 79.280 -22.042 29.299 1.00 1.00 ATOM 28 CA SER 21 78.762 -24.792 31.898 1.00 1.00 ATOM 29 CA ASP 22 81.676 -26.931 30.750 1.00 1.00 ATOM 30 CA TYR 23 83.809 -23.829 30.143 1.00 1.00 ATOM 31 CA ILE 24 83.329 -22.718 33.778 1.00 1.00 ATOM 32 CA ALA 25 84.123 -26.260 34.976 1.00 1.00 ATOM 33 CA GLN 26 87.316 -26.267 32.889 1.00 1.00 ATOM 34 CA ALA 27 88.247 -22.860 34.309 1.00 1.00 ATOM 35 CA LYS 28 87.784 -24.024 37.900 1.00 1.00 ATOM 36 CA GLN 29 89.942 -27.064 37.138 1.00 1.00 ATOM 37 CA LYS 30 92.584 -24.724 35.660 1.00 1.00 ATOM 38 CA GLY 31 92.767 -22.755 38.925 1.00 1.00 ATOM 39 CA ILE 32 90.304 -19.940 38.133 1.00 1.00 ATOM 40 CA LYS 33 88.493 -18.805 41.288 1.00 1.00 ATOM 41 CA LEU 34 86.709 -15.743 39.849 1.00 1.00 ATOM 42 CA PHE 35 83.848 -15.753 37.281 1.00 1.00 ATOM 43 CA GLY 41 82.537 -12.534 35.746 1.00 1.00 ATOM 44 CA PRO 42 78.840 -12.824 34.926 1.00 1.00 ATOM 46 CA ASP 43 72.077 -10.775 33.840 1.00 1.00 ATOM 47 CA MET 44 72.541 -9.349 30.314 1.00 1.00 ATOM 48 CA GLU 45 74.723 -12.246 29.178 1.00 1.00 ATOM 49 CA ASP 46 71.681 -14.606 29.249 1.00 1.00 ATOM 50 CA ALA 47 73.674 -17.613 30.458 1.00 1.00 ATOM 51 CA PRO 48 73.807 -17.268 34.290 1.00 1.00 ATOM 52 CA HIS 49 71.701 -20.385 34.770 1.00 1.00 ATOM 53 CA HIS 50 74.397 -22.508 33.108 1.00 1.00 ATOM 54 CA TRP 51 77.233 -20.767 34.923 1.00 1.00 ATOM 55 CA HIS 52 75.285 -21.692 38.083 1.00 1.00 ATOM 56 CA PHE 53 75.122 -25.342 37.054 1.00 1.00 ATOM 57 CA ILE 54 78.903 -25.441 36.775 1.00 1.00 ATOM 58 CA ASN 55 79.603 -23.880 40.162 1.00 1.00 ATOM 59 CA MET 56 77.048 -26.092 41.815 1.00 1.00 ATOM 60 CA ARG 57 78.589 -29.201 40.315 1.00 1.00 ATOM 61 CA ILE 58 82.155 -28.381 41.309 1.00 1.00 ATOM 62 CA TRP 59 81.067 -27.630 44.862 1.00 1.00 ATOM 63 CA PRO 60 79.043 -30.852 44.950 1.00 1.00 ATOM 64 CA ARG 61 82.003 -32.812 43.677 1.00 1.00 ATOM 65 CA LYS 88 84.114 -31.247 46.427 1.00 1.00 ATOM 66 CA MET 89 86.646 -29.729 44.028 1.00 1.00 ATOM 67 CA PHE 90 86.226 -26.366 45.841 1.00 1.00 ATOM 68 CA ASP 91 84.053 -24.697 48.485 1.00 1.00 ATOM 69 CA SER 92 81.897 -21.631 47.790 1.00 1.00 ATOM 70 CA LEU 93 84.197 -19.349 49.757 1.00 1.00 ATOM 71 CA ASP 94 87.072 -20.262 47.459 1.00 1.00 ATOM 72 CA LEU 95 85.193 -18.558 44.633 1.00 1.00 ATOM 73 CA ILE 96 84.598 -14.902 43.772 1.00 1.00 ATOM 74 CA ILE 97 81.409 -14.512 41.743 1.00 1.00 ATOM 75 CA ALA 98 80.529 -11.214 40.091 1.00 1.00 ATOM 76 CA GLY 99 77.292 -10.165 38.420 1.00 1.00 ATOM 77 CA PHE 100 75.810 -6.866 37.289 1.00 1.00 ATOM 78 CA HIS 101 72.567 -4.849 37.325 1.00 1.00 ATOM 79 CA GLU 102 71.426 -3.921 33.797 1.00 1.00 ATOM 80 CA PRO 103 70.213 -0.306 33.488 1.00 1.00 ATOM 81 CA VAL 104 66.606 -1.245 32.576 1.00 1.00 ATOM 82 CA PHE 105 66.287 -2.354 36.228 1.00 1.00 ATOM 83 CA ALA 106 67.491 0.643 38.272 1.00 1.00 ATOM 84 CA PRO 107 64.017 1.238 39.789 1.00 1.00 ATOM 85 CA HIS 108 63.875 -0.457 43.199 1.00 1.00 ATOM 86 CA ASP 109 61.062 -2.911 42.513 1.00 1.00 ATOM 137 CA LYS 110 72.429 4.994 39.307 1.00 1.00 ATOM 138 CA ALA 111 72.287 6.738 42.700 1.00 1.00 ATOM 139 CA THR 112 68.749 5.486 43.185 1.00 1.00 ATOM 140 CA ASN 113 69.802 2.033 42.041 1.00 1.00 ATOM 141 CA THR 114 72.732 2.229 44.476 1.00 1.00 ATOM 142 CA GLN 115 70.373 2.446 47.440 1.00 1.00 ATOM 143 CA ALA 116 68.631 -0.790 46.388 1.00 1.00 ATOM 144 CA MET 117 72.043 -2.419 46.014 1.00 1.00 ATOM 145 CA ILE 118 73.128 -1.273 49.493 1.00 1.00 ATOM 146 CA ALA 119 70.070 -3.024 50.896 1.00 1.00 ATOM 147 CA THR 120 71.206 -6.295 49.328 1.00 1.00 ATOM 148 CA ILE 121 74.513 -5.884 51.158 1.00 1.00 ATOM 149 CA ALA 122 72.660 -5.233 54.384 1.00 1.00 ATOM 150 CA SER 123 70.593 -8.357 53.773 1.00 1.00 ATOM 151 CA GLY 124 73.774 -10.442 53.480 1.00 1.00 ATOM 152 CA ASN 125 73.120 -11.359 49.848 1.00 1.00 ATOM 153 CA VAL 126 76.002 -9.393 48.280 1.00 1.00 ATOM 154 CA HIS 127 79.411 -8.913 49.958 1.00 1.00 ATOM 155 CA ILE 128 80.410 -5.735 48.132 1.00 1.00 ATOM 156 CA ILE 129 79.283 -3.329 45.401 1.00 1.00 ATOM 157 CA SER 130 80.990 -1.724 42.453 1.00 1.00 ATOM 158 CA HIS 131 80.424 0.132 39.203 1.00 1.00 ATOM 159 CA PRO 132 81.206 -0.491 35.573 1.00 1.00 ATOM 160 CA GLY 133 81.823 1.886 32.628 1.00 1.00 ATOM 161 CA ASN 134 81.883 4.855 34.974 1.00 1.00 ATOM 162 CA PRO 135 84.090 7.894 34.353 1.00 1.00 ATOM 163 CA LYS 136 85.561 9.854 37.290 1.00 1.00 ATOM 164 CA HIS 151 82.753 12.436 37.350 1.00 1.00 ATOM 165 CA GLN 152 80.204 9.640 37.822 1.00 1.00 ATOM 166 CA VAL 153 82.295 7.993 40.543 1.00 1.00 ATOM 167 CA ALA 154 82.636 11.365 42.308 1.00 1.00 ATOM 168 CA LEU 155 78.852 11.773 42.399 1.00 1.00 ATOM 169 CA GLU 156 78.488 8.334 43.946 1.00 1.00 ATOM 170 CA ILE 157 81.264 8.912 46.517 1.00 1.00 ATOM 171 CA ASN 158 79.646 12.242 47.389 1.00 1.00 ATOM 172 CA ASN 159 76.103 10.830 47.633 1.00 1.00 ATOM 173 CA SER 160 74.375 11.978 50.813 1.00 1.00 ATOM 174 CA SER 161 73.828 9.090 53.149 1.00 1.00 ATOM 175 CA PHE 162 76.192 6.757 51.247 1.00 1.00 ATOM 176 CA LEU 163 76.332 3.497 53.198 1.00 1.00 ATOM 177 CA HIS 164 78.648 1.246 51.157 1.00 1.00 ATOM 178 CA SER 165 81.369 2.626 48.903 1.00 1.00 ATOM 179 CA ARG 166 82.177 1.133 45.487 1.00 1.00 ATOM 186 CA LYS 167 91.458 -1.860 29.352 1.00 1.00 ATOM 187 CA GLY 168 94.279 -3.225 27.164 1.00 1.00 ATOM 188 CA SER 169 97.373 -1.851 25.358 1.00 1.00 ATOM 189 CA GLU 170 95.237 0.137 22.873 1.00 1.00 ATOM 190 CA ASP 171 93.172 1.702 25.735 1.00 1.00 ATOM 191 CA ASN 172 95.555 1.961 28.703 1.00 1.00 ATOM 192 CA CYS 173 93.292 4.063 30.958 1.00 1.00 ATOM 193 CA ARG 174 96.181 5.719 32.820 1.00 1.00 ATOM 194 CA GLU 175 94.192 8.586 34.272 1.00 1.00 ATOM 195 CA VAL 176 91.136 6.553 35.188 1.00 1.00 ATOM 196 CA ALA 177 93.305 3.904 36.901 1.00 1.00 ATOM 197 CA ALA 178 95.207 6.579 38.814 1.00 1.00 ATOM 198 CA ALA 179 91.963 8.202 39.944 1.00 1.00 ATOM 199 CA VAL 180 90.373 4.918 41.043 1.00 1.00 ATOM 200 CA ARG 181 93.456 3.825 43.008 1.00 1.00 ATOM 201 CA ASP 182 93.634 7.250 44.630 1.00 1.00 ATOM 202 CA ALA 183 90.120 6.654 45.979 1.00 1.00 ATOM 203 CA GLY 184 90.848 3.051 47.108 1.00 1.00 ATOM 204 CA GLY 185 88.787 1.665 44.224 1.00 1.00 ATOM 205 CA TRP 186 90.188 -1.284 42.300 1.00 1.00 ATOM 206 CA VAL 187 89.885 -1.676 38.540 1.00 1.00 ATOM 207 CA ALA 188 88.866 -4.764 36.563 1.00 1.00 ATOM 208 CA LEU 189 89.926 -4.703 32.894 1.00 1.00 ATOM 209 CA GLY 190 87.420 -6.183 30.412 1.00 1.00 ATOM 210 CA SER 191 87.949 -7.123 26.743 1.00 1.00 ATOM 211 CA ASP 192 91.697 -7.580 27.477 1.00 1.00 ATOM 212 CA SER 193 92.237 -9.440 24.202 1.00 1.00 ATOM 213 CA HIS 194 90.300 -6.879 22.154 1.00 1.00 ATOM 214 CA THR 195 87.050 -8.874 22.066 1.00 1.00 ATOM 215 CA ALA 196 87.631 -10.474 18.631 1.00 1.00 ATOM 216 CA PHE 197 84.255 -12.182 18.851 1.00 1.00 ATOM 217 CA THR 198 82.279 -8.999 19.540 1.00 1.00 ATOM 227 CA MET 199 95.873 -7.010 19.681 1.00 1.00 ATOM 228 CA GLY 200 96.327 -10.765 19.169 1.00 1.00 ATOM 229 CA GLU 201 97.990 -10.189 15.804 1.00 1.00 ATOM 230 CA PHE 202 100.072 -7.107 16.683 1.00 1.00 ATOM 231 CA GLU 203 103.705 -8.032 15.830 1.00 1.00 ATOM 232 CA GLU 204 105.058 -5.653 18.443 1.00 1.00 ATOM 233 CA CYS 205 103.191 -7.575 21.124 1.00 1.00 ATOM 234 CA LEU 206 104.246 -10.895 19.588 1.00 1.00 ATOM 235 CA LYS 207 107.871 -9.863 19.778 1.00 1.00 ATOM 236 CA ILE 208 107.658 -9.249 23.535 1.00 1.00 ATOM 237 CA LEU 209 105.784 -12.519 24.034 1.00 1.00 ATOM 238 CA ASP 210 108.488 -14.375 22.130 1.00 1.00 ATOM 239 CA ALA 211 111.175 -12.914 24.377 1.00 1.00 ATOM 240 CA VAL 212 109.467 -14.780 27.221 1.00 1.00 ATOM 241 CA ASP 213 108.359 -17.901 25.304 1.00 1.00 ATOM 242 CA PHE 214 104.769 -16.894 25.999 1.00 1.00 ATOM 243 CA PRO 215 101.885 -16.065 23.679 1.00 1.00 ATOM 244 CA PRO 216 100.468 -12.630 22.929 1.00 1.00 ATOM 245 CA GLU 217 97.346 -13.433 24.925 1.00 1.00 ATOM 246 CA ARG 218 99.520 -14.276 27.936 1.00 1.00 ATOM 247 CA ILE 219 101.355 -10.938 27.586 1.00 1.00 ATOM 248 CA LEU 220 98.033 -9.098 27.252 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:41:39 2002 Date: Tue, 30 Jul 2002 02:41:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:14:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_269768_16749 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS189_2 Current information on models submitted in prediction T0147TS189 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 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 T0147 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1GOX # Loading PARENT structure: 1gox (chain: ) # Number of residues in PARENT structure: 350 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue D 39 # IMPORTANT NOTE! Not complete main chain atoms for residue H 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue W 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue I 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue G 87 # IMPORTANT NOTE! Not complete main chain atoms for residue K 88 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue E 138 # IMPORTANT NOTE! Not complete main chain atoms for residue I 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue E 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue C 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue K 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue R 218 # IMPORTANT NOTE! Not complete main chain atoms for residue I 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue N 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue S 223 # IMPORTANT NOTE! Not complete main chain atoms for residue P 224 # IMPORTANT NOTE! Not complete main chain atoms for residue R 225 # IMPORTANT NOTE! Not complete main chain atoms for residue R 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue L 228 # IMPORTANT NOTE! Not complete main chain atoms for residue N 229 # IMPORTANT NOTE! Not complete main chain atoms for residue F 230 # IMPORTANT NOTE! Not complete main chain atoms for residue L 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue R 234 # IMPORTANT NOTE! Not complete main chain atoms for residue G 235 # IMPORTANT NOTE! Not complete main chain atoms for residue M 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue P 238 # IMPORTANT NOTE! Not complete main chain atoms for residue I 239 # IMPORTANT NOTE! Not complete main chain atoms for residue A 240 # IMPORTANT NOTE! Not complete main chain atoms for residue E 241 # IMPORTANT NOTE! Not complete main chain atoms for residue F 242 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 174 # Total number of atoms in model: 174 # Number of atoms with 1.0 occupancy: 174 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 174 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1GOX ATOM 137 CA LEU 20 36.162 45.686 27.070 1.00 1.00 ATOM 138 CA SER 21 35.008 42.308 28.510 1.00 1.00 ATOM 139 CA ASP 22 34.919 40.513 25.147 1.00 1.00 ATOM 140 CA TYR 23 38.463 41.668 24.289 1.00 1.00 ATOM 141 CA ILE 24 39.701 40.494 27.710 1.00 1.00 ATOM 142 CA ALA 25 37.953 37.108 27.332 1.00 1.00 ATOM 143 CA GLN 26 39.272 36.683 23.820 1.00 1.00 ATOM 144 CA ALA 27 42.771 37.631 25.065 1.00 1.00 ATOM 145 CA LYS 28 42.608 35.077 27.944 1.00 1.00 ATOM 146 CA GLN 29 41.407 32.400 25.525 1.00 1.00 ATOM 147 CA LYS 30 44.172 33.028 23.019 1.00 1.00 ATOM 148 CA GLY 31 46.657 32.573 25.886 1.00 1.00 ATOM 149 CA ILE 32 47.779 36.137 26.685 1.00 1.00 ATOM 150 CA LYS 33 49.411 36.409 30.133 1.00 1.00 ATOM 151 CA LEU 34 48.788 39.986 31.201 1.00 1.00 ATOM 152 CA PHE 35 46.955 43.129 30.230 1.00 1.00 ATOM 153 CA ALA 36 48.892 46.339 29.562 1.00 1.00 ATOM 154 CA ILE 37 46.338 49.102 30.312 1.00 1.00 ATOM 155 CA THR 38 47.139 52.458 28.697 1.00 1.00 ATOM 156 CA ASP 39 46.296 55.140 31.289 1.00 1.00 ATOM 157 CA HIS 40 47.687 58.228 29.537 1.00 1.00 ATOM 158 CA GLY 41 45.091 58.712 26.873 1.00 1.00 ATOM 159 CA PRO 42 41.746 60.147 28.053 1.00 1.00 ATOM 160 CA ASP 43 41.986 61.955 24.679 1.00 1.00 ATOM 161 CA MET 44 44.398 61.638 21.716 1.00 1.00 ATOM 162 CA GLU 45 47.381 64.005 21.437 1.00 1.00 ATOM 163 CA ASP 46 47.772 66.183 18.342 1.00 1.00 ATOM 164 CA ALA 47 50.242 64.707 15.852 1.00 1.00 ATOM 165 CA PRO 48 50.122 67.357 13.152 1.00 1.00 ATOM 166 CA HIS 49 51.581 65.335 10.239 1.00 1.00 ATOM 167 CA ILE 58 48.505 63.029 10.322 1.00 1.00 ATOM 168 CA TRP 59 46.259 66.056 9.950 1.00 1.00 ATOM 169 CA PRO 60 48.345 67.421 7.018 1.00 1.00 ATOM 170 CA ARG 61 48.591 63.921 5.481 1.00 1.00 ATOM 171 CA GLY 65 44.857 63.315 5.970 1.00 1.00 ATOM 172 CA VAL 66 45.734 59.946 7.487 1.00 1.00 ATOM 173 CA GLY 67 43.532 56.909 6.898 1.00 1.00 ATOM 174 CA GLY 81 43.931 53.129 7.317 1.00 1.00 ATOM 175 CA GLU 82 44.624 51.527 3.884 1.00 1.00 ATOM 176 CA ILE 83 41.898 49.547 2.115 1.00 1.00 ATOM 177 CA ASP 84 42.390 45.825 2.835 1.00 1.00 ATOM 178 CA CYS 85 43.208 46.274 6.526 1.00 1.00 ATOM 179 CA SER 86 41.053 46.067 9.612 1.00 1.00 ATOM 180 CA GLY 87 41.328 46.375 13.414 1.00 1.00 ATOM 181 CA LYS 88 40.768 42.582 13.749 1.00 1.00 ATOM 182 CA MET 89 40.208 42.464 17.519 1.00 1.00 ATOM 183 CA PHE 90 37.033 44.534 16.923 1.00 1.00 ATOM 184 CA ASP 91 35.615 42.076 14.409 1.00 1.00 ATOM 185 CA SER 92 33.684 38.987 15.515 1.00 1.00 ATOM 186 CA LEU 93 32.534 40.591 18.773 1.00 1.00 ATOM 187 CA ASP 94 29.416 42.413 19.907 1.00 1.00 ATOM 198 CA PHE 105 34.216 52.159 9.798 1.00 1.00 ATOM 199 CA ALA 106 36.192 50.492 12.650 1.00 1.00 ATOM 200 CA PRO 107 38.874 53.127 12.906 1.00 1.00 ATOM 201 CA HIS 108 36.337 55.827 13.570 1.00 1.00 ATOM 202 CA ASP 109 34.384 53.590 15.961 1.00 1.00 ATOM 231 CA LYS 110 51.842 55.721 31.100 1.00 1.00 ATOM 232 CA ALA 111 52.863 56.598 34.691 1.00 1.00 ATOM 233 CA THR 112 55.551 59.324 35.008 1.00 1.00 ATOM 234 CA ASN 113 55.100 61.062 38.403 1.00 1.00 ATOM 235 CA THR 114 55.764 59.602 41.902 1.00 1.00 ATOM 236 CA GLN 115 52.166 60.500 42.919 1.00 1.00 ATOM 237 CA ALA 116 50.514 58.248 40.324 1.00 1.00 ATOM 238 CA MET 117 53.039 55.416 40.887 1.00 1.00 ATOM 239 CA ILE 118 51.944 55.183 44.570 1.00 1.00 ATOM 240 CA ALA 119 48.258 55.204 43.555 1.00 1.00 ATOM 241 CA THR 120 48.999 52.453 41.074 1.00 1.00 ATOM 242 CA ILE 121 50.584 50.398 43.918 1.00 1.00 ATOM 243 CA ALA 122 47.424 51.043 45.979 1.00 1.00 ATOM 244 CA SER 123 44.864 50.030 43.303 1.00 1.00 ATOM 245 CA GLY 124 46.757 46.758 42.861 1.00 1.00 ATOM 246 CA ASN 125 48.568 47.058 39.540 1.00 1.00 ATOM 247 CA VAL 126 50.981 44.194 38.837 1.00 1.00 ATOM 248 CA HIS 127 53.734 46.598 37.608 1.00 1.00 ATOM 249 CA ILE 128 54.075 50.071 36.144 1.00 1.00 ATOM 250 CA ILE 129 55.332 51.035 32.729 1.00 1.00 ATOM 251 CA SER 130 57.058 54.412 32.884 1.00 1.00 ATOM 252 CA HIS 131 56.028 55.652 29.448 1.00 1.00 ATOM 253 CA PRO 132 55.084 58.890 27.698 1.00 1.00 ATOM 254 CA GLY 133 53.446 56.840 24.934 1.00 1.00 ATOM 255 CA ASN 134 56.433 57.230 22.586 1.00 1.00 ATOM 256 CA PRO 135 55.964 61.023 23.024 1.00 1.00 ATOM 257 CA LYS 136 52.705 61.133 21.064 1.00 1.00 ATOM 258 CA TYR 137 50.342 62.405 23.808 1.00 1.00 ATOM 259 CA GLU 138 51.304 65.597 25.689 1.00 1.00 ATOM 260 CA ILE 139 54.534 67.387 24.660 1.00 1.00 ATOM 261 CA ASP 140 56.937 68.603 27.268 1.00 1.00 ATOM 262 CA VAL 141 56.548 65.667 29.641 1.00 1.00 ATOM 263 CA LYS 142 60.030 64.513 30.691 1.00 1.00 ATOM 264 CA ALA 143 62.025 61.826 28.860 1.00 1.00 ATOM 265 CA VAL 144 61.048 58.504 30.453 1.00 1.00 ATOM 266 CA ALA 145 64.681 57.861 31.404 1.00 1.00 ATOM 267 CA GLU 146 64.576 61.121 33.466 1.00 1.00 ATOM 268 CA ALA 147 61.278 60.270 35.189 1.00 1.00 ATOM 269 CA ALA 148 62.273 56.663 35.806 1.00 1.00 ATOM 270 CA ALA 149 64.046 56.991 39.152 1.00 1.00 ATOM 271 CA LYS 150 61.285 59.048 40.855 1.00 1.00 ATOM 272 CA HIS 151 58.786 56.333 39.881 1.00 1.00 ATOM 273 CA GLN 152 61.134 53.489 40.874 1.00 1.00 ATOM 274 CA VAL 153 61.519 55.109 44.326 1.00 1.00 ATOM 275 CA ALA 154 57.783 55.666 44.844 1.00 1.00 ATOM 276 CA LEU 155 57.050 51.999 44.049 1.00 1.00 ATOM 277 CA GLU 156 59.276 51.001 47.016 1.00 1.00 ATOM 278 CA ILE 157 60.247 47.653 45.500 1.00 1.00 ATOM 279 CA ASN 158 56.619 46.417 45.826 1.00 1.00 ATOM 280 CA ASN 159 56.079 45.786 42.079 1.00 1.00 ATOM 281 CA SER 160 58.191 45.754 38.897 1.00 1.00 ATOM 282 CA SER 161 58.777 49.054 37.102 1.00 1.00 ATOM 283 CA PHE 162 59.510 48.978 33.353 1.00 1.00 ATOM 284 CA LEU 163 60.328 51.626 30.798 1.00 1.00 ATOM 285 CA HIS 164 59.930 52.456 27.151 1.00 1.00 ATOM 286 CA SER 165 60.625 55.503 25.030 1.00 1.00 ATOM 287 CA ARG 166 63.711 56.091 22.915 1.00 1.00 ATOM 288 CA LYS 167 65.510 52.784 23.692 1.00 1.00 ATOM 289 CA ASP 171 67.767 52.096 20.703 1.00 1.00 ATOM 290 CA ASN 172 71.092 50.823 22.073 1.00 1.00 ATOM 291 CA CYS 173 72.341 48.087 24.402 1.00 1.00 ATOM 292 CA ARG 174 73.840 51.045 26.343 1.00 1.00 ATOM 293 CA GLU 175 70.356 52.587 26.717 1.00 1.00 ATOM 294 CA VAL 176 69.067 49.299 28.126 1.00 1.00 ATOM 295 CA ALA 177 71.908 49.202 30.732 1.00 1.00 ATOM 296 CA ALA 179 71.265 52.724 31.974 1.00 1.00 ATOM 297 CA VAL 180 67.532 51.958 32.477 1.00 1.00 ATOM 298 CA ARG 181 68.272 48.820 34.591 1.00 1.00 ATOM 299 CA ASP 182 71.012 50.634 36.567 1.00 1.00 ATOM 300 CA ALA 183 68.301 53.242 37.346 1.00 1.00 ATOM 301 CA GLY 184 65.910 50.490 38.500 1.00 1.00 ATOM 302 CA GLY 185 63.863 49.277 35.546 1.00 1.00 ATOM 304 CA TRP 186 63.168 45.624 31.801 1.00 1.00 ATOM 305 CA VAL 187 62.448 47.888 28.836 1.00 1.00 ATOM 306 CA ALA 188 60.193 47.913 25.818 1.00 1.00 ATOM 307 CA LEU 189 60.885 48.965 22.249 1.00 1.00 ATOM 308 CA GLY 190 58.266 50.357 19.874 1.00 1.00 ATOM 309 CA PHE 202 59.256 52.168 16.658 1.00 1.00 ATOM 310 CA GLU 203 62.376 50.043 15.745 1.00 1.00 ATOM 311 CA GLU 204 60.056 46.997 15.340 1.00 1.00 ATOM 312 CA CYS 205 57.763 48.723 12.809 1.00 1.00 ATOM 313 CA LEU 206 60.753 50.264 11.038 1.00 1.00 ATOM 314 CA LYS 207 62.652 46.980 10.679 1.00 1.00 ATOM 315 CA ILE 208 59.394 45.191 9.698 1.00 1.00 ATOM 316 CA LEU 209 58.928 47.648 6.841 1.00 1.00 ATOM 317 CA ASP 210 62.557 47.223 5.789 1.00 1.00 ATOM 318 CA ALA 211 63.098 43.495 6.209 1.00 1.00 ATOM 319 CA VAL 212 59.903 41.663 7.236 1.00 1.00 ATOM 320 CA ASP 213 60.390 39.117 10.014 1.00 1.00 ATOM 321 CA PHE 214 64.181 39.041 9.396 1.00 1.00 ATOM 322 CA PRO 215 64.237 42.767 10.217 1.00 1.00 ATOM 323 CA PRO 216 62.608 42.313 13.694 1.00 1.00 ATOM 324 CA GLU 217 64.807 39.274 14.313 1.00 1.00 ATOM 325 CA ARG 218 67.832 41.522 13.526 1.00 1.00 ATOM 326 CA ILE 219 66.651 44.394 15.857 1.00 1.00 ATOM 327 CA LEU 220 66.344 41.962 18.735 1.00 1.00 ATOM 328 CA ASN 221 69.719 40.248 17.973 1.00 1.00 ATOM 329 CA VAL 222 71.511 43.634 17.711 1.00 1.00 ATOM 330 CA SER 223 70.143 44.843 21.088 1.00 1.00 ATOM 331 CA PRO 224 70.953 41.669 23.012 1.00 1.00 ATOM 332 CA ARG 225 74.491 41.601 21.429 1.00 1.00 ATOM 333 CA ARG 226 75.075 45.254 22.254 1.00 1.00 ATOM 334 CA LEU 227 73.600 44.766 25.757 1.00 1.00 ATOM 335 CA LEU 228 75.809 41.733 26.494 1.00 1.00 ATOM 336 CA ASN 229 78.971 43.655 25.414 1.00 1.00 ATOM 337 CA PHE 230 77.931 46.624 27.648 1.00 1.00 ATOM 338 CA LEU 231 77.527 44.220 30.585 1.00 1.00 ATOM 339 CA GLU 232 80.993 42.724 29.789 1.00 1.00 ATOM 340 CA SER 233 82.666 46.114 29.541 1.00 1.00 ATOM 341 CA ARG 234 80.946 47.424 32.739 1.00 1.00 ATOM 342 CA GLY 235 81.940 44.267 34.697 1.00 1.00 ATOM 343 CA MET 236 78.456 42.736 35.174 1.00 1.00 ATOM 344 CA ALA 237 77.807 39.009 35.054 1.00 1.00 ATOM 345 CA PRO 238 74.069 39.119 35.773 1.00 1.00 ATOM 346 CA ILE 239 71.249 41.735 35.799 1.00 1.00 ATOM 347 CA ALA 240 71.509 41.495 39.605 1.00 1.00 ATOM 348 CA GLU 241 75.080 42.725 39.356 1.00 1.00 ATOM 349 CA PHE 242 74.027 45.936 37.502 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:43:08 2002 Date: Tue, 30 Jul 2002 02:43:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:15:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_279164_16753 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS189_3 Current information on models submitted in prediction T0147TS189 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_3 PIN_279164_16753 5035-2079-5263 07/30/02 02:15:18 casp5@bialko.llnl.gov T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 casp5@bialko.llnl.gov T0147TS189_3 PIN_279164_16753 5035-2079-5263 07/30/02 02:15:18 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 T0147 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 2MNR # Loading PARENT structure: 2mnr (chain: ) # Number of residues in PARENT structure: 357 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 H 15 # IMPORTANT NOTE! Not complete main chain atoms for residue A 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue D 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue A 25 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 31 # IMPORTANT NOTE! Not complete main chain atoms for residue I 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue I 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 43 # IMPORTANT NOTE! Not complete main chain atoms for residue M 44 # IMPORTANT NOTE! Not complete main chain atoms for residue E 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue W 51 # IMPORTANT NOTE! Not complete main chain atoms for residue H 52 # IMPORTANT NOTE! Not complete main chain atoms for residue F 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue N 55 # IMPORTANT NOTE! Not complete main chain atoms for residue M 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue W 59 # IMPORTANT NOTE! Not complete main chain atoms for residue P 60 # IMPORTANT NOTE! Not complete main chain atoms for residue R 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue G 67 # IMPORTANT NOTE! Not complete main chain atoms for residue I 68 # IMPORTANT NOTE! Not complete main chain atoms for residue L 69 # IMPORTANT NOTE! Not complete main chain atoms for residue R 70 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue S 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue H 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue M 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue E 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue C 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue K 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 150 # Total number of atoms in model: 150 # Number of atoms with 1.0 occupancy: 150 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 150 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 2MNR ATOM 143 CA THR 14 32.297 0.350 30.207 1.00 1.00 ATOM 144 CA HIS 15 30.585 -1.723 32.841 1.00 1.00 ATOM 145 CA ALA 16 28.643 -0.250 35.763 1.00 1.00 ATOM 146 CA SER 18 31.507 1.325 37.732 1.00 1.00 ATOM 147 CA THR 19 33.467 3.021 34.895 1.00 1.00 ATOM 148 CA LEU 20 30.241 4.065 33.057 1.00 1.00 ATOM 149 CA SER 21 29.000 5.814 36.227 1.00 1.00 ATOM 150 CA ASP 22 32.424 7.444 36.877 1.00 1.00 ATOM 151 CA TYR 23 32.712 8.773 33.311 1.00 1.00 ATOM 152 CA ILE 24 29.120 10.116 33.471 1.00 1.00 ATOM 153 CA ALA 25 29.808 11.997 36.774 1.00 1.00 ATOM 154 CA GLN 26 32.934 13.495 35.174 1.00 1.00 ATOM 155 CA ALA 27 31.009 14.580 32.029 1.00 1.00 ATOM 156 CA LYS 28 28.353 16.249 34.219 1.00 1.00 ATOM 157 CA GLN 29 31.211 18.055 36.143 1.00 1.00 ATOM 158 CA LYS 30 32.566 19.347 32.844 1.00 1.00 ATOM 159 CA GLY 31 29.139 20.860 32.053 1.00 1.00 ATOM 160 CA ILE 32 27.763 18.226 29.577 1.00 1.00 ATOM 161 CA LYS 33 23.978 17.604 30.052 1.00 1.00 ATOM 162 CA LEU 34 23.901 14.146 28.359 1.00 1.00 ATOM 163 CA PHE 35 26.139 11.057 27.894 1.00 1.00 ATOM 164 CA ALA 36 25.913 8.117 25.465 1.00 1.00 ATOM 165 CA ILE 37 26.821 4.687 26.865 1.00 1.00 ATOM 166 CA ASP 43 27.172 1.440 24.871 1.00 1.00 ATOM 167 CA MET 44 25.165 -1.598 25.965 1.00 1.00 ATOM 168 CA GLU 45 24.380 -5.093 24.621 1.00 1.00 ATOM 169 CA ASP 46 25.676 -7.100 27.544 1.00 1.00 ATOM 170 CA ALA 47 24.903 -10.914 27.648 1.00 1.00 ATOM 171 CA PRO 48 21.892 -10.263 29.796 1.00 1.00 ATOM 172 CA HIS 49 19.288 -7.488 29.715 1.00 1.00 ATOM 173 CA HIS 50 19.755 -7.127 33.457 1.00 1.00 ATOM 174 CA TRP 51 23.335 -5.927 32.916 1.00 1.00 ATOM 175 CA HIS 52 22.136 -3.285 30.394 1.00 1.00 ATOM 176 CA PHE 53 19.638 -1.988 32.906 1.00 1.00 ATOM 177 CA ILE 54 22.130 -2.053 35.769 1.00 1.00 ATOM 178 CA ASN 55 24.432 0.304 33.797 1.00 1.00 ATOM 179 CA MET 56 21.619 2.697 32.891 1.00 1.00 ATOM 180 CA ARG 57 20.180 2.753 36.458 1.00 1.00 ATOM 181 CA ILE 58 23.539 3.422 38.087 1.00 1.00 ATOM 182 CA TRP 59 24.197 6.321 35.703 1.00 1.00 ATOM 183 CA PRO 60 20.698 7.755 36.385 1.00 1.00 ATOM 184 CA ARG 61 21.269 7.527 40.138 1.00 1.00 ATOM 186 CA VAL 62 23.507 12.132 37.505 1.00 1.00 ATOM 187 CA VAL 63 19.830 12.666 38.419 1.00 1.00 ATOM 188 CA ASP 64 16.615 12.564 36.462 1.00 1.00 ATOM 189 CA GLY 65 17.258 15.636 34.329 1.00 1.00 ATOM 190 CA VAL 66 20.347 14.295 32.505 1.00 1.00 ATOM 191 CA GLY 67 20.129 12.754 28.998 1.00 1.00 ATOM 192 CA ILE 68 21.273 9.097 28.767 1.00 1.00 ATOM 193 CA LEU 69 21.544 7.876 25.207 1.00 1.00 ATOM 194 CA ARG 70 22.268 4.131 24.699 1.00 1.00 ATOM 195 CA HIS 101 23.907 2.453 21.715 1.00 1.00 ATOM 196 CA GLU 102 23.495 -1.243 20.939 1.00 1.00 ATOM 197 CA PRO 103 25.979 -1.173 18.002 1.00 1.00 ATOM 198 CA VAL 104 23.942 -3.530 15.812 1.00 1.00 ATOM 199 CA PRO 107 24.244 -6.349 18.271 1.00 1.00 ATOM 200 CA HIS 108 20.629 -7.587 18.640 1.00 1.00 ATOM 201 CA ASP 109 18.228 -9.358 16.348 1.00 1.00 ATOM 202 CA LYS 110 14.744 -7.775 15.947 1.00 1.00 ATOM 203 CA ALA 111 12.811 -9.834 18.638 1.00 1.00 ATOM 204 CA THR 112 15.598 -9.302 21.161 1.00 1.00 ATOM 205 CA ASN 113 15.759 -5.574 20.316 1.00 1.00 ATOM 206 CA THR 114 11.984 -5.116 20.821 1.00 1.00 ATOM 207 CA GLN 115 12.204 -6.866 24.222 1.00 1.00 ATOM 208 CA ALA 116 15.289 -4.992 25.472 1.00 1.00 ATOM 209 CA ILE 118 14.212 -1.605 24.109 1.00 1.00 ATOM 210 CA ALA 119 10.791 -1.765 25.807 1.00 1.00 ATOM 211 CA THR 120 12.555 -2.505 29.138 1.00 1.00 ATOM 212 CA ILE 121 14.990 0.479 28.574 1.00 1.00 ATOM 213 CA ALA 122 12.116 2.722 27.543 1.00 1.00 ATOM 214 CA SER 123 10.578 2.176 30.932 1.00 1.00 ATOM 215 CA GLY 124 13.928 3.424 32.390 1.00 1.00 ATOM 216 CA ASN 125 13.681 6.700 30.460 1.00 1.00 ATOM 217 CA VAL 126 16.580 6.812 27.984 1.00 1.00 ATOM 218 CA HIS 127 16.867 9.567 25.375 1.00 1.00 ATOM 219 CA ILE 128 17.241 7.305 22.312 1.00 1.00 ATOM 220 CA ILE 129 18.120 3.752 21.332 1.00 1.00 ATOM 221 CA SER 130 20.828 3.631 18.679 1.00 1.00 ATOM 222 CA HIS 131 21.345 0.931 15.989 1.00 1.00 ATOM 223 CA PRO 132 19.561 -1.905 17.852 1.00 1.00 ATOM 224 CA GLY 133 20.126 -4.332 14.867 1.00 1.00 ATOM 225 CA ASN 134 22.157 -4.722 11.645 1.00 1.00 ATOM 226 CA PRO 135 22.603 -1.267 10.139 1.00 1.00 ATOM 227 CA LYS 136 21.665 -2.175 6.544 1.00 1.00 ATOM 228 CA GLU 146 18.328 -3.683 7.797 1.00 1.00 ATOM 229 CA ALA 147 16.108 -0.651 7.468 1.00 1.00 ATOM 230 CA ALA 148 12.933 -2.797 7.460 1.00 1.00 ATOM 231 CA ALA 149 13.995 -4.431 10.739 1.00 1.00 ATOM 232 CA LYS 150 14.649 -0.987 12.332 1.00 1.00 ATOM 233 CA HIS 151 11.147 0.125 11.190 1.00 1.00 ATOM 234 CA GLN 152 9.752 -3.030 12.881 1.00 1.00 ATOM 235 CA VAL 153 11.570 -2.249 16.177 1.00 1.00 ATOM 236 CA ALA 154 10.601 1.511 16.006 1.00 1.00 ATOM 237 CA LEU 155 6.910 0.590 15.452 1.00 1.00 ATOM 238 CA GLU 156 6.898 -1.042 18.938 1.00 1.00 ATOM 239 CA ILE 157 8.493 1.918 20.759 1.00 1.00 ATOM 240 CA ASN 158 7.591 5.367 22.082 1.00 1.00 ATOM 241 CA ASN 159 11.305 6.165 22.564 1.00 1.00 ATOM 242 CA SER 160 13.069 7.143 19.288 1.00 1.00 ATOM 243 CA SER 161 15.299 4.717 17.408 1.00 1.00 ATOM 244 CA PHE 162 18.471 6.516 16.267 1.00 1.00 ATOM 245 CA LEU 163 20.731 5.496 13.369 1.00 1.00 ATOM 246 CA LYS 167 22.686 6.896 10.443 1.00 1.00 ATOM 247 CA GLY 168 26.409 6.613 11.308 1.00 1.00 ATOM 248 CA SER 169 26.728 3.856 8.719 1.00 1.00 ATOM 249 CA GLU 170 24.825 5.411 5.770 1.00 1.00 ATOM 250 CA ASP 171 27.210 5.689 2.841 1.00 1.00 ATOM 251 CA ASN 172 25.974 8.684 0.990 1.00 1.00 ATOM 252 CA CYS 173 22.561 10.585 1.135 1.00 1.00 ATOM 253 CA ARG 174 21.111 7.903 -1.146 1.00 1.00 ATOM 254 CA GLU 175 21.320 5.285 1.700 1.00 1.00 ATOM 255 CA VAL 176 19.778 7.798 4.125 1.00 1.00 ATOM 256 CA ALA 177 16.957 8.390 1.561 1.00 1.00 ATOM 257 CA ALA 179 16.143 4.627 1.505 1.00 1.00 ATOM 258 CA VAL 180 16.032 4.301 5.310 1.00 1.00 ATOM 259 CA ARG 181 13.885 7.424 5.806 1.00 1.00 ATOM 260 CA ASP 182 11.539 6.434 2.923 1.00 1.00 ATOM 261 CA ALA 183 10.458 3.335 4.844 1.00 1.00 ATOM 262 CA GLY 184 10.457 4.984 8.261 1.00 1.00 ATOM 263 CA GLY 185 13.365 3.130 9.809 1.00 1.00 ATOM 264 CA TRP 186 14.050 5.678 12.605 1.00 1.00 ATOM 265 CA VAL 187 12.669 8.836 14.262 1.00 1.00 ATOM 266 CA ALA 188 16.191 10.446 14.607 1.00 1.00 ATOM 267 CA LEU 189 19.179 10.539 12.306 1.00 1.00 ATOM 268 CA GLY 190 22.928 11.006 12.952 1.00 1.00 ATOM 269 CA SER 191 24.910 11.041 9.668 1.00 1.00 ATOM 270 CA ASP 192 28.708 10.691 9.778 1.00 1.00 ATOM 271 CA SER 193 30.405 13.591 7.899 1.00 1.00 ATOM 272 CA HIS 194 32.811 11.137 6.238 1.00 1.00 ATOM 273 CA THR 195 30.347 8.339 5.263 1.00 1.00 ATOM 274 CA ALA 196 27.593 10.711 4.181 1.00 1.00 ATOM 275 CA PHE 197 29.915 12.315 1.537 1.00 1.00 ATOM 276 CA THR 198 31.623 15.221 3.362 1.00 1.00 ATOM 277 CA MET 199 30.157 18.785 3.363 1.00 1.00 ATOM 278 CA GLY 200 28.583 18.273 -0.063 1.00 1.00 ATOM 279 CA GLU 201 26.777 15.069 1.148 1.00 1.00 ATOM 280 CA PHE 202 25.842 16.731 4.490 1.00 1.00 ATOM 281 CA GLU 203 24.056 19.608 2.759 1.00 1.00 ATOM 282 CA GLU 204 22.020 17.040 0.794 1.00 1.00 ATOM 283 CA CYS 205 21.375 14.883 3.924 1.00 1.00 ATOM 284 CA LEU 206 20.198 18.060 5.831 1.00 1.00 ATOM 285 CA LYS 207 17.635 18.875 3.114 1.00 1.00 ATOM 286 CA ILE 208 16.220 15.294 3.342 1.00 1.00 ATOM 287 CA LEU 209 16.062 15.288 7.161 1.00 1.00 ATOM 288 CA ASP 210 14.134 18.600 7.033 1.00 1.00 ATOM 289 CA ALA 211 11.456 17.278 4.676 1.00 1.00 ATOM 290 CA VAL 212 11.047 13.892 6.462 1.00 1.00 ATOM 291 CA ASP 213 10.790 15.744 9.787 1.00 1.00 ATOM 292 CA PHE 214 13.856 14.063 11.346 1.00 1.00 ATOM 293 CA PRO 215 15.990 15.813 14.074 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 02:43:34 2002 Date: Tue, 30 Jul 2002 02:43:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0147 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 Tue Jul 30 02:15:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_280558_16755 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0147TS189_4 Current information on models submitted in prediction T0147TS189 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_4 PIN_280558_16755 5035-2079-5263 07/30/02 02:15:52 casp5@bialko.llnl.gov T0147TS189_3 PIN_279164_16753 5035-2079-5263 07/30/02 02:15:18 casp5@bialko.llnl.gov T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 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 T0147 MODEL_INDEX PIN CODE DATE E-mail T0147TS189_2 PIN_269768_16749 5035-2079-5263 07/30/02 02:14:08 casp5@bialko.llnl.gov T0147TS189_3 PIN_279164_16753 5035-2079-5263 07/30/02 02:15:18 casp5@bialko.llnl.gov T0147TS189_4 PIN_280558_16755 5035-2079-5263 07/30/02 02:15:52 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 TS PFRMAT TS TARGET T0147 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1K6W_A # Loading PARENT structure: 1k6w (chain: A) # Number of residues in PARENT structure: 423 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 89 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue D 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue A 98 # IMPORTANT NOTE! Not complete main chain atoms for residue G 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue H 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue P 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue F 105 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue D 109 # IMPORTANT NOTE! Not complete main chain atoms for residue K 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue M 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue A 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue I 121 # IMPORTANT NOTE! Not complete main chain atoms for residue A 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue G 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue I 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue N 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue K 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue H 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue A 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 158 # IMPORTANT NOTE! Not complete main chain atoms for residue N 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue S 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue H 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue G 168 # IMPORTANT NOTE! Not complete main chain atoms for residue S 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue N 172 # IMPORTANT NOTE! Not complete main chain atoms for residue C 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue A 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue D 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue W 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue G 190 # IMPORTANT NOTE! Not complete main chain atoms for residue S 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue S 193 # IMPORTANT NOTE! Not complete main chain atoms for residue H 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue F 197 # IMPORTANT NOTE! Not complete main chain atoms for residue T 198 # IMPORTANT NOTE! Not complete main chain atoms for residue M 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue E 201 # IMPORTANT NOTE! Not complete main chain atoms for residue F 202 # IMPORTANT NOTE! Not complete main chain atoms for residue E 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue C 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue K 207 # IMPORTANT NOTE! Not complete main chain atoms for residue I 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue D 210 # IMPORTANT NOTE! Not complete main chain atoms for residue A 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue D 213 # IMPORTANT NOTE! Not complete main chain atoms for residue F 214 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0147 # Total number of residues in target: 245 # Total number of residues in model: 120 # Total number of atoms in model: 120 # Number of atoms with 1.0 occupancy: 120 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 120 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0147 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1K6W_A ATOM 143 CA MET 89 19.521 39.513 94.629 1.00 1.00 ATOM 144 CA PHE 90 22.218 37.703 92.608 1.00 1.00 ATOM 145 CA ASP 91 25.084 39.910 93.835 1.00 1.00 ATOM 146 CA SER 92 24.433 38.672 97.396 1.00 1.00 ATOM 147 CA LEU 93 22.545 35.369 97.149 1.00 1.00 ATOM 148 CA ASP 94 22.412 32.646 94.502 1.00 1.00 ATOM 149 CA LEU 95 18.678 31.866 94.554 1.00 1.00 ATOM 150 CA ILE 96 17.289 28.593 93.174 1.00 1.00 ATOM 151 CA ILE 97 13.579 28.470 92.389 1.00 1.00 ATOM 152 CA ALA 98 11.595 25.253 92.725 1.00 1.00 ATOM 153 CA GLY 99 8.389 25.042 90.665 1.00 1.00 ATOM 154 CA PHE 100 6.220 23.646 93.480 1.00 1.00 ATOM 155 CA HIS 101 2.813 22.251 92.374 1.00 1.00 ATOM 156 CA GLU 102 1.252 22.810 95.801 1.00 1.00 ATOM 157 CA PRO 103 -2.186 21.467 94.847 1.00 1.00 ATOM 158 CA VAL 104 -0.790 18.439 93.068 1.00 1.00 ATOM 159 CA PHE 105 0.286 17.650 89.526 1.00 1.00 ATOM 160 CA HIS 108 -2.480 15.227 88.603 1.00 1.00 ATOM 161 CA ASP 109 -5.014 16.434 91.187 1.00 1.00 ATOM 162 CA LYS 110 -5.165 20.058 90.058 1.00 1.00 ATOM 163 CA ALA 111 -6.502 21.458 86.749 1.00 1.00 ATOM 164 CA THR 112 -3.659 21.746 84.246 1.00 1.00 ATOM 165 CA ASN 113 -1.266 20.925 87.045 1.00 1.00 ATOM 166 CA THR 114 1.244 19.224 84.765 1.00 1.00 ATOM 167 CA GLN 115 0.992 21.934 82.101 1.00 1.00 ATOM 168 CA ALA 116 1.601 24.649 84.700 1.00 1.00 ATOM 169 CA MET 117 4.569 22.770 86.160 1.00 1.00 ATOM 170 CA ILE 118 6.162 22.562 82.725 1.00 1.00 ATOM 171 CA ALA 119 5.327 26.213 81.984 1.00 1.00 ATOM 172 CA THR 120 7.182 27.156 85.186 1.00 1.00 ATOM 173 CA ILE 121 10.246 25.274 83.915 1.00 1.00 ATOM 174 CA ALA 122 9.994 26.949 80.500 1.00 1.00 ATOM 175 CA SER 123 10.008 30.282 82.332 1.00 1.00 ATOM 178 CA GLY 124 15.675 25.690 88.431 1.00 1.00 ATOM 179 CA ASN 125 14.070 22.731 90.145 1.00 1.00 ATOM 180 CA VAL 126 11.058 20.517 89.505 1.00 1.00 ATOM 181 CA HIS 127 8.854 19.998 92.556 1.00 1.00 ATOM 182 CA ILE 128 6.090 17.532 93.426 1.00 1.00 ATOM 183 CA ILE 129 3.910 16.583 96.409 1.00 1.00 ATOM 184 CA SER 130 2.820 12.948 96.008 1.00 1.00 ATOM 185 CA HIS 131 1.156 12.474 99.393 1.00 1.00 ATOM 186 CA PRO 132 -1.217 15.357 98.568 1.00 1.00 ATOM 187 CA GLY 133 -2.420 13.816 95.277 1.00 1.00 ATOM 188 CA ASN 134 -5.905 12.273 95.443 1.00 1.00 ATOM 189 CA PRO 135 -4.610 8.702 95.287 1.00 1.00 ATOM 190 CA LYS 136 -1.463 6.687 95.828 1.00 1.00 ATOM 191 CA VAL 141 -1.499 5.927 92.092 1.00 1.00 ATOM 192 CA LYS 142 -1.577 9.646 91.194 1.00 1.00 ATOM 193 CA ALA 143 1.267 10.090 93.673 1.00 1.00 ATOM 194 CA VAL 144 3.480 7.517 92.000 1.00 1.00 ATOM 195 CA ALA 145 2.540 8.687 88.514 1.00 1.00 ATOM 196 CA GLU 146 3.274 12.310 89.460 1.00 1.00 ATOM 197 CA ALA 147 6.850 11.284 90.275 1.00 1.00 ATOM 198 CA ALA 148 7.343 9.666 86.888 1.00 1.00 ATOM 199 CA ALA 149 6.126 12.940 85.322 1.00 1.00 ATOM 200 CA LYS 150 8.425 14.965 87.583 1.00 1.00 ATOM 201 CA HIS 151 11.492 12.927 86.631 1.00 1.00 ATOM 202 CA GLN 152 10.571 13.101 82.941 1.00 1.00 ATOM 203 CA VAL 153 10.414 16.906 83.132 1.00 1.00 ATOM 204 CA ALA 154 13.714 17.139 85.006 1.00 1.00 ATOM 205 CA LEU 155 15.415 15.067 82.315 1.00 1.00 ATOM 206 CA GLU 156 13.714 16.939 79.462 1.00 1.00 ATOM 207 CA ILE 157 14.896 20.318 80.782 1.00 1.00 ATOM 208 CA ASN 158 18.063 19.244 82.647 1.00 1.00 ATOM 209 CA ASN 159 16.839 20.573 85.986 1.00 1.00 ATOM 210 CA SER 160 17.153 19.467 89.602 1.00 1.00 ATOM 211 CA SER 161 14.336 17.779 91.540 1.00 1.00 ATOM 212 CA PHE 162 13.086 18.566 95.046 1.00 1.00 ATOM 213 CA LEU 163 9.948 16.757 96.160 1.00 1.00 ATOM 214 CA HIS 164 7.799 17.685 99.188 1.00 1.00 ATOM 218 CA SER 165 2.515 13.447 106.734 1.00 1.00 ATOM 219 CA ARG 166 2.285 11.179 109.802 1.00 1.00 ATOM 220 CA LYS 167 1.104 8.254 107.660 1.00 1.00 ATOM 221 CA GLY 168 3.159 5.074 108.038 1.00 1.00 ATOM 222 CA SER 169 1.900 4.037 104.586 1.00 1.00 ATOM 223 CA GLU 170 3.208 7.148 102.812 1.00 1.00 ATOM 224 CA ASP 171 6.275 5.723 101.070 1.00 1.00 ATOM 225 CA ASN 172 6.725 7.913 98.017 1.00 1.00 ATOM 226 CA CYS 173 10.356 8.311 99.030 1.00 1.00 ATOM 227 CA ARG 174 11.144 4.835 97.660 1.00 1.00 ATOM 228 CA GLU 175 9.927 5.893 94.199 1.00 1.00 ATOM 229 CA VAL 176 11.922 9.127 94.351 1.00 1.00 ATOM 230 CA ALA 177 15.072 7.166 95.197 1.00 1.00 ATOM 231 CA ALA 178 14.411 4.346 92.698 1.00 1.00 ATOM 232 CA ALA 179 13.770 6.712 89.793 1.00 1.00 ATOM 233 CA VAL 180 16.900 8.698 90.663 1.00 1.00 ATOM 234 CA ARG 181 18.947 5.492 90.756 1.00 1.00 ATOM 235 CA ASP 182 17.478 4.336 87.444 1.00 1.00 ATOM 236 CA ALA 183 18.335 7.639 85.716 1.00 1.00 ATOM 237 CA GLY 184 21.732 7.841 87.432 1.00 1.00 ATOM 238 CA GLY 185 20.878 11.296 88.750 1.00 1.00 ATOM 242 CA TRP 186 17.533 14.892 93.477 1.00 1.00 ATOM 243 CA VAL 187 16.184 15.855 96.884 1.00 1.00 ATOM 244 CA ALA 188 13.400 14.450 99.044 1.00 1.00 ATOM 245 CA LEU 189 12.202 17.223 101.383 1.00 1.00 ATOM 246 CA GLY 190 10.552 16.449 104.725 1.00 1.00 ATOM 247 CA SER 191 10.027 12.669 104.612 1.00 1.00 ATOM 248 CA ASP 192 8.378 13.096 108.011 1.00 1.00 ATOM 249 CA SER 193 6.393 9.884 107.422 1.00 1.00 ATOM 250 CA HIS 194 9.708 8.071 107.891 1.00 1.00 ATOM 251 CA THR 195 9.491 8.985 111.585 1.00 1.00 ATOM 252 CA ALA 196 6.517 6.594 111.742 1.00 1.00 ATOM 253 CA PHE 197 7.762 3.644 109.659 1.00 1.00 ATOM 254 CA THR 198 8.424 0.266 111.230 1.00 1.00 ATOM 255 CA MET 199 12.123 -0.530 111.552 1.00 1.00 ATOM 256 CA GLY 200 12.229 -3.484 109.160 1.00 1.00 ATOM 257 CA GLU 201 10.940 -1.521 106.183 1.00 1.00 ATOM 258 CA PHE 202 13.174 1.421 107.066 1.00 1.00 ATOM 259 CA GLU 203 16.228 -0.855 107.104 1.00 1.00 ATOM 260 CA GLU 204 15.362 -2.269 103.675 1.00 1.00 ATOM 261 CA CYS 205 14.702 1.244 102.348 1.00 1.00 ATOM 262 CA LEU 206 18.015 2.630 103.638 1.00 1.00 ATOM 263 CA LYS 207 20.005 0.379 101.291 1.00 1.00 ATOM 264 CA ILE 208 18.231 2.021 98.349 1.00 1.00 ATOM 265 CA LEU 209 18.553 5.514 99.830 1.00 1.00 ATOM 266 CA ASP 210 22.329 5.110 100.113 1.00 1.00 ATOM 267 CA ALA 211 22.673 3.530 96.649 1.00 1.00 ATOM 268 CA VAL 212 20.529 6.229 95.001 1.00 1.00 ATOM 269 CA ASP 213 22.636 9.063 96.336 1.00 1.00 ATOM 270 CA PHE 214 19.659 11.409 96.698 1.00 1.00 TER END ################################ # # # END # # # ################################