From mailer@bialko.llnl.gov Thu Aug 15 06:46:08 2002 Date: Thu, 15 Aug 2002 06:46:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 06:17:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_305779_24578 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183SS389_1 Current information on models submitted in prediction T0183SS389 MODEL_INDEX PIN CODE DATE E-mail T0183SS389_1 PIN_305779_24578 1549-8716-6404 08/15/02 06:17:57 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183SS389_1 PIN_305779_24578 1549-8716-6404 08/15/02 06:17:57 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 T0183 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: 248 # Number of residues with nonzero confidence: 248 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0183 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0183.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0183.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0183.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 T0183.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0183 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 T0183.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 52 METHOD METHOD ============================================ METHOD Comments from T0183.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0183 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 T0183.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 52 METHOD METHOD ============================================ METHOD Comments from T0183.t2k.str.rdb METHOD ============================================ METHOD TARGET T0183 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 T0183.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 52 METHOD METHOD ============================================ MODEL 1 M C 0.95 I C 0.87 E H 0.71 Y H 0.87 R H 0.94 I H 0.95 E H 0.95 E H 0.95 A H 0.94 V H 0.93 A H 0.86 K H 0.73 Y H 0.66 R H 0.60 E H 0.54 F C 0.48 Y C 0.51 E C 0.49 F C 0.67 K C 0.81 P C 0.50 V H 0.68 R H 0.66 E H 0.66 S H 0.74 A H 0.73 G H 0.81 I H 0.91 E H 0.94 D H 0.95 V H 0.96 K H 0.95 S H 0.92 A H 0.91 I H 0.87 E H 0.82 H H 0.73 T H 0.51 N C 0.69 L C 0.83 K C 0.91 P C 0.84 F C 0.89 A C 0.92 T C 0.95 P H 0.94 D H 0.96 D H 0.97 I H 0.98 K H 0.98 K H 0.97 L H 0.97 C H 0.97 L H 0.97 E H 0.96 A H 0.95 R H 0.91 E H 0.75 N C 0.62 R C 0.95 F C 0.86 H E 0.61 G E 0.92 V E 0.96 C E 0.94 V E 0.73 N C 0.79 P C 0.59 C H 0.57 Y H 0.71 V H 0.88 K H 0.96 L H 0.97 A H 0.97 R H 0.97 E H 0.97 E H 0.95 L H 0.91 E H 0.76 G C 0.53 T C 0.83 D C 0.95 V C 0.70 K E 0.80 V E 0.95 V E 0.96 T E 0.94 V E 0.87 V E 0.51 G C 0.74 F C 0.81 P C 0.82 L C 0.87 G C 0.90 A C 0.86 N C 0.80 E H 0.48 T H 0.81 R H 0.93 T H 0.94 K H 0.96 A H 0.97 H H 0.97 E H 0.97 A H 0.97 I H 0.97 F H 0.97 A H 0.96 V H 0.93 E H 0.83 S C 0.62 G C 0.89 A C 0.91 D C 0.73 E E 0.59 I E 0.71 D E 0.79 M E 0.88 V E 0.76 I E 0.60 N C 0.64 V H 0.73 G H 0.83 M H 0.88 L H 0.87 K H 0.74 A C 0.53 K C 0.87 E C 0.74 W H 0.91 E H 0.95 Y H 0.95 V H 0.96 Y H 0.97 E H 0.97 D H 0.97 I H 0.98 R H 0.98 S H 0.97 V H 0.97 V H 0.97 E H 0.95 S H 0.91 V H 0.61 K C 0.78 G C 0.92 K C 0.75 V E 0.65 V E 0.90 K E 0.91 V E 0.93 I E 0.89 I E 0.79 E E 0.66 T C 0.43 C C 0.56 Y C 0.63 L C 0.82 D C 0.90 T H 0.89 E H 0.94 E H 0.96 K H 0.97 I H 0.98 A H 0.98 A H 0.98 C H 0.98 V H 0.98 I H 0.98 S H 0.98 K H 0.97 L H 0.94 A H 0.59 G C 0.94 A C 0.95 H C 0.81 F E 0.63 V E 0.70 K E 0.67 T C 0.55 S C 0.78 T C 0.84 G C 0.90 F C 0.85 G C 0.80 T C 0.83 G C 0.87 G C 0.91 A C 0.90 T C 0.84 A H 0.96 E H 0.97 D H 0.98 V H 0.98 H H 0.98 L H 0.98 M H 0.98 K H 0.97 W H 0.97 I H 0.93 V H 0.79 G H 0.55 D C 0.59 E C 0.72 M C 0.77 G C 0.80 V E 0.49 K E 0.60 A C 0.50 S C 0.72 G C 0.83 G C 0.80 I C 0.72 R C 0.78 T C 0.88 F H 0.94 E H 0.97 D H 0.97 A H 0.98 V H 0.98 K H 0.98 M H 0.98 I H 0.97 M H 0.96 Y H 0.91 G H 0.87 A H 0.83 D H 0.85 R H 0.80 I H 0.61 G C 0.60 T C 0.53 S H 0.55 S H 0.73 G H 0.86 V H 0.94 K H 0.95 I H 0.95 V H 0.93 Q H 0.86 G H 0.71 G H 0.68 E H 0.66 E H 0.68 R H 0.52 Y C 0.68 G C 0.91 G C 0.97 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:12:17 2002 Date: Tue, 20 Aug 2002 13:12:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Aug 20 12:44:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_584395_29086 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS189_1 Current information on models submitted in prediction T0183TS189 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1JCJ_A # Loading PARENT structure: 1jcj (chain: A) # Number of residues in PARENT structure: 251 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 208 # Total number of atoms in model: 208 # Number of atoms with 1.0 occupancy: 208 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 208 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1JCJ_A ATOM 4 CA GLU 24 42.857 -4.621 3.219 1.00 1.00 ATOM 5 CA SER 25 45.913 -3.128 5.039 1.00 1.00 ATOM 6 CA ALA 26 45.115 0.343 3.665 1.00 1.00 ATOM 7 CA GLY 27 41.474 0.101 4.735 1.00 1.00 ATOM 8 CA ILE 28 42.417 -1.308 8.101 1.00 1.00 ATOM 9 CA GLU 29 44.780 1.545 9.001 1.00 1.00 ATOM 10 CA ASP 30 42.101 4.053 7.937 1.00 1.00 ATOM 11 CA VAL 31 39.504 2.299 9.993 1.00 1.00 ATOM 12 CA LYS 32 41.767 2.261 13.054 1.00 1.00 ATOM 13 CA SER 33 42.344 6.000 12.838 1.00 1.00 ATOM 14 CA ALA 34 38.613 6.554 12.441 1.00 1.00 ATOM 15 CA ILE 35 37.551 4.355 15.330 1.00 1.00 ATOM 16 CA GLU 36 35.331 5.364 18.258 1.00 1.00 ATOM 17 CA HIS 37 36.730 2.601 20.489 1.00 1.00 ATOM 18 CA THR 38 33.813 1.645 22.726 1.00 1.00 ATOM 19 CA ASN 39 32.901 0.045 26.026 1.00 1.00 ATOM 20 CA LEU 40 29.197 0.326 26.994 1.00 1.00 ATOM 21 CA LYS 41 28.516 -2.533 29.421 1.00 1.00 ATOM 22 CA PRO 42 26.476 -2.773 32.627 1.00 1.00 ATOM 23 CA PHE 43 29.532 -4.082 34.434 1.00 1.00 ATOM 24 CA ALA 44 31.934 -1.432 33.292 1.00 1.00 ATOM 25 CA THR 45 34.326 -0.015 35.848 1.00 1.00 ATOM 26 CA PRO 46 37.087 2.557 36.020 1.00 1.00 ATOM 27 CA ASP 47 39.675 -0.201 35.541 1.00 1.00 ATOM 28 CA ASP 48 38.040 -1.369 32.286 1.00 1.00 ATOM 29 CA ILE 49 37.823 2.208 31.002 1.00 1.00 ATOM 30 CA LYS 50 41.506 2.835 31.857 1.00 1.00 ATOM 31 CA LYS 51 42.402 -0.343 29.936 1.00 1.00 ATOM 32 CA LEU 52 40.293 0.910 26.975 1.00 1.00 ATOM 33 CA CYS 53 42.209 4.172 26.977 1.00 1.00 ATOM 34 CA LEU 54 45.491 2.293 26.823 1.00 1.00 ATOM 35 CA GLU 55 44.113 0.133 23.946 1.00 1.00 ATOM 36 CA ALA 56 43.308 3.317 21.977 1.00 1.00 ATOM 37 CA ARG 57 47.003 4.183 21.836 1.00 1.00 ATOM 41 CA ASN 59 48.457 5.348 15.691 1.00 1.00 ATOM 42 CA ARG 60 45.647 6.416 17.958 1.00 1.00 ATOM 43 CA PHE 61 41.941 5.823 17.468 1.00 1.00 ATOM 44 CA HIS 62 39.890 8.934 16.804 1.00 1.00 ATOM 45 CA GLY 63 37.915 8.625 20.001 1.00 1.00 ATOM 46 CA VAL 64 36.682 6.455 22.784 1.00 1.00 ATOM 47 CA CYS 65 32.989 5.974 23.577 1.00 1.00 ATOM 48 CA VAL 66 32.060 5.304 27.210 1.00 1.00 ATOM 49 CA ASN 67 29.204 5.944 29.621 1.00 1.00 ATOM 50 CA PRO 68 29.207 9.530 30.925 1.00 1.00 ATOM 51 CA CYS 69 30.269 8.750 34.487 1.00 1.00 ATOM 52 CA TYR 70 33.606 7.439 33.207 1.00 1.00 ATOM 53 CA VAL 71 34.537 10.627 31.303 1.00 1.00 ATOM 54 CA LYS 72 36.655 12.277 34.023 1.00 1.00 ATOM 55 CA LEU 73 38.800 9.195 34.666 1.00 1.00 ATOM 56 CA ALA 74 39.160 8.580 30.912 1.00 1.00 ATOM 57 CA ARG 75 40.284 12.198 30.380 1.00 1.00 ATOM 58 CA GLU 76 42.905 11.840 33.089 1.00 1.00 ATOM 59 CA GLU 77 44.134 8.538 31.660 1.00 1.00 ATOM 60 CA LEU 78 44.366 9.833 28.102 1.00 1.00 ATOM 61 CA GLU 79 46.293 12.872 29.324 1.00 1.00 ATOM 62 CA GLY 80 48.768 10.844 31.347 1.00 1.00 ATOM 63 CA THR 81 49.626 8.538 28.482 1.00 1.00 ATOM 64 CA ASP 82 50.259 11.520 26.212 1.00 1.00 ATOM 68 CA VAL 83 41.816 11.189 21.480 1.00 1.00 ATOM 69 CA LYS 84 38.277 12.479 21.738 1.00 1.00 ATOM 70 CA VAL 85 35.822 11.336 24.381 1.00 1.00 ATOM 71 CA VAL 86 32.363 10.422 23.129 1.00 1.00 ATOM 72 CA THR 87 29.476 9.245 25.206 1.00 1.00 ATOM 73 CA VAL 88 25.838 8.236 24.825 1.00 1.00 ATOM 74 CA VAL 89 22.555 9.754 25.943 1.00 1.00 ATOM 75 CA GLY 90 18.899 8.773 25.697 1.00 1.00 ATOM 76 CA PHE 91 20.519 5.347 25.492 1.00 1.00 ATOM 77 CA PRO 92 19.854 2.691 24.389 1.00 1.00 ATOM 78 CA LEU 93 16.090 2.952 24.355 1.00 1.00 ATOM 79 CA GLY 94 15.484 6.143 22.379 1.00 1.00 ATOM 80 CA ALA 95 12.571 7.286 24.508 1.00 1.00 ATOM 81 CA ASN 96 10.632 10.372 23.487 1.00 1.00 ATOM 82 CA GLU 97 11.004 12.407 26.718 1.00 1.00 ATOM 83 CA THR 98 12.928 15.459 25.616 1.00 1.00 ATOM 84 CA ARG 99 13.512 16.774 29.117 1.00 1.00 ATOM 85 CA THR 100 15.285 13.557 30.125 1.00 1.00 ATOM 86 CA LYS 101 17.395 13.350 26.994 1.00 1.00 ATOM 87 CA ALA 102 18.380 16.984 27.406 1.00 1.00 ATOM 88 CA HIS 103 19.274 16.595 31.076 1.00 1.00 ATOM 89 CA GLU 104 21.458 13.601 30.211 1.00 1.00 ATOM 90 CA ALA 105 23.115 15.593 27.422 1.00 1.00 ATOM 91 CA ILE 106 23.753 18.537 29.728 1.00 1.00 ATOM 92 CA PHE 107 25.305 16.149 32.240 1.00 1.00 ATOM 93 CA ALA 108 27.511 14.573 29.565 1.00 1.00 ATOM 94 CA VAL 109 28.737 18.049 28.651 1.00 1.00 ATOM 95 CA GLU 110 29.390 18.858 32.320 1.00 1.00 ATOM 96 CA SER 111 31.354 15.664 32.816 1.00 1.00 ATOM 97 CA GLY 112 33.594 16.847 29.962 1.00 1.00 ATOM 98 CA ALA 113 32.407 15.000 26.835 1.00 1.00 ATOM 99 CA ASP 114 33.811 16.082 23.502 1.00 1.00 ATOM 100 CA GLU 115 30.959 14.350 21.630 1.00 1.00 ATOM 101 CA ILE 116 27.499 13.080 22.541 1.00 1.00 ATOM 102 CA ASP 117 25.760 10.228 20.670 1.00 1.00 ATOM 103 CA MET 118 22.036 10.628 21.363 1.00 1.00 ATOM 104 CA VAL 119 19.430 8.017 20.463 1.00 1.00 ATOM 105 CA ILE 120 16.688 9.334 18.192 1.00 1.00 ATOM 106 CA ASN 121 13.081 8.605 19.351 1.00 1.00 ATOM 107 CA VAL 122 12.646 6.004 16.644 1.00 1.00 ATOM 108 CA GLY 123 9.579 4.299 18.117 1.00 1.00 ATOM 109 CA MET 124 7.786 7.630 18.098 1.00 1.00 ATOM 110 CA LEU 125 8.628 8.095 14.428 1.00 1.00 ATOM 111 CA LYS 126 7.398 4.540 13.700 1.00 1.00 ATOM 112 CA ALA 127 4.135 5.591 15.371 1.00 1.00 ATOM 113 CA LYS 128 3.888 8.605 13.050 1.00 1.00 ATOM 114 CA GLU 129 5.410 11.371 15.208 1.00 1.00 ATOM 115 CA TRP 130 8.097 13.173 13.223 1.00 1.00 ATOM 116 CA GLU 131 8.050 16.294 15.350 1.00 1.00 ATOM 117 CA TYR 132 9.328 14.845 18.628 1.00 1.00 ATOM 118 CA VAL 133 12.531 13.559 17.011 1.00 1.00 ATOM 119 CA TYR 134 13.145 16.979 15.471 1.00 1.00 ATOM 120 CA GLU 135 12.543 18.708 18.791 1.00 1.00 ATOM 121 CA ASP 136 14.682 16.212 20.747 1.00 1.00 ATOM 122 CA ILE 137 17.678 16.398 18.421 1.00 1.00 ATOM 123 CA ARG 138 17.384 20.223 18.164 1.00 1.00 ATOM 124 CA SER 139 17.356 20.636 21.973 1.00 1.00 ATOM 125 CA VAL 140 20.392 18.426 22.371 1.00 1.00 ATOM 126 CA VAL 141 22.191 20.142 19.478 1.00 1.00 ATOM 127 CA GLU 142 21.672 23.533 21.025 1.00 1.00 ATOM 128 CA SER 143 23.276 22.440 24.310 1.00 1.00 ATOM 129 CA VAL 144 26.131 20.736 22.518 1.00 1.00 ATOM 130 CA LYS 145 26.834 23.600 20.144 1.00 1.00 ATOM 133 CA GLY 146 31.634 23.151 21.391 1.00 1.00 ATOM 134 CA LYS 147 30.539 19.492 21.609 1.00 1.00 ATOM 135 CA VAL 148 29.650 17.479 18.505 1.00 1.00 ATOM 136 CA VAL 149 26.300 15.712 18.362 1.00 1.00 ATOM 137 CA LYS 150 25.870 12.329 16.770 1.00 1.00 ATOM 138 CA VAL 151 22.358 10.913 16.355 1.00 1.00 ATOM 139 CA ILE 152 21.722 7.168 16.559 1.00 1.00 ATOM 140 CA ILE 153 18.651 6.334 14.486 1.00 1.00 ATOM 141 CA GLU 154 18.521 2.559 15.178 1.00 1.00 ATOM 142 CA THR 155 18.239 1.276 11.634 1.00 1.00 ATOM 143 CA CYS 156 17.677 -2.297 12.777 1.00 1.00 ATOM 144 CA TYR 157 14.506 -1.322 14.550 1.00 1.00 ATOM 145 CA LEU 158 13.256 1.157 11.942 1.00 1.00 ATOM 146 CA ASP 159 13.851 -1.494 9.273 1.00 1.00 ATOM 147 CA THR 160 12.092 0.120 6.348 1.00 1.00 ATOM 149 CA GLU 161 11.619 5.106 4.056 1.00 1.00 ATOM 150 CA GLU 162 11.812 5.300 7.839 1.00 1.00 ATOM 151 CA LYS 163 15.645 5.141 7.805 1.00 1.00 ATOM 152 CA ILE 164 15.653 7.993 5.328 1.00 1.00 ATOM 153 CA ALA 165 13.114 10.014 7.315 1.00 1.00 ATOM 154 CA ALA 166 14.913 9.596 10.640 1.00 1.00 ATOM 155 CA CYS 167 18.157 10.605 8.936 1.00 1.00 ATOM 156 CA VAL 168 16.555 13.634 7.308 1.00 1.00 ATOM 157 CA ILE 169 14.880 14.841 10.502 1.00 1.00 ATOM 158 CA SER 170 18.100 14.445 12.425 1.00 1.00 ATOM 159 CA LYS 171 20.067 16.426 9.839 1.00 1.00 ATOM 160 CA LEU 172 17.477 19.184 9.719 1.00 1.00 ATOM 161 CA ALA 173 17.573 19.387 13.530 1.00 1.00 ATOM 162 CA GLY 174 21.358 19.848 13.456 1.00 1.00 ATOM 163 CA ALA 175 23.015 16.422 13.763 1.00 1.00 ATOM 164 CA HIS 176 26.769 16.596 13.142 1.00 1.00 ATOM 165 CA PHE 177 26.816 12.823 12.467 1.00 1.00 ATOM 166 CA VAL 178 24.197 10.182 11.818 1.00 1.00 ATOM 167 CA LYS 179 24.950 6.794 13.373 1.00 1.00 ATOM 168 CA THR 180 23.266 3.537 12.459 1.00 1.00 ATOM 169 CA SER 181 22.737 1.796 15.750 1.00 1.00 ATOM 170 CA THR 182 23.165 1.429 19.456 1.00 1.00 ATOM 171 CA GLY 183 24.758 -1.990 19.268 1.00 1.00 ATOM 172 CA PHE 184 22.143 -3.121 21.791 1.00 1.00 ATOM 173 CA GLY 185 19.412 -4.495 19.517 1.00 1.00 ATOM 174 CA THR 186 19.407 -7.594 17.327 1.00 1.00 ATOM 175 CA GLY 187 20.234 -5.893 14.018 1.00 1.00 ATOM 176 CA GLY 188 22.798 -3.085 13.862 1.00 1.00 ATOM 177 CA ALA 189 24.976 -1.792 11.008 1.00 1.00 ATOM 178 CA THR 190 24.476 -3.320 7.591 1.00 1.00 ATOM 179 CA ALA 191 25.961 -2.220 4.259 1.00 1.00 ATOM 180 CA GLU 192 22.486 -1.474 2.920 1.00 1.00 ATOM 181 CA ASP 193 21.617 0.725 5.908 1.00 1.00 ATOM 182 CA VAL 194 24.919 2.526 5.548 1.00 1.00 ATOM 183 CA HIS 195 24.228 3.162 1.873 1.00 1.00 ATOM 184 CA LEU 196 20.764 4.486 2.598 1.00 1.00 ATOM 185 CA MET 197 21.991 6.894 5.264 1.00 1.00 ATOM 186 CA LYS 198 24.899 8.134 3.164 1.00 1.00 ATOM 187 CA TRP 199 22.466 8.665 0.267 1.00 1.00 ATOM 188 CA ILE 200 20.500 10.994 2.575 1.00 1.00 ATOM 189 CA VAL 201 23.662 12.999 3.223 1.00 1.00 ATOM 190 CA GLY 202 24.163 13.131 -0.558 1.00 1.00 ATOM 191 CA ASP 203 20.539 14.030 -1.301 1.00 1.00 ATOM 192 CA GLU 204 20.521 16.890 1.195 1.00 1.00 ATOM 198 CA MET 205 27.320 15.725 8.440 1.00 1.00 ATOM 199 CA GLY 206 29.327 12.605 9.013 1.00 1.00 ATOM 200 CA VAL 207 28.364 8.945 9.040 1.00 1.00 ATOM 201 CA LYS 208 29.003 6.193 11.592 1.00 1.00 ATOM 202 CA ALA 209 28.339 2.495 11.088 1.00 1.00 ATOM 203 CA SER 210 28.028 0.991 14.534 1.00 1.00 ATOM 204 CA GLY 211 27.147 -2.284 16.161 1.00 1.00 ATOM 205 CA GLY 212 28.457 -5.652 15.150 1.00 1.00 ATOM 206 CA ILE 213 31.416 -4.370 13.114 1.00 1.00 ATOM 207 CA ARG 214 33.970 -6.958 14.236 1.00 1.00 ATOM 208 CA THR 215 36.414 -7.797 11.501 1.00 1.00 ATOM 209 CA PHE 216 38.798 -5.931 9.223 1.00 1.00 ATOM 210 CA GLU 217 36.793 -7.260 6.256 1.00 1.00 ATOM 211 CA ASP 218 33.588 -5.794 7.751 1.00 1.00 ATOM 212 CA ALA 219 35.210 -2.407 8.093 1.00 1.00 ATOM 213 CA VAL 220 36.441 -2.592 4.548 1.00 1.00 ATOM 214 CA LYS 221 32.871 -2.984 3.245 1.00 1.00 ATOM 215 CA MET 222 31.758 0.275 4.848 1.00 1.00 ATOM 216 CA ILE 223 34.702 2.351 3.670 1.00 1.00 ATOM 217 CA MET 224 34.103 0.987 0.177 1.00 1.00 ATOM 218 CA TYR 225 30.594 2.501 0.156 1.00 1.00 ATOM 219 CA GLY 226 31.810 5.844 1.500 1.00 1.00 ATOM 220 CA ALA 227 34.552 6.053 -1.087 1.00 1.00 ATOM 221 CA ASP 228 32.116 5.193 -3.893 1.00 1.00 ATOM 222 CA ARG 229 29.631 7.833 -2.885 1.00 1.00 ATOM 223 CA ILE 230 31.839 10.705 -1.815 1.00 1.00 ATOM 224 CA GLY 231 35.313 9.903 -3.114 1.00 1.00 ATOM 225 CA THR 232 38.158 8.535 -1.140 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:14:28 2002 Date: Tue, 20 Aug 2002 13:14:22 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Aug 20 12:46:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_607603_29094 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS189_2 Current information on models submitted in prediction T0183TS189 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_2 PIN_607603_29094 5035-2079-5263 08/20/02 12:46:40 casp5@bialko.llnl.gov T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_2 PIN_607603_29094 5035-2079-5263 08/20/02 12:46:40 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1JCL_A # Loading PARENT structure: 1jcl (chain: A) # Number of residues in PARENT structure: 251 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue I 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue D 30 # IMPORTANT NOTE! Not complete main chain atoms for residue V 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue E 36 # IMPORTANT NOTE! Not complete main chain atoms for residue H 37 # IMPORTANT NOTE! Not complete main chain atoms for residue T 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue K 41 # IMPORTANT NOTE! Not complete main chain atoms for residue P 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue T 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue D 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue K 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue L 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue R 57 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue G 231 # IMPORTANT NOTE! Not complete main chain atoms for residue T 232 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 208 # Total number of atoms in model: 208 # Number of atoms with 1.0 occupancy: 208 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 208 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JCL_A ATOM 4 CA GLU 24 42.815 -4.847 3.235 1.00 1.00 ATOM 5 CA SER 25 45.885 -3.355 5.080 1.00 1.00 ATOM 6 CA ALA 26 45.050 0.102 3.641 1.00 1.00 ATOM 7 CA GLY 27 41.429 -0.151 4.747 1.00 1.00 ATOM 8 CA ILE 28 42.349 -1.562 8.165 1.00 1.00 ATOM 9 CA GLU 29 44.697 1.286 9.077 1.00 1.00 ATOM 10 CA ASP 30 42.059 3.802 7.996 1.00 1.00 ATOM 11 CA VAL 31 39.398 2.025 10.048 1.00 1.00 ATOM 12 CA LYS 32 41.650 1.977 13.110 1.00 1.00 ATOM 13 CA SER 33 42.199 5.722 12.914 1.00 1.00 ATOM 14 CA ALA 34 38.453 6.264 12.495 1.00 1.00 ATOM 15 CA ILE 35 37.409 4.057 15.408 1.00 1.00 ATOM 16 CA GLU 36 35.268 5.080 18.357 1.00 1.00 ATOM 17 CA HIS 37 36.677 2.280 20.569 1.00 1.00 ATOM 18 CA THR 38 33.753 1.366 22.795 1.00 1.00 ATOM 19 CA ASN 39 32.769 -0.284 26.042 1.00 1.00 ATOM 20 CA LEU 40 29.091 0.030 27.035 1.00 1.00 ATOM 21 CA LYS 41 28.322 -2.778 29.473 1.00 1.00 ATOM 22 CA PRO 42 26.408 -3.056 32.693 1.00 1.00 ATOM 23 CA PHE 43 29.479 -4.501 34.380 1.00 1.00 ATOM 24 CA ALA 44 31.824 -1.774 33.278 1.00 1.00 ATOM 25 CA THR 45 34.266 -0.472 35.842 1.00 1.00 ATOM 26 CA PRO 46 37.021 2.131 36.059 1.00 1.00 ATOM 27 CA ASP 47 39.528 -0.693 35.518 1.00 1.00 ATOM 28 CA ASP 48 37.846 -1.737 32.266 1.00 1.00 ATOM 29 CA ILE 49 37.721 1.863 31.027 1.00 1.00 ATOM 30 CA LYS 50 41.401 2.427 31.880 1.00 1.00 ATOM 31 CA LYS 51 42.300 -0.720 29.924 1.00 1.00 ATOM 32 CA LEU 52 40.201 0.541 26.973 1.00 1.00 ATOM 33 CA CYS 53 42.109 3.825 26.985 1.00 1.00 ATOM 34 CA LEU 54 45.391 1.950 26.862 1.00 1.00 ATOM 35 CA GLU 55 44.057 -0.178 23.970 1.00 1.00 ATOM 36 CA ALA 56 43.231 2.974 21.984 1.00 1.00 ATOM 37 CA ARG 57 46.953 3.839 21.874 1.00 1.00 ATOM 41 CA ASN 59 48.463 5.068 15.792 1.00 1.00 ATOM 42 CA ARG 60 45.549 6.098 17.947 1.00 1.00 ATOM 43 CA PHE 61 41.866 5.493 17.479 1.00 1.00 ATOM 44 CA HIS 62 39.795 8.601 16.820 1.00 1.00 ATOM 45 CA GLY 63 37.918 8.314 20.087 1.00 1.00 ATOM 46 CA VAL 64 36.695 6.132 22.853 1.00 1.00 ATOM 47 CA CYS 65 32.995 5.712 23.685 1.00 1.00 ATOM 48 CA VAL 66 32.012 4.979 27.293 1.00 1.00 ATOM 49 CA ASN 67 29.112 5.649 29.660 1.00 1.00 ATOM 50 CA PRO 68 29.116 9.239 30.982 1.00 1.00 ATOM 51 CA CYS 69 30.191 8.398 34.525 1.00 1.00 ATOM 52 CA TYR 70 33.510 7.089 33.230 1.00 1.00 ATOM 53 CA VAL 71 34.457 10.298 31.335 1.00 1.00 ATOM 54 CA LYS 72 36.593 11.900 34.112 1.00 1.00 ATOM 55 CA LEU 73 38.735 8.814 34.733 1.00 1.00 ATOM 56 CA ALA 74 39.073 8.251 30.983 1.00 1.00 ATOM 57 CA ARG 75 40.236 11.841 30.454 1.00 1.00 ATOM 58 CA GLU 76 42.848 11.434 33.182 1.00 1.00 ATOM 59 CA GLU 77 44.066 8.160 31.682 1.00 1.00 ATOM 60 CA LEU 78 44.301 9.472 28.136 1.00 1.00 ATOM 61 CA GLU 79 46.263 12.484 29.409 1.00 1.00 ATOM 62 CA GLY 80 48.693 10.426 31.458 1.00 1.00 ATOM 63 CA THR 81 49.555 8.169 28.513 1.00 1.00 ATOM 64 CA ASP 82 50.215 11.165 26.283 1.00 1.00 ATOM 68 CA VAL 83 41.812 10.882 21.521 1.00 1.00 ATOM 69 CA LYS 84 38.282 12.205 21.821 1.00 1.00 ATOM 70 CA VAL 85 35.808 11.058 24.444 1.00 1.00 ATOM 71 CA VAL 86 32.368 10.138 23.145 1.00 1.00 ATOM 72 CA THR 87 29.465 8.966 25.252 1.00 1.00 ATOM 73 CA VAL 88 25.821 7.957 24.848 1.00 1.00 ATOM 74 CA VAL 89 22.515 9.460 25.975 1.00 1.00 ATOM 75 CA GLY 90 18.875 8.427 25.691 1.00 1.00 ATOM 76 CA PHE 91 20.494 5.025 25.464 1.00 1.00 ATOM 77 CA PRO 92 19.821 2.375 24.388 1.00 1.00 ATOM 78 CA LEU 93 16.053 2.664 24.368 1.00 1.00 ATOM 79 CA GLY 94 15.466 5.853 22.372 1.00 1.00 ATOM 80 CA ALA 95 12.543 6.945 24.502 1.00 1.00 ATOM 81 CA ASN 96 10.563 10.044 23.506 1.00 1.00 ATOM 82 CA GLU 97 11.021 12.065 26.726 1.00 1.00 ATOM 83 CA THR 98 12.911 15.135 25.620 1.00 1.00 ATOM 84 CA ARG 99 13.479 16.427 29.130 1.00 1.00 ATOM 85 CA THR 100 15.266 13.194 30.111 1.00 1.00 ATOM 86 CA LYS 101 17.382 13.030 26.972 1.00 1.00 ATOM 87 CA ALA 102 18.360 16.651 27.387 1.00 1.00 ATOM 88 CA HIS 103 19.212 16.225 31.081 1.00 1.00 ATOM 89 CA GLU 104 21.454 13.276 30.227 1.00 1.00 ATOM 90 CA ALA 105 23.100 15.267 27.440 1.00 1.00 ATOM 91 CA ILE 106 23.721 18.223 29.762 1.00 1.00 ATOM 92 CA PHE 107 25.262 15.818 32.303 1.00 1.00 ATOM 93 CA ALA 108 27.485 14.266 29.606 1.00 1.00 ATOM 94 CA VAL 109 28.684 17.754 28.706 1.00 1.00 ATOM 95 CA GLU 110 29.352 18.567 32.397 1.00 1.00 ATOM 96 CA SER 111 31.337 15.360 32.907 1.00 1.00 ATOM 97 CA GLY 112 33.561 16.532 30.034 1.00 1.00 ATOM 98 CA ALA 113 32.390 14.701 26.910 1.00 1.00 ATOM 99 CA ASP 114 33.783 15.780 23.560 1.00 1.00 ATOM 100 CA GLU 115 30.953 14.048 21.666 1.00 1.00 ATOM 101 CA ILE 116 27.490 12.739 22.538 1.00 1.00 ATOM 102 CA ASP 117 25.812 9.924 20.635 1.00 1.00 ATOM 103 CA MET 118 22.056 10.281 21.391 1.00 1.00 ATOM 104 CA VAL 119 19.416 7.703 20.467 1.00 1.00 ATOM 105 CA ILE 120 16.660 9.028 18.223 1.00 1.00 ATOM 106 CA ASN 121 13.049 8.309 19.333 1.00 1.00 ATOM 107 CA VAL 122 12.625 5.707 16.648 1.00 1.00 ATOM 108 CA GLY 123 9.559 3.997 18.123 1.00 1.00 ATOM 109 CA MET 124 7.792 7.347 18.126 1.00 1.00 ATOM 110 CA LEU 125 8.603 7.771 14.424 1.00 1.00 ATOM 111 CA LYS 126 7.327 4.241 13.698 1.00 1.00 ATOM 112 CA ALA 127 4.075 5.282 15.403 1.00 1.00 ATOM 113 CA LYS 128 3.830 8.319 13.103 1.00 1.00 ATOM 114 CA GLU 129 5.352 11.067 15.217 1.00 1.00 ATOM 115 CA TRP 130 8.081 12.863 13.262 1.00 1.00 ATOM 116 CA GLU 131 8.038 16.028 15.400 1.00 1.00 ATOM 117 CA TYR 132 9.314 14.515 18.633 1.00 1.00 ATOM 118 CA VAL 133 12.487 13.251 16.949 1.00 1.00 ATOM 119 CA TYR 134 13.123 16.699 15.468 1.00 1.00 ATOM 120 CA GLU 135 12.538 18.386 18.823 1.00 1.00 ATOM 121 CA ASP 136 14.635 15.860 20.769 1.00 1.00 ATOM 122 CA ILE 137 17.648 16.098 18.450 1.00 1.00 ATOM 123 CA ARG 138 17.383 19.906 18.201 1.00 1.00 ATOM 124 CA SER 139 17.330 20.315 21.988 1.00 1.00 ATOM 125 CA VAL 140 20.376 18.107 22.393 1.00 1.00 ATOM 126 CA VAL 141 22.179 19.818 19.493 1.00 1.00 ATOM 127 CA GLU 142 21.617 23.232 21.073 1.00 1.00 ATOM 128 CA SER 143 23.226 22.126 24.313 1.00 1.00 ATOM 129 CA VAL 144 26.121 20.405 22.547 1.00 1.00 ATOM 130 CA LYS 145 26.817 23.256 20.144 1.00 1.00 ATOM 133 CA GLY 146 31.637 22.807 21.429 1.00 1.00 ATOM 134 CA LYS 147 30.518 19.167 21.658 1.00 1.00 ATOM 135 CA VAL 148 29.681 17.115 18.525 1.00 1.00 ATOM 136 CA VAL 149 26.314 15.371 18.390 1.00 1.00 ATOM 137 CA LYS 150 25.816 12.006 16.726 1.00 1.00 ATOM 138 CA VAL 151 22.298 10.619 16.326 1.00 1.00 ATOM 139 CA ILE 152 21.641 6.869 16.522 1.00 1.00 ATOM 140 CA ILE 153 18.568 6.007 14.469 1.00 1.00 ATOM 141 CA GLU 154 18.438 2.219 15.150 1.00 1.00 ATOM 142 CA THR 155 18.148 0.953 11.598 1.00 1.00 ATOM 143 CA CYS 156 17.589 -2.609 12.771 1.00 1.00 ATOM 144 CA TYR 157 14.404 -1.604 14.503 1.00 1.00 ATOM 145 CA LEU 158 13.186 0.882 11.912 1.00 1.00 ATOM 146 CA ASP 159 13.779 -1.782 9.233 1.00 1.00 ATOM 147 CA THR 160 11.997 -0.131 6.302 1.00 1.00 ATOM 149 CA GLU 161 11.592 4.817 4.039 1.00 1.00 ATOM 150 CA GLU 162 11.775 4.994 7.823 1.00 1.00 ATOM 151 CA LYS 163 15.591 4.825 7.784 1.00 1.00 ATOM 152 CA ILE 164 15.630 7.682 5.323 1.00 1.00 ATOM 153 CA ALA 165 13.101 9.742 7.295 1.00 1.00 ATOM 154 CA ALA 166 14.876 9.311 10.625 1.00 1.00 ATOM 155 CA CYS 167 18.139 10.309 8.947 1.00 1.00 ATOM 156 CA VAL 168 16.508 13.329 7.328 1.00 1.00 ATOM 157 CA ILE 169 14.829 14.546 10.510 1.00 1.00 ATOM 158 CA SER 170 18.083 14.132 12.442 1.00 1.00 ATOM 159 CA LYS 171 20.030 16.127 9.857 1.00 1.00 ATOM 160 CA LEU 172 17.404 18.874 9.746 1.00 1.00 ATOM 161 CA ALA 173 17.552 19.104 13.553 1.00 1.00 ATOM 162 CA GLY 174 21.330 19.547 13.480 1.00 1.00 ATOM 163 CA ALA 175 22.957 16.113 13.757 1.00 1.00 ATOM 164 CA HIS 176 26.721 16.275 13.151 1.00 1.00 ATOM 165 CA PHE 177 26.759 12.495 12.470 1.00 1.00 ATOM 166 CA VAL 178 24.130 9.870 11.804 1.00 1.00 ATOM 167 CA LYS 179 24.867 6.462 13.354 1.00 1.00 ATOM 168 CA THR 180 23.174 3.190 12.426 1.00 1.00 ATOM 169 CA SER 181 22.647 1.424 15.678 1.00 1.00 ATOM 170 CA THR 182 23.087 1.059 19.420 1.00 1.00 ATOM 171 CA GLY 183 24.678 -2.376 19.227 1.00 1.00 ATOM 172 CA PHE 184 22.047 -3.446 21.788 1.00 1.00 ATOM 173 CA GLY 185 19.327 -4.821 19.477 1.00 1.00 ATOM 174 CA THR 186 19.276 -7.920 17.285 1.00 1.00 ATOM 175 CA GLY 187 20.173 -6.207 13.963 1.00 1.00 ATOM 176 CA GLY 188 22.734 -3.425 13.836 1.00 1.00 ATOM 177 CA ALA 189 24.915 -2.116 11.006 1.00 1.00 ATOM 178 CA THR 190 24.450 -3.625 7.567 1.00 1.00 ATOM 179 CA ALA 191 25.982 -2.497 4.252 1.00 1.00 ATOM 180 CA GLU 192 22.496 -1.760 2.923 1.00 1.00 ATOM 181 CA ASP 193 21.597 0.403 5.913 1.00 1.00 ATOM 182 CA VAL 194 24.904 2.232 5.516 1.00 1.00 ATOM 183 CA HIS 195 24.221 2.885 1.844 1.00 1.00 ATOM 184 CA LEU 196 20.735 4.194 2.579 1.00 1.00 ATOM 185 CA MET 197 21.956 6.567 5.271 1.00 1.00 ATOM 186 CA LYS 198 24.860 7.822 3.178 1.00 1.00 ATOM 187 CA TRP 199 22.438 8.351 0.271 1.00 1.00 ATOM 188 CA ILE 200 20.479 10.696 2.565 1.00 1.00 ATOM 189 CA VAL 201 23.626 12.699 3.235 1.00 1.00 ATOM 190 CA GLY 202 24.136 12.822 -0.532 1.00 1.00 ATOM 191 CA ASP 203 20.497 13.744 -1.310 1.00 1.00 ATOM 192 CA GLU 204 20.478 16.587 1.205 1.00 1.00 ATOM 198 CA MET 205 27.258 15.416 8.449 1.00 1.00 ATOM 199 CA GLY 206 29.346 12.310 9.043 1.00 1.00 ATOM 200 CA VAL 207 28.375 8.644 9.064 1.00 1.00 ATOM 201 CA LYS 208 29.027 6.015 11.759 1.00 1.00 ATOM 202 CA ALA 209 28.241 2.337 11.227 1.00 1.00 ATOM 203 CA SER 210 27.983 0.615 14.610 1.00 1.00 ATOM 204 CA GLY 211 27.089 -2.673 16.153 1.00 1.00 ATOM 205 CA GLY 212 28.414 -6.023 15.010 1.00 1.00 ATOM 206 CA ILE 213 31.364 -4.634 13.036 1.00 1.00 ATOM 207 CA ARG 214 33.847 -7.250 14.207 1.00 1.00 ATOM 208 CA THR 215 36.412 -8.050 11.498 1.00 1.00 ATOM 209 CA PHE 216 38.786 -6.185 9.269 1.00 1.00 ATOM 210 CA GLU 217 36.778 -7.481 6.274 1.00 1.00 ATOM 211 CA ASP 218 33.552 -6.073 7.820 1.00 1.00 ATOM 212 CA ALA 219 35.166 -2.665 8.140 1.00 1.00 ATOM 213 CA VAL 220 36.424 -2.826 4.592 1.00 1.00 ATOM 214 CA LYS 221 32.880 -3.235 3.270 1.00 1.00 ATOM 215 CA MET 222 31.738 -0.020 4.921 1.00 1.00 ATOM 216 CA ILE 223 34.660 2.101 3.701 1.00 1.00 ATOM 217 CA MET 224 34.097 0.694 0.182 1.00 1.00 ATOM 218 CA TYR 225 30.590 2.246 0.144 1.00 1.00 ATOM 219 CA GLY 226 31.803 5.581 1.520 1.00 1.00 ATOM 220 CA ALA 227 34.578 5.757 -1.064 1.00 1.00 ATOM 221 CA ASP 228 32.115 4.901 -3.868 1.00 1.00 ATOM 222 CA ARG 229 29.628 7.531 -2.880 1.00 1.00 ATOM 223 CA ILE 230 31.847 10.452 -1.795 1.00 1.00 ATOM 224 CA GLY 231 35.320 9.609 -3.078 1.00 1.00 ATOM 225 CA THR 232 38.178 8.236 -1.059 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:09:29 2002 Date: Tue, 20 Aug 2002 13:09:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Aug 20 12:41:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_552365_29078 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS189_4 Current information on models submitted in prediction T0183TS189 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1GTH_B # Loading PARENT structure: 1gth (chain: B) # Number of residues in PARENT structure: 1012 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 142 # Total number of atoms in model: 142 # Number of atoms with 1.0 occupancy: 142 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 142 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1GTH_B ATOM 620 CA CYS 69 91.301 90.504 58.866 1.00 1.00 ATOM 621 CA TYR 70 89.304 87.741 57.197 1.00 1.00 ATOM 622 CA VAL 71 91.820 87.046 54.455 1.00 1.00 ATOM 623 CA LYS 72 94.736 86.866 56.891 1.00 1.00 ATOM 624 CA LEU 73 92.567 84.662 59.129 1.00 1.00 ATOM 625 CA ALA 74 91.801 82.259 56.289 1.00 1.00 ATOM 626 CA ARG 75 95.491 81.885 55.502 1.00 1.00 ATOM 627 CA GLU 76 96.155 81.130 59.187 1.00 1.00 ATOM 628 CA GLU 77 93.285 78.643 59.460 1.00 1.00 ATOM 629 CA LEU 78 94.198 76.769 56.261 1.00 1.00 ATOM 630 CA GLU 79 97.829 76.627 57.361 1.00 1.00 ATOM 631 CA GLY 80 96.904 75.048 60.699 1.00 1.00 ATOM 632 CA THR 81 93.947 72.951 59.529 1.00 1.00 ATOM 633 CA ASP 82 94.668 71.793 55.954 1.00 1.00 ATOM 636 CA VAL 83 87.334 73.141 54.636 1.00 1.00 ATOM 637 CA LYS 84 87.207 76.943 54.914 1.00 1.00 ATOM 638 CA VAL 85 84.678 78.758 52.735 1.00 1.00 ATOM 639 CA VAL 86 84.883 82.532 52.477 1.00 1.00 ATOM 640 CA THR 87 81.491 84.248 52.421 1.00 1.00 ATOM 641 CA VAL 88 81.562 87.558 50.536 1.00 1.00 ATOM 644 CA ALA 95 76.719 95.502 45.332 1.00 1.00 ATOM 645 CA ASN 96 75.769 94.869 41.693 1.00 1.00 ATOM 646 CA GLU 97 79.267 95.857 40.527 1.00 1.00 ATOM 647 CA THR 98 81.443 93.620 38.318 1.00 1.00 ATOM 648 CA ARG 99 84.788 95.056 39.398 1.00 1.00 ATOM 649 CA THR 100 83.900 94.761 43.093 1.00 1.00 ATOM 650 CA LYS 101 82.838 91.121 42.888 1.00 1.00 ATOM 651 CA ALA 102 85.971 90.260 40.914 1.00 1.00 ATOM 652 CA HIS 103 88.244 92.141 43.305 1.00 1.00 ATOM 653 CA GLU 104 86.810 90.652 46.502 1.00 1.00 ATOM 654 CA ALA 105 86.518 87.092 45.191 1.00 1.00 ATOM 655 CA ILE 106 90.145 87.190 44.019 1.00 1.00 ATOM 656 CA PHE 107 91.335 88.586 47.335 1.00 1.00 ATOM 657 CA ALA 108 89.512 85.744 49.092 1.00 1.00 ATOM 658 CA VAL 109 90.863 83.133 46.670 1.00 1.00 ATOM 659 CA GLU 110 94.440 84.364 47.127 1.00 1.00 ATOM 660 CA SER 111 94.176 84.025 50.922 1.00 1.00 ATOM 661 CA GLY 112 93.857 80.271 50.453 1.00 1.00 ATOM 662 CA ALA 113 90.100 79.748 50.847 1.00 1.00 ATOM 663 CA ASP 114 88.949 76.335 49.577 1.00 1.00 ATOM 664 CA GLU 115 85.857 77.945 48.063 1.00 1.00 ATOM 665 CA ILE 116 83.639 81.004 48.212 1.00 1.00 ATOM 666 CA ASP 117 80.010 81.546 49.132 1.00 1.00 ATOM 667 CA MET 118 78.221 84.431 47.442 1.00 1.00 ATOM 668 CA VAL 119 75.836 86.070 49.891 1.00 1.00 ATOM 669 CA ILE 120 72.935 87.063 47.642 1.00 1.00 ATOM 670 CA ASN 121 70.354 86.495 50.365 1.00 1.00 ATOM 680 CA VAL 122 72.819 94.184 48.156 1.00 1.00 ATOM 681 CA GLY 123 71.416 90.988 49.685 1.00 1.00 ATOM 682 CA MET 124 67.953 89.958 48.473 1.00 1.00 ATOM 683 CA LEU 125 67.469 92.683 45.860 1.00 1.00 ATOM 684 CA LYS 126 70.215 90.894 43.913 1.00 1.00 ATOM 685 CA ALA 127 69.197 87.378 45.036 1.00 1.00 ATOM 686 CA LYS 128 65.548 87.486 43.995 1.00 1.00 ATOM 687 CA GLU 129 66.193 88.238 40.323 1.00 1.00 ATOM 688 CA TRP 130 67.465 85.281 38.205 1.00 1.00 ATOM 689 CA GLU 131 69.130 87.672 35.759 1.00 1.00 ATOM 690 CA TYR 132 71.178 89.432 38.414 1.00 1.00 ATOM 691 CA VAL 133 72.091 86.152 40.118 1.00 1.00 ATOM 692 CA TYR 134 73.294 84.771 36.768 1.00 1.00 ATOM 693 CA GLU 135 75.511 87.781 36.021 1.00 1.00 ATOM 694 CA ASP 136 77.092 87.953 39.470 1.00 1.00 ATOM 695 CA ILE 137 78.005 84.268 39.229 1.00 1.00 ATOM 696 CA ARG 138 79.465 84.877 35.757 1.00 1.00 ATOM 697 CA SER 139 81.625 87.707 37.120 1.00 1.00 ATOM 698 CA VAL 140 82.952 85.442 39.887 1.00 1.00 ATOM 699 CA VAL 141 83.438 82.390 37.651 1.00 1.00 ATOM 700 CA GLU 142 85.629 84.527 35.408 1.00 1.00 ATOM 701 CA SER 143 87.547 85.976 38.365 1.00 1.00 ATOM 702 CA VAL 144 88.571 82.830 40.253 1.00 1.00 ATOM 703 CA LYS 145 89.453 79.165 39.697 1.00 1.00 ATOM 705 CA GLY 146 84.742 76.529 43.373 1.00 1.00 ATOM 706 CA LYS 147 82.094 78.945 44.645 1.00 1.00 ATOM 707 CA VAL 148 78.485 78.598 45.750 1.00 1.00 ATOM 708 CA VAL 149 75.566 81.029 45.610 1.00 1.00 ATOM 709 CA LYS 150 73.685 81.327 48.896 1.00 1.00 ATOM 710 CA VAL 151 69.992 81.531 48.009 1.00 1.00 ATOM 711 CA THR 155 67.134 83.228 49.806 1.00 1.00 ATOM 712 CA CYS 156 63.929 81.301 50.515 1.00 1.00 ATOM 713 CA TYR 157 61.987 84.558 50.183 1.00 1.00 ATOM 714 CA LEU 158 61.086 84.121 46.506 1.00 1.00 ATOM 715 CA GLU 161 58.194 82.666 44.565 1.00 1.00 ATOM 716 CA GLU 162 60.385 80.061 42.859 1.00 1.00 ATOM 717 CA LYS 163 63.788 79.297 44.356 1.00 1.00 ATOM 718 CA ILE 164 64.557 76.874 41.514 1.00 1.00 ATOM 719 CA ALA 165 64.697 79.779 39.050 1.00 1.00 ATOM 720 CA ALA 166 67.501 81.482 40.981 1.00 1.00 ATOM 721 CA CYS 167 69.272 78.172 41.631 1.00 1.00 ATOM 722 CA VAL 168 69.205 77.455 37.890 1.00 1.00 ATOM 723 CA ILE 169 70.410 81.000 37.184 1.00 1.00 ATOM 724 CA SER 170 73.390 80.383 39.472 1.00 1.00 ATOM 725 CA LYS 171 74.197 77.121 37.694 1.00 1.00 ATOM 726 CA LEU 172 73.951 78.853 34.301 1.00 1.00 ATOM 727 CA ALA 173 76.251 81.564 35.592 1.00 1.00 ATOM 728 CA GLY 174 78.934 79.032 36.444 1.00 1.00 ATOM 729 CA ALA 175 78.372 78.400 40.153 1.00 1.00 ATOM 730 CA HIS 176 79.610 75.026 41.428 1.00 1.00 ATOM 731 CA PHE 177 76.586 74.692 43.654 1.00 1.00 ATOM 732 CA VAL 178 74.136 76.518 45.868 1.00 1.00 ATOM 733 CA LYS 179 73.581 76.934 49.575 1.00 1.00 ATOM 734 CA THR 180 69.923 76.606 50.508 1.00 1.00 ATOM 735 CA SER 181 68.903 78.581 52.310 1.00 1.00 ATOM 736 CA THR 182 69.388 81.893 54.114 1.00 1.00 ATOM 737 CA PHE 184 66.918 83.153 56.736 1.00 1.00 ATOM 772 CA ALA 191 60.116 72.787 56.575 1.00 1.00 ATOM 773 CA GLU 192 60.877 75.705 54.260 1.00 1.00 ATOM 774 CA ASP 193 64.527 74.718 53.883 1.00 1.00 ATOM 775 CA VAL 194 63.742 71.028 53.306 1.00 1.00 ATOM 776 CA HIS 195 61.269 71.955 50.590 1.00 1.00 ATOM 777 CA LEU 196 63.861 74.226 48.983 1.00 1.00 ATOM 778 CA MET 197 66.591 71.600 49.052 1.00 1.00 ATOM 779 CA LYS 198 64.338 68.881 47.620 1.00 1.00 ATOM 780 CA TRP 199 62.859 71.028 44.801 1.00 1.00 ATOM 781 CA ILE 200 66.312 72.175 43.722 1.00 1.00 ATOM 782 CA VAL 201 67.655 68.611 43.936 1.00 1.00 ATOM 783 CA GLY 202 64.809 67.304 41.753 1.00 1.00 ATOM 784 CA ASP 203 65.040 70.123 39.215 1.00 1.00 ATOM 785 CA GLU 204 68.858 70.155 38.920 1.00 1.00 ATOM 788 CA MET 205 74.043 69.963 41.288 1.00 1.00 ATOM 789 CA GLY 206 75.855 70.381 44.672 1.00 1.00 ATOM 790 CA VAL 207 73.687 71.674 47.512 1.00 1.00 ATOM 791 CA LYS 208 74.920 72.873 50.895 1.00 1.00 ATOM 792 CA ALA 209 71.933 72.758 53.229 1.00 1.00 ATOM 793 CA SER 210 71.119 75.225 55.980 1.00 1.00 ATOM 794 CA GLY 211 67.959 75.778 57.993 1.00 1.00 ATOM 795 CA GLY 212 67.055 74.026 61.222 1.00 1.00 ATOM 796 CA ILE 213 69.769 71.355 61.270 1.00 1.00 ATOM 797 CA ARG 214 70.275 70.470 64.957 1.00 1.00 ATOM 798 CA THR 215 71.158 66.758 65.018 1.00 1.00 ATOM 799 CA PHE 216 72.560 63.854 63.010 1.00 1.00 ATOM 800 CA GLU 217 68.985 62.740 62.458 1.00 1.00 ATOM 801 CA ASP 218 67.787 66.051 60.981 1.00 1.00 ATOM 802 CA ALA 219 71.063 66.323 59.099 1.00 1.00 ATOM 803 CA VAL 220 70.420 62.921 57.499 1.00 1.00 ATOM 804 CA LYS 221 67.042 64.246 56.363 1.00 1.00 ATOM 805 CA MET 222 68.770 66.959 54.323 1.00 1.00 ATOM 806 CA ILE 223 71.276 64.457 52.894 1.00 1.00 ATOM 807 CA MET 224 68.365 62.215 51.849 1.00 1.00 ATOM 808 CA TYR 225 66.805 65.338 50.347 1.00 1.00 ATOM 809 CA GLY 226 69.753 65.965 48.027 1.00 1.00 ATOM 810 CA ALA 227 72.266 67.990 50.040 1.00 1.00 ATOM 811 CA ASP 228 75.921 66.893 50.321 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:15:08 2002 Date: Tue, 20 Aug 2002 13:15:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 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 Aug 20 12:46:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_604881_29095 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS189_3 Current information on models submitted in prediction T0183TS189 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_3 PIN_604881_29095 5035-2079-5263 08/20/02 12:46:59 casp5@bialko.llnl.gov T0183TS189_2 PIN_607603_29094 5035-2079-5263 08/20/02 12:46:40 casp5@bialko.llnl.gov T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_2 PIN_607603_29094 5035-2079-5263 08/20/02 12:46:40 casp5@bialko.llnl.gov T0183TS189_3 PIN_604881_29095 5035-2079-5263 08/20/02 12:46:59 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1QCW_A # Loading PARENT structure: 1qcw (chain: A) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue F 61 # IMPORTANT NOTE! Not complete main chain atoms for residue H 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue C 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue P 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue I 152 # IMPORTANT NOTE! Not complete main chain atoms for residue I 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue D 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue G 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue T 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 139 # Total number of atoms in model: 139 # Number of atoms with 1.0 occupancy: 139 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 139 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1QCW_A ATOM 248 CA ASN 59 78.015 55.109 -13.823 1.00 1.00 ATOM 249 CA ARG 60 77.757 53.758 -10.284 1.00 1.00 ATOM 250 CA PHE 61 77.994 55.995 -7.240 1.00 1.00 ATOM 251 CA HIS 62 78.273 54.791 -3.656 1.00 1.00 ATOM 252 CA GLY 63 76.062 55.902 -0.776 1.00 1.00 ATOM 253 CA VAL 64 77.999 55.973 2.472 1.00 1.00 ATOM 254 CA CYS 65 76.620 55.655 6.006 1.00 1.00 ATOM 255 CA VAL 66 79.642 56.326 8.224 1.00 1.00 ATOM 256 CA ASN 67 79.923 53.707 10.950 1.00 1.00 ATOM 257 CA PRO 68 80.512 54.510 14.608 1.00 1.00 ATOM 260 CA CYS 69 87.685 51.722 10.831 1.00 1.00 ATOM 261 CA TYR 70 84.916 49.838 9.069 1.00 1.00 ATOM 262 CA VAL 71 83.966 52.901 7.029 1.00 1.00 ATOM 263 CA LYS 72 87.591 53.686 6.231 1.00 1.00 ATOM 264 CA LEU 73 87.925 50.277 4.610 1.00 1.00 ATOM 265 CA ALA 74 84.568 50.642 2.796 1.00 1.00 ATOM 266 CA ARG 75 85.704 53.859 1.171 1.00 1.00 ATOM 267 CA GLU 76 88.933 52.133 0.104 1.00 1.00 ATOM 268 CA GLU 77 87.078 49.127 -1.298 1.00 1.00 ATOM 269 CA LEU 78 84.335 50.838 -3.275 1.00 1.00 ATOM 270 CA GLU 79 86.858 53.391 -4.525 1.00 1.00 ATOM 271 CA GLY 80 89.035 50.502 -5.701 1.00 1.00 ATOM 272 CA THR 81 85.970 48.749 -7.154 1.00 1.00 ATOM 273 CA ASP 82 85.571 51.771 -9.423 1.00 1.00 ATOM 274 CA VAL 83 82.545 53.681 -8.098 1.00 1.00 ATOM 275 CA LYS 84 82.541 57.234 -9.500 1.00 1.00 ATOM 276 CA VAL 85 81.550 59.203 -6.378 1.00 1.00 ATOM 277 CA VAL 86 80.718 59.096 -2.676 1.00 1.00 ATOM 278 CA THR 87 77.318 60.211 -1.403 1.00 1.00 ATOM 279 CA VAL 88 77.587 60.317 2.390 1.00 1.00 ATOM 281 CA VAL 89 73.790 63.005 6.620 1.00 1.00 ATOM 282 CA GLY 90 69.999 62.916 7.204 1.00 1.00 ATOM 283 CA PHE 91 69.803 59.626 9.093 1.00 1.00 ATOM 284 CA PRO 92 71.684 60.046 12.404 1.00 1.00 ATOM 286 CA LEU 93 65.742 56.375 13.706 1.00 1.00 ATOM 287 CA GLY 94 62.960 58.047 11.738 1.00 1.00 ATOM 288 CA ALA 95 60.127 55.800 12.860 1.00 1.00 ATOM 289 CA ASN 96 58.277 53.877 10.085 1.00 1.00 ATOM 290 CA GLU 97 55.035 53.028 11.852 1.00 1.00 ATOM 291 CA THR 98 53.762 50.970 8.887 1.00 1.00 ATOM 292 CA ARG 99 56.688 48.635 9.451 1.00 1.00 ATOM 293 CA THR 100 56.510 48.800 13.249 1.00 1.00 ATOM 294 CA LYS 101 52.867 47.751 13.167 1.00 1.00 ATOM 323 CA LEU 125 71.678 51.742 14.224 1.00 1.00 ATOM 324 CA LYS 126 75.334 51.214 15.094 1.00 1.00 ATOM 325 CA ALA 127 76.184 51.333 11.374 1.00 1.00 ATOM 326 CA LYS 128 75.100 54.955 11.260 1.00 1.00 ATOM 327 CA GLU 129 77.291 57.130 13.482 1.00 1.00 ATOM 328 CA TRP 130 75.133 59.859 15.186 1.00 1.00 ATOM 329 CA GLU 131 78.267 61.952 15.727 1.00 1.00 ATOM 330 CA TYR 132 79.226 62.814 12.125 1.00 1.00 ATOM 331 CA VAL 133 80.449 66.371 11.740 1.00 1.00 ATOM 332 CA TYR 134 81.571 68.795 9.066 1.00 1.00 ATOM 333 CA GLU 135 85.074 68.057 10.339 1.00 1.00 ATOM 334 CA ASP 136 84.564 64.406 9.465 1.00 1.00 ATOM 335 CA ILE 137 83.644 65.305 5.925 1.00 1.00 ATOM 336 CA ARG 138 86.749 67.490 5.840 1.00 1.00 ATOM 337 CA SER 139 88.738 64.394 6.721 1.00 1.00 ATOM 338 CA VAL 140 86.836 62.163 4.303 1.00 1.00 ATOM 339 CA VAL 141 88.097 64.460 1.536 1.00 1.00 ATOM 340 CA GLU 142 91.645 63.546 2.391 1.00 1.00 ATOM 341 CA SER 143 91.054 59.790 2.380 1.00 1.00 ATOM 342 CA VAL 144 89.572 59.747 -1.128 1.00 1.00 ATOM 343 CA LYS 145 89.926 61.015 -4.685 1.00 1.00 ATOM 345 CA LYS 150 83.838 63.354 -5.576 1.00 1.00 ATOM 346 CA ILE 152 82.002 63.753 -2.284 1.00 1.00 ATOM 347 CA ILE 153 78.314 64.619 -2.115 1.00 1.00 ATOM 348 CA GLU 154 76.582 65.264 1.221 1.00 1.00 ATOM 349 CA THR 155 73.226 63.578 0.737 1.00 1.00 ATOM 350 CA CYS 156 70.397 64.945 2.866 1.00 1.00 ATOM 351 CA TYR 157 70.776 68.721 3.168 1.00 1.00 ATOM 352 CA LEU 158 67.533 70.466 4.235 1.00 1.00 ATOM 353 CA ASP 159 68.469 74.141 4.440 1.00 1.00 ATOM 354 CA THR 160 70.285 76.757 2.331 1.00 1.00 ATOM 355 CA GLU 161 72.612 77.412 5.249 1.00 1.00 ATOM 356 CA GLU 162 74.066 73.885 4.980 1.00 1.00 ATOM 357 CA LYS 163 74.382 74.034 1.193 1.00 1.00 ATOM 358 CA ILE 164 76.595 77.036 1.807 1.00 1.00 ATOM 359 CA ALA 165 78.574 75.177 4.503 1.00 1.00 ATOM 360 CA ALA 166 79.076 72.298 2.069 1.00 1.00 ATOM 361 CA CYS 167 80.534 74.704 -0.457 1.00 1.00 ATOM 362 CA VAL 168 82.730 76.138 2.288 1.00 1.00 ATOM 363 CA ILE 169 84.384 72.798 3.143 1.00 1.00 ATOM 364 CA GLY 174 84.686 72.320 -0.595 1.00 1.00 ATOM 365 CA ALA 175 82.789 69.096 -1.313 1.00 1.00 ATOM 366 CA HIS 176 81.832 68.162 -4.891 1.00 1.00 ATOM 368 CA PHE 177 75.048 68.269 -2.334 1.00 1.00 ATOM 369 CA VAL 178 71.693 66.524 -2.503 1.00 1.00 ATOM 370 CA LYS 179 68.762 68.601 -1.323 1.00 1.00 ATOM 371 CA THR 180 66.833 65.708 0.216 1.00 1.00 ATOM 372 CA SER 181 64.966 64.591 3.299 1.00 1.00 ATOM 373 CA THR 182 65.446 60.842 2.721 1.00 1.00 ATOM 374 CA GLY 183 62.170 60.451 0.818 1.00 1.00 ATOM 375 CA PHE 184 60.299 61.568 3.923 1.00 1.00 ATOM 379 CA GLY 185 58.556 64.768 9.203 1.00 1.00 ATOM 380 CA THR 186 57.781 68.410 8.420 1.00 1.00 ATOM 381 CA GLY 187 61.031 68.880 6.567 1.00 1.00 ATOM 382 CA GLY 188 60.346 70.995 3.467 1.00 1.00 ATOM 383 CA ALA 189 60.029 69.587 -0.024 1.00 1.00 ATOM 384 CA THR 190 63.520 69.599 -1.614 1.00 1.00 ATOM 385 CA ALA 191 62.217 71.380 -4.744 1.00 1.00 ATOM 386 CA GLU 192 61.012 74.126 -2.412 1.00 1.00 ATOM 387 CA ASP 193 64.482 74.410 -0.906 1.00 1.00 ATOM 388 CA VAL 194 66.075 74.236 -4.357 1.00 1.00 ATOM 389 CA HIS 195 64.131 77.321 -5.438 1.00 1.00 ATOM 390 CA LEU 196 65.416 79.170 -2.360 1.00 1.00 ATOM 391 CA MET 197 69.035 77.989 -2.567 1.00 1.00 ATOM 392 CA LYS 198 70.245 78.390 -6.201 1.00 1.00 ATOM 393 CA TRP 199 69.672 82.185 -6.356 1.00 1.00 ATOM 394 CA ILE 200 71.851 82.520 -3.261 1.00 1.00 ATOM 395 CA VAL 201 74.450 80.191 -4.761 1.00 1.00 ATOM 396 CA GLY 202 74.297 82.395 -7.877 1.00 1.00 ATOM 397 CA ASP 203 74.689 85.633 -5.937 1.00 1.00 ATOM 398 CA GLU 204 77.923 84.115 -4.572 1.00 1.00 ATOM 404 CA MET 205 78.731 73.023 -6.101 1.00 1.00 ATOM 405 CA GLY 206 76.564 70.415 -7.815 1.00 1.00 ATOM 406 CA VAL 207 73.093 70.549 -6.299 1.00 1.00 ATOM 407 CA LYS 208 71.074 67.359 -6.744 1.00 1.00 ATOM 408 CA ALA 209 67.512 66.957 -5.511 1.00 1.00 ATOM 409 CA SER 210 65.290 63.958 -4.826 1.00 1.00 ATOM 410 CA GLY 211 61.998 62.830 -3.302 1.00 1.00 ATOM 411 CA GLY 212 58.487 62.800 -4.744 1.00 1.00 ATOM 412 CA ILE 213 59.605 62.761 -8.398 1.00 1.00 ATOM 413 CA ARG 214 57.193 60.672 -10.474 1.00 1.00 ATOM 414 CA THR 215 57.035 62.453 -13.822 1.00 1.00 ATOM 415 CA PHE 216 59.324 63.973 -16.442 1.00 1.00 ATOM 416 CA GLU 217 57.663 67.324 -15.765 1.00 1.00 ATOM 417 CA ASP 218 58.842 67.013 -12.119 1.00 1.00 ATOM 418 CA ALA 219 62.392 66.405 -13.324 1.00 1.00 ATOM 419 CA VAL 220 62.062 69.393 -15.697 1.00 1.00 ATOM 420 CA LYS 221 61.048 71.785 -12.911 1.00 1.00 ATOM 421 CA MET 222 64.016 70.780 -10.747 1.00 1.00 ATOM 422 CA ILE 223 66.361 71.039 -13.766 1.00 1.00 ATOM 423 CA MET 224 64.856 74.431 -14.527 1.00 1.00 ATOM 424 CA TYR 225 65.575 75.650 -10.994 1.00 1.00 ATOM 425 CA GLY 226 69.199 74.576 -11.225 1.00 1.00 ATOM 426 CA ALA 227 69.485 70.940 -10.132 1.00 1.00 ATOM 427 CA ASP 228 72.366 69.107 -11.810 1.00 1.00 ATOM 433 CA ARG 229 60.764 54.265 -4.780 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 13:15:19 2002 Date: Tue, 20 Aug 2002 13:15:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0183 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 20 12:47:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_610983_29096 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0183TS189_5 Current information on models submitted in prediction T0183TS189 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_5 PIN_610983_29096 5035-2079-5263 08/20/02 12:47:18 casp5@bialko.llnl.gov T0183TS189_3 PIN_604881_29095 5035-2079-5263 08/20/02 12:46:59 casp5@bialko.llnl.gov T0183TS189_2 PIN_607603_29094 5035-2079-5263 08/20/02 12:46:40 casp5@bialko.llnl.gov T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 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 T0183 MODEL_INDEX PIN CODE DATE E-mail T0183TS189_1 PIN_584395_29086 5035-2079-5263 08/20/02 12:44:08 casp5@bialko.llnl.gov T0183TS189_2 PIN_607603_29094 5035-2079-5263 08/20/02 12:46:40 casp5@bialko.llnl.gov T0183TS189_3 PIN_604881_29095 5035-2079-5263 08/20/02 12:46:59 casp5@bialko.llnl.gov T0183TS189_4 PIN_552365_29078 5035-2079-5263 08/20/02 12:41:32 casp5@bialko.llnl.gov T0183TS189_5 PIN_610983_29096 5035-2079-5263 08/20/02 12:47:18 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 T0183 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1GTH_C # Loading PARENT structure: 1gth (chain: C) # Number of residues in PARENT structure: 1015 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue C 69 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue R 75 # IMPORTANT NOTE! Not complete main chain atoms for residue E 76 # IMPORTANT NOTE! Not complete main chain atoms for residue E 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue K 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue N 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue T 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue F 107 # IMPORTANT NOTE! Not complete main chain atoms for residue A 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue S 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue D 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue I 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue M 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue I 120 # IMPORTANT NOTE! Not complete main chain atoms for residue N 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue M 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue K 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue W 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 134 # IMPORTANT NOTE! Not complete main chain atoms for residue E 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue I 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue V 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue V 144 # IMPORTANT NOTE! Not complete main chain atoms for residue K 145 # IMPORTANT NOTE! Not complete main chain atoms for residue G 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue V 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 155 # IMPORTANT NOTE! Not complete main chain atoms for residue C 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue L 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue A 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue C 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue A 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue F 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue K 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue E 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue V 194 # IMPORTANT NOTE! Not complete main chain atoms for residue H 195 # IMPORTANT NOTE! Not complete main chain atoms for residue L 196 # IMPORTANT NOTE! Not complete main chain atoms for residue M 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue W 199 # IMPORTANT NOTE! Not complete main chain atoms for residue I 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue E 204 # IMPORTANT NOTE! Not complete main chain atoms for residue M 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue A 209 # IMPORTANT NOTE! Not complete main chain atoms for residue S 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue I 213 # IMPORTANT NOTE! Not complete main chain atoms for residue R 214 # IMPORTANT NOTE! Not complete main chain atoms for residue T 215 # IMPORTANT NOTE! Not complete main chain atoms for residue F 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue A 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue I 223 # IMPORTANT NOTE! Not complete main chain atoms for residue M 224 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 225 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue A 227 # IMPORTANT NOTE! Not complete main chain atoms for residue D 228 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0183 # Total number of residues in target: 248 # Total number of residues in model: 142 # Total number of atoms in model: 142 # Number of atoms with 1.0 occupancy: 142 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 142 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0183 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1GTH_C ATOM 620 CA CYS 69 11.526 100.683 -32.054 1.00 1.00 ATOM 621 CA TYR 70 13.486 103.692 -33.281 1.00 1.00 ATOM 622 CA VAL 71 11.004 104.772 -35.916 1.00 1.00 ATOM 623 CA LYS 72 8.055 104.566 -33.514 1.00 1.00 ATOM 624 CA LEU 73 10.193 106.405 -30.958 1.00 1.00 ATOM 625 CA ALA 74 10.961 109.217 -33.405 1.00 1.00 ATOM 626 CA ARG 75 7.267 109.690 -34.147 1.00 1.00 ATOM 627 CA GLU 76 6.573 109.923 -30.409 1.00 1.00 ATOM 628 CA GLU 77 9.444 112.333 -29.743 1.00 1.00 ATOM 629 CA LEU 78 8.567 114.630 -32.653 1.00 1.00 ATOM 630 CA GLU 79 4.927 114.630 -31.587 1.00 1.00 ATOM 631 CA GLY 80 5.841 115.688 -28.040 1.00 1.00 ATOM 632 CA THR 81 8.788 117.955 -28.875 1.00 1.00 ATOM 633 CA ASP 82 8.054 119.703 -32.217 1.00 1.00 ATOM 636 CA VAL 83 15.413 118.478 -33.698 1.00 1.00 ATOM 637 CA LYS 84 15.575 114.676 -33.960 1.00 1.00 ATOM 638 CA VAL 85 18.099 113.231 -36.382 1.00 1.00 ATOM 639 CA VAL 86 17.932 109.522 -37.191 1.00 1.00 ATOM 640 CA THR 87 21.334 107.835 -37.471 1.00 1.00 ATOM 641 CA VAL 88 21.292 104.878 -39.859 1.00 1.00 ATOM 644 CA ALA 95 26.166 97.721 -46.076 1.00 1.00 ATOM 645 CA ASN 96 27.182 98.939 -49.541 1.00 1.00 ATOM 646 CA GLU 97 23.741 98.175 -50.982 1.00 1.00 ATOM 647 CA THR 98 21.498 100.672 -52.786 1.00 1.00 ATOM 648 CA ARG 99 18.155 99.063 -51.955 1.00 1.00 ATOM 649 CA THR 100 19.062 98.829 -48.261 1.00 1.00 ATOM 650 CA LYS 101 20.091 102.461 -47.929 1.00 1.00 ATOM 651 CA ALA 102 16.951 103.601 -49.741 1.00 1.00 ATOM 652 CA HIS 103 14.709 101.322 -47.684 1.00 1.00 ATOM 653 CA GLU 104 16.101 102.359 -44.295 1.00 1.00 ATOM 654 CA ALA 105 16.384 106.056 -45.121 1.00 1.00 ATOM 655 CA ILE 106 12.756 106.108 -46.296 1.00 1.00 ATOM 656 CA PHE 107 11.566 104.208 -43.213 1.00 1.00 ATOM 657 CA ALA 108 13.354 106.769 -41.046 1.00 1.00 ATOM 658 CA VAL 109 12.012 109.720 -43.046 1.00 1.00 ATOM 659 CA GLU 110 8.460 108.375 -42.759 1.00 1.00 ATOM 660 CA SER 111 8.673 108.243 -38.954 1.00 1.00 ATOM 661 CA GLY 112 8.954 112.020 -38.908 1.00 1.00 ATOM 662 CA ALA 113 12.692 112.511 -38.434 1.00 1.00 ATOM 663 CA ASP 114 13.852 116.076 -39.160 1.00 1.00 ATOM 664 CA GLU 115 16.928 114.706 -40.908 1.00 1.00 ATOM 665 CA ILE 116 19.179 111.679 -41.208 1.00 1.00 ATOM 666 CA ASP 117 22.804 111.029 -40.333 1.00 1.00 ATOM 667 CA MET 118 24.599 108.403 -42.396 1.00 1.00 ATOM 668 CA VAL 119 26.981 106.438 -40.196 1.00 1.00 ATOM 669 CA ILE 120 29.904 105.812 -42.533 1.00 1.00 ATOM 670 CA ASN 121 32.508 105.947 -39.776 1.00 1.00 ATOM 680 CA VAL 122 29.531 98.621 -43.336 1.00 1.00 ATOM 681 CA GLY 123 30.526 101.660 -41.320 1.00 1.00 ATOM 682 CA MET 124 34.130 102.797 -41.748 1.00 1.00 ATOM 683 CA LEU 125 34.935 100.386 -44.639 1.00 1.00 ATOM 684 CA LYS 126 32.659 102.590 -46.749 1.00 1.00 ATOM 685 CA ALA 127 33.660 105.897 -45.155 1.00 1.00 ATOM 686 CA LYS 128 37.303 105.902 -46.207 1.00 1.00 ATOM 687 CA GLU 129 36.702 105.771 -49.959 1.00 1.00 ATOM 688 CA TRP 130 35.442 108.991 -51.623 1.00 1.00 ATOM 689 CA GLU 131 33.783 106.947 -54.371 1.00 1.00 ATOM 690 CA TYR 132 31.709 104.809 -52.017 1.00 1.00 ATOM 691 CA VAL 133 30.795 107.828 -49.896 1.00 1.00 ATOM 692 CA TYR 134 29.585 109.676 -52.982 1.00 1.00 ATOM 693 CA GLU 135 27.433 106.765 -54.165 1.00 1.00 ATOM 694 CA ASP 136 25.816 106.139 -50.779 1.00 1.00 ATOM 695 CA ILE 137 24.880 109.816 -50.508 1.00 1.00 ATOM 696 CA ARG 138 23.447 109.643 -54.043 1.00 1.00 ATOM 697 CA SER 139 21.280 106.657 -53.150 1.00 1.00 ATOM 698 CA VAL 140 19.930 108.452 -50.082 1.00 1.00 ATOM 699 CA VAL 141 19.466 111.780 -51.873 1.00 1.00 ATOM 700 CA GLU 142 17.136 110.152 -54.386 1.00 1.00 ATOM 701 CA SER 143 15.307 108.150 -51.717 1.00 1.00 ATOM 702 CA VAL 144 14.286 110.961 -49.346 1.00 1.00 ATOM 703 CA LYS 145 13.442 114.677 -49.367 1.00 1.00 ATOM 705 CA GLY 146 18.058 116.794 -45.293 1.00 1.00 ATOM 706 CA LYS 147 20.759 114.284 -44.375 1.00 1.00 ATOM 707 CA VAL 148 24.357 114.417 -43.220 1.00 1.00 ATOM 708 CA VAL 149 27.259 112.032 -43.690 1.00 1.00 ATOM 709 CA LYS 150 29.158 111.283 -40.488 1.00 1.00 ATOM 710 CA VAL 151 32.842 111.249 -41.379 1.00 1.00 ATOM 711 CA THR 155 35.684 109.279 -39.828 1.00 1.00 ATOM 712 CA CYS 156 38.874 111.090 -38.794 1.00 1.00 ATOM 713 CA TYR 157 40.843 107.936 -39.596 1.00 1.00 ATOM 714 CA LEU 158 41.728 108.944 -43.154 1.00 1.00 ATOM 715 CA GLU 161 44.616 110.658 -44.886 1.00 1.00 ATOM 716 CA GLU 162 42.406 113.449 -46.274 1.00 1.00 ATOM 717 CA LYS 163 39.024 114.041 -44.632 1.00 1.00 ATOM 718 CA ILE 164 38.276 116.837 -47.106 1.00 1.00 ATOM 719 CA ALA 165 38.161 114.332 -49.970 1.00 1.00 ATOM 720 CA ALA 166 35.369 112.346 -48.304 1.00 1.00 ATOM 721 CA CYS 167 33.529 115.486 -47.173 1.00 1.00 ATOM 722 CA VAL 168 33.660 116.721 -50.764 1.00 1.00 ATOM 723 CA ILE 169 32.446 113.343 -52.026 1.00 1.00 ATOM 724 CA SER 170 29.464 113.630 -49.681 1.00 1.00 ATOM 725 CA LYS 171 28.643 117.100 -50.973 1.00 1.00 ATOM 726 CA LEU 172 28.901 115.871 -54.569 1.00 1.00 ATOM 727 CA ALA 173 26.635 112.957 -53.700 1.00 1.00 ATOM 728 CA GLY 174 23.941 115.358 -52.529 1.00 1.00 ATOM 729 CA ALA 175 24.504 115.446 -48.765 1.00 1.00 ATOM 730 CA HIS 176 23.197 118.556 -46.990 1.00 1.00 ATOM 731 CA PHE 177 26.235 118.618 -44.747 1.00 1.00 ATOM 732 CA VAL 178 28.687 116.502 -42.795 1.00 1.00 ATOM 733 CA LYS 179 29.206 115.520 -39.182 1.00 1.00 ATOM 734 CA THR 180 32.872 115.762 -38.193 1.00 1.00 ATOM 735 CA SER 181 33.931 113.541 -36.662 1.00 1.00 ATOM 736 CA THR 182 33.405 109.990 -35.388 1.00 1.00 ATOM 737 CA PHE 184 35.850 108.338 -32.963 1.00 1.00 ATOM 772 CA ALA 191 42.583 118.710 -31.538 1.00 1.00 ATOM 773 CA GLU 192 41.884 116.169 -34.293 1.00 1.00 ATOM 774 CA ASP 193 38.223 117.159 -34.545 1.00 1.00 ATOM 775 CA VAL 194 38.993 120.890 -34.558 1.00 1.00 ATOM 776 CA HIS 195 41.479 120.440 -37.383 1.00 1.00 ATOM 777 CA LEU 196 38.947 118.356 -39.317 1.00 1.00 ATOM 778 CA MET 197 36.196 120.939 -38.885 1.00 1.00 ATOM 779 CA LYS 198 38.435 123.877 -39.833 1.00 1.00 ATOM 780 CA TRP 199 39.943 122.195 -42.904 1.00 1.00 ATOM 781 CA ILE 200 36.518 121.139 -44.212 1.00 1.00 ATOM 782 CA VAL 201 35.154 124.624 -43.497 1.00 1.00 ATOM 783 CA GLY 202 37.968 126.269 -45.455 1.00 1.00 ATOM 784 CA ASP 203 37.824 123.837 -48.373 1.00 1.00 ATOM 785 CA GLU 204 34.024 123.798 -48.683 1.00 1.00 ATOM 788 CA MET 205 28.763 123.585 -46.395 1.00 1.00 ATOM 789 CA GLY 206 26.952 122.749 -43.098 1.00 1.00 ATOM 790 CA VAL 207 29.076 121.035 -40.457 1.00 1.00 ATOM 791 CA LYS 208 27.842 119.340 -37.300 1.00 1.00 ATOM 792 CA ALA 209 30.827 119.183 -34.953 1.00 1.00 ATOM 793 CA SER 210 31.607 116.309 -32.597 1.00 1.00 ATOM 794 CA GLY 211 34.761 115.520 -30.660 1.00 1.00 ATOM 795 CA GLY 212 35.637 116.749 -27.195 1.00 1.00 ATOM 796 CA ILE 213 32.948 119.398 -26.779 1.00 1.00 ATOM 797 CA ARG 214 32.415 119.751 -23.027 1.00 1.00 ATOM 798 CA THR 215 31.490 123.389 -22.417 1.00 1.00 ATOM 799 CA PHE 216 30.104 126.580 -23.970 1.00 1.00 ATOM 800 CA GLU 217 33.690 127.782 -24.373 1.00 1.00 ATOM 801 CA ASP 218 34.890 124.722 -26.306 1.00 1.00 ATOM 802 CA ALA 219 31.621 124.713 -28.209 1.00 1.00 ATOM 803 CA VAL 220 32.270 128.306 -29.292 1.00 1.00 ATOM 804 CA LYS 221 35.668 127.187 -30.605 1.00 1.00 ATOM 805 CA MET 222 33.966 124.767 -33.006 1.00 1.00 ATOM 806 CA ILE 223 31.431 127.439 -34.075 1.00 1.00 ATOM 807 CA MET 224 34.299 129.837 -34.765 1.00 1.00 ATOM 808 CA TYR 225 35.919 126.991 -36.722 1.00 1.00 ATOM 809 CA GLY 226 32.977 126.611 -39.114 1.00 1.00 ATOM 810 CA ALA 227 30.487 124.341 -37.362 1.00 1.00 ATOM 811 CA ASP 228 26.830 125.357 -37.016 1.00 1.00 TER END ################################ # # # END # # # ################################