From mailer@bialko.llnl.gov Mon Aug 12 21:11:08 2002 Date: Mon, 12 Aug 2002 21:11:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 12 20:43:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_557277_21223 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178SS389_1 Current information on models submitted in prediction T0178SS389 MODEL_INDEX PIN CODE DATE E-mail T0178SS389_1 PIN_557277_21223 1549-8716-6404 08/12/02 20:43:07 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 T0178 MODEL_INDEX PIN CODE DATE E-mail T0178SS389_1 PIN_557277_21223 1549-8716-6404 08/12/02 20:43:07 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 T0178 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: 219 # Number of residues with nonzero confidence: 219 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0178 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0178.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0178.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0178.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 T0178.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0178 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 T0178.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 T0178.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0178 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 T0178.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 T0178.t2k.str.rdb METHOD ============================================ METHOD TARGET T0178 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 T0178.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 0.82 I H 0.63 D H 0.69 V H 0.85 R H 0.88 K H 0.88 Y H 0.88 I H 0.83 D H 0.77 N H 0.71 A H 0.50 A C 0.68 L C 0.83 K C 0.91 P C 0.83 H C 0.88 L C 0.91 S C 0.95 E H 0.94 K H 0.96 E H 0.97 I H 0.98 E H 0.98 E H 0.97 F H 0.97 V H 0.97 L H 0.97 K H 0.96 S H 0.95 E H 0.91 E H 0.75 L C 0.65 G C 0.96 I C 0.87 Y E 0.62 A E 0.93 V E 0.96 C E 0.94 V E 0.73 N C 0.81 P C 0.58 Y H 0.58 H H 0.72 V H 0.86 K H 0.95 L H 0.96 A H 0.97 S H 0.96 S H 0.93 I H 0.85 A H 0.63 K C 0.64 K C 0.88 V C 0.80 K E 0.56 V E 0.93 C E 0.93 C E 0.89 V E 0.82 I E 0.51 G C 0.75 F C 0.84 P C 0.83 L C 0.87 G C 0.90 L C 0.86 N C 0.80 K C 0.48 T H 0.81 S H 0.93 V H 0.94 K H 0.96 V H 0.97 K H 0.97 E H 0.97 A H 0.97 V H 0.97 E H 0.97 A H 0.96 V H 0.93 R H 0.83 D C 0.62 G C 0.89 A C 0.90 Q C 0.72 E E 0.57 L E 0.70 D E 0.78 I E 0.88 V E 0.77 W E 0.62 N C 0.63 L H 0.70 S H 0.80 A H 0.87 F H 0.84 K H 0.71 S C 0.58 E C 0.88 K C 0.75 Y H 0.91 D H 0.95 F H 0.95 V H 0.96 V H 0.97 E H 0.97 E H 0.97 L H 0.98 K H 0.98 E H 0.97 I H 0.97 F H 0.97 R H 0.95 E H 0.90 T H 0.55 P C 0.83 S C 0.93 A C 0.77 V E 0.63 H E 0.92 K E 0.95 V E 0.95 I E 0.92 V E 0.82 E E 0.63 T C 0.49 P C 0.58 Y C 0.62 L C 0.83 N C 0.93 E H 0.95 E H 0.97 E H 0.97 I H 0.98 K H 0.98 K H 0.97 A H 0.98 V H 0.98 E H 0.98 I H 0.98 C H 0.98 I H 0.97 E H 0.94 A H 0.59 G C 0.94 A C 0.96 D C 0.81 F E 0.64 I E 0.72 K E 0.70 T C 0.55 S C 0.78 T C 0.83 G C 0.89 F C 0.84 A C 0.82 P C 0.86 R C 0.90 G C 0.93 T C 0.92 T C 0.87 L H 0.96 E H 0.97 E H 0.98 V H 0.98 R H 0.98 L H 0.98 I H 0.98 K H 0.97 S H 0.97 S H 0.93 A H 0.76 K H 0.49 G C 0.62 R C 0.74 I C 0.77 K C 0.75 V E 0.55 K E 0.64 A E 0.48 S C 0.71 G C 0.83 G C 0.81 I C 0.72 R C 0.79 D C 0.89 L H 0.94 E H 0.97 T H 0.97 A H 0.98 I H 0.98 S H 0.98 M H 0.97 I H 0.97 E H 0.96 A H 0.90 G H 0.85 A H 0.82 D H 0.85 R H 0.82 I H 0.65 G C 0.53 T H 0.49 S H 0.60 S H 0.75 G H 0.88 I H 0.95 S H 0.96 I H 0.96 A H 0.94 E H 0.83 E H 0.62 F C 0.55 L C 0.67 K C 0.78 R C 0.79 H C 0.77 L C 0.85 I C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 01:41:08 2002 Date: Tue, 20 Aug 2002 01:41:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 01:13:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_273144_28548 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS189_1 Current information on models submitted in prediction T0178TS189 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0178 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 I 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue K 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 202 # Total number of atoms in model: 202 # Number of atoms with 1.0 occupancy: 202 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 202 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1JCJ_A ATOM 9 CA ILE 2 44.780 1.545 9.001 1.00 1.00 ATOM 10 CA ASP 3 42.101 4.053 7.937 1.00 1.00 ATOM 11 CA VAL 4 39.504 2.299 9.993 1.00 1.00 ATOM 12 CA ARG 5 41.767 2.261 13.054 1.00 1.00 ATOM 13 CA LYS 6 42.344 6.000 12.838 1.00 1.00 ATOM 14 CA TYR 7 38.613 6.554 12.441 1.00 1.00 ATOM 15 CA ILE 8 37.551 4.355 15.330 1.00 1.00 ATOM 16 CA ASP 9 35.331 5.364 18.258 1.00 1.00 ATOM 17 CA ASN 10 36.730 2.601 20.489 1.00 1.00 ATOM 18 CA ALA 11 33.813 1.645 22.726 1.00 1.00 ATOM 19 CA ALA 12 32.901 0.045 26.026 1.00 1.00 ATOM 20 CA LEU 13 29.197 0.326 26.994 1.00 1.00 ATOM 21 CA LYS 14 28.516 -2.533 29.421 1.00 1.00 ATOM 22 CA PRO 15 26.476 -2.773 32.627 1.00 1.00 ATOM 23 CA HIS 16 29.532 -4.082 34.434 1.00 1.00 ATOM 24 CA LEU 17 31.934 -1.432 33.292 1.00 1.00 ATOM 25 CA SER 18 34.326 -0.015 35.848 1.00 1.00 ATOM 26 CA GLU 19 37.087 2.557 36.020 1.00 1.00 ATOM 27 CA LYS 20 39.675 -0.201 35.541 1.00 1.00 ATOM 28 CA GLU 21 38.040 -1.369 32.286 1.00 1.00 ATOM 29 CA ILE 22 37.823 2.208 31.002 1.00 1.00 ATOM 30 CA GLU 23 41.506 2.835 31.857 1.00 1.00 ATOM 31 CA GLU 24 42.402 -0.343 29.936 1.00 1.00 ATOM 32 CA PHE 25 40.293 0.910 26.975 1.00 1.00 ATOM 33 CA VAL 26 42.209 4.172 26.977 1.00 1.00 ATOM 34 CA LEU 27 45.491 2.293 26.823 1.00 1.00 ATOM 35 CA LYS 28 44.113 0.133 23.946 1.00 1.00 ATOM 36 CA SER 29 43.308 3.317 21.977 1.00 1.00 ATOM 37 CA GLU 30 47.003 4.183 21.836 1.00 1.00 ATOM 38 CA GLU 31 48.206 1.560 19.330 1.00 1.00 ATOM 39 CA LEU 32 51.649 0.952 17.767 1.00 1.00 ATOM 42 CA GLY 33 45.647 6.416 17.958 1.00 1.00 ATOM 43 CA ILE 34 41.941 5.823 17.468 1.00 1.00 ATOM 44 CA TYR 35 39.890 8.934 16.804 1.00 1.00 ATOM 45 CA ALA 36 37.915 8.625 20.001 1.00 1.00 ATOM 46 CA VAL 37 36.682 6.455 22.784 1.00 1.00 ATOM 47 CA CYS 38 32.989 5.974 23.577 1.00 1.00 ATOM 48 CA VAL 39 32.060 5.304 27.210 1.00 1.00 ATOM 49 CA ASN 40 29.204 5.944 29.621 1.00 1.00 ATOM 50 CA PRO 41 29.207 9.530 30.925 1.00 1.00 ATOM 51 CA TYR 42 30.269 8.750 34.487 1.00 1.00 ATOM 52 CA HIS 43 33.606 7.439 33.207 1.00 1.00 ATOM 53 CA VAL 44 34.537 10.627 31.303 1.00 1.00 ATOM 54 CA LYS 45 36.655 12.277 34.023 1.00 1.00 ATOM 55 CA LEU 46 38.800 9.195 34.666 1.00 1.00 ATOM 56 CA ALA 47 39.160 8.580 30.912 1.00 1.00 ATOM 57 CA SER 48 40.284 12.198 30.380 1.00 1.00 ATOM 58 CA SER 49 42.905 11.840 33.089 1.00 1.00 ATOM 59 CA ILE 50 44.134 8.538 31.660 1.00 1.00 ATOM 60 CA ALA 51 44.366 9.833 28.102 1.00 1.00 ATOM 61 CA LYS 52 46.293 12.872 29.324 1.00 1.00 ATOM 62 CA LYS 53 48.768 10.844 31.347 1.00 1.00 ATOM 68 CA VAL 54 41.816 11.189 21.480 1.00 1.00 ATOM 69 CA LYS 55 38.277 12.479 21.738 1.00 1.00 ATOM 70 CA VAL 56 35.822 11.336 24.381 1.00 1.00 ATOM 71 CA CYS 57 32.363 10.422 23.129 1.00 1.00 ATOM 72 CA CYS 58 29.476 9.245 25.206 1.00 1.00 ATOM 73 CA VAL 59 25.838 8.236 24.825 1.00 1.00 ATOM 74 CA ILE 60 22.555 9.754 25.943 1.00 1.00 ATOM 75 CA GLY 61 18.899 8.773 25.697 1.00 1.00 ATOM 76 CA PHE 62 20.519 5.347 25.492 1.00 1.00 ATOM 77 CA PRO 63 19.854 2.691 24.389 1.00 1.00 ATOM 78 CA LEU 64 16.090 2.952 24.355 1.00 1.00 ATOM 79 CA GLY 65 15.484 6.143 22.379 1.00 1.00 ATOM 80 CA LEU 66 12.571 7.286 24.508 1.00 1.00 ATOM 81 CA ASN 67 10.632 10.372 23.487 1.00 1.00 ATOM 82 CA LYS 68 11.004 12.407 26.718 1.00 1.00 ATOM 83 CA THR 69 12.928 15.459 25.616 1.00 1.00 ATOM 84 CA SER 70 13.512 16.774 29.117 1.00 1.00 ATOM 85 CA VAL 71 15.285 13.557 30.125 1.00 1.00 ATOM 86 CA LYS 72 17.395 13.350 26.994 1.00 1.00 ATOM 87 CA VAL 73 18.380 16.984 27.406 1.00 1.00 ATOM 88 CA LYS 74 19.274 16.595 31.076 1.00 1.00 ATOM 89 CA GLU 75 21.458 13.601 30.211 1.00 1.00 ATOM 90 CA ALA 76 23.115 15.593 27.422 1.00 1.00 ATOM 91 CA VAL 77 23.753 18.537 29.728 1.00 1.00 ATOM 92 CA GLU 78 25.305 16.149 32.240 1.00 1.00 ATOM 93 CA ALA 79 27.511 14.573 29.565 1.00 1.00 ATOM 94 CA VAL 80 28.737 18.049 28.651 1.00 1.00 ATOM 95 CA ARG 81 29.390 18.858 32.320 1.00 1.00 ATOM 96 CA ASP 82 31.354 15.664 32.816 1.00 1.00 ATOM 97 CA GLY 83 33.594 16.847 29.962 1.00 1.00 ATOM 98 CA ALA 84 32.407 15.000 26.835 1.00 1.00 ATOM 99 CA GLN 85 33.811 16.082 23.502 1.00 1.00 ATOM 100 CA GLU 86 30.959 14.350 21.630 1.00 1.00 ATOM 101 CA LEU 87 27.499 13.080 22.541 1.00 1.00 ATOM 102 CA ASP 88 25.760 10.228 20.670 1.00 1.00 ATOM 103 CA ILE 89 22.036 10.628 21.363 1.00 1.00 ATOM 104 CA VAL 90 19.430 8.017 20.463 1.00 1.00 ATOM 105 CA TRP 91 16.688 9.334 18.192 1.00 1.00 ATOM 106 CA ASN 92 13.081 8.605 19.351 1.00 1.00 ATOM 107 CA LEU 93 12.646 6.004 16.644 1.00 1.00 ATOM 108 CA SER 94 9.579 4.299 18.117 1.00 1.00 ATOM 109 CA ALA 95 7.786 7.630 18.098 1.00 1.00 ATOM 110 CA PHE 96 8.628 8.095 14.428 1.00 1.00 ATOM 111 CA LYS 97 7.398 4.540 13.700 1.00 1.00 ATOM 112 CA SER 98 4.135 5.591 15.371 1.00 1.00 ATOM 113 CA GLU 99 3.888 8.605 13.050 1.00 1.00 ATOM 114 CA LYS 100 5.410 11.371 15.208 1.00 1.00 ATOM 115 CA TYR 101 8.097 13.173 13.223 1.00 1.00 ATOM 116 CA ASP 102 8.050 16.294 15.350 1.00 1.00 ATOM 117 CA PHE 103 9.328 14.845 18.628 1.00 1.00 ATOM 118 CA VAL 104 12.531 13.559 17.011 1.00 1.00 ATOM 119 CA VAL 105 13.145 16.979 15.471 1.00 1.00 ATOM 120 CA GLU 106 12.543 18.708 18.791 1.00 1.00 ATOM 121 CA GLU 107 14.682 16.212 20.747 1.00 1.00 ATOM 122 CA LEU 108 17.678 16.398 18.421 1.00 1.00 ATOM 123 CA LYS 109 17.384 20.223 18.164 1.00 1.00 ATOM 124 CA GLU 110 17.356 20.636 21.973 1.00 1.00 ATOM 125 CA ILE 111 20.392 18.426 22.371 1.00 1.00 ATOM 126 CA PHE 112 22.191 20.142 19.478 1.00 1.00 ATOM 127 CA ARG 113 21.672 23.533 21.025 1.00 1.00 ATOM 128 CA GLU 114 23.276 22.440 24.310 1.00 1.00 ATOM 129 CA THR 115 26.131 20.736 22.518 1.00 1.00 ATOM 130 CA PRO 116 26.834 23.600 20.144 1.00 1.00 ATOM 133 CA SER 117 31.634 23.151 21.391 1.00 1.00 ATOM 134 CA ALA 118 30.539 19.492 21.609 1.00 1.00 ATOM 135 CA VAL 119 29.650 17.479 18.505 1.00 1.00 ATOM 136 CA HIS 120 26.300 15.712 18.362 1.00 1.00 ATOM 137 CA LYS 121 25.870 12.329 16.770 1.00 1.00 ATOM 138 CA VAL 122 22.358 10.913 16.355 1.00 1.00 ATOM 139 CA ILE 123 21.722 7.168 16.559 1.00 1.00 ATOM 140 CA VAL 124 18.651 6.334 14.486 1.00 1.00 ATOM 141 CA GLU 125 18.521 2.559 15.178 1.00 1.00 ATOM 142 CA THR 126 18.239 1.276 11.634 1.00 1.00 ATOM 143 CA PRO 127 17.677 -2.297 12.777 1.00 1.00 ATOM 144 CA TYR 128 14.506 -1.322 14.550 1.00 1.00 ATOM 145 CA LEU 129 13.256 1.157 11.942 1.00 1.00 ATOM 146 CA ASN 130 13.851 -1.494 9.273 1.00 1.00 ATOM 147 CA GLU 131 12.092 0.120 6.348 1.00 1.00 ATOM 148 CA GLU 132 14.109 2.250 3.938 1.00 1.00 ATOM 149 CA GLU 133 11.619 5.106 4.056 1.00 1.00 ATOM 151 CA ILE 134 15.645 5.141 7.805 1.00 1.00 ATOM 152 CA LYS 135 15.653 7.993 5.328 1.00 1.00 ATOM 153 CA LYS 136 13.114 10.014 7.315 1.00 1.00 ATOM 154 CA ALA 137 14.913 9.596 10.640 1.00 1.00 ATOM 155 CA VAL 138 18.157 10.605 8.936 1.00 1.00 ATOM 156 CA GLU 139 16.555 13.634 7.308 1.00 1.00 ATOM 157 CA ILE 140 14.880 14.841 10.502 1.00 1.00 ATOM 158 CA CYS 141 18.100 14.445 12.425 1.00 1.00 ATOM 159 CA ILE 142 20.067 16.426 9.839 1.00 1.00 ATOM 160 CA GLU 143 17.477 19.184 9.719 1.00 1.00 ATOM 161 CA ALA 144 17.573 19.387 13.530 1.00 1.00 ATOM 162 CA GLY 145 21.358 19.848 13.456 1.00 1.00 ATOM 163 CA ALA 146 23.015 16.422 13.763 1.00 1.00 ATOM 164 CA ASP 147 26.769 16.596 13.142 1.00 1.00 ATOM 165 CA PHE 148 26.816 12.823 12.467 1.00 1.00 ATOM 166 CA ILE 149 24.197 10.182 11.818 1.00 1.00 ATOM 167 CA LYS 150 24.950 6.794 13.373 1.00 1.00 ATOM 168 CA THR 151 23.266 3.537 12.459 1.00 1.00 ATOM 169 CA SER 152 22.737 1.796 15.750 1.00 1.00 ATOM 170 CA THR 153 23.165 1.429 19.456 1.00 1.00 ATOM 171 CA GLY 154 24.758 -1.990 19.268 1.00 1.00 ATOM 172 CA PHE 155 22.143 -3.121 21.791 1.00 1.00 ATOM 173 CA ALA 156 19.412 -4.495 19.517 1.00 1.00 ATOM 174 CA PRO 157 19.407 -7.594 17.327 1.00 1.00 ATOM 175 CA ARG 158 20.234 -5.893 14.018 1.00 1.00 ATOM 176 CA GLY 159 22.798 -3.085 13.862 1.00 1.00 ATOM 177 CA THR 160 24.976 -1.792 11.008 1.00 1.00 ATOM 178 CA THR 161 24.476 -3.320 7.591 1.00 1.00 ATOM 179 CA LEU 162 25.961 -2.220 4.259 1.00 1.00 ATOM 180 CA GLU 163 22.486 -1.474 2.920 1.00 1.00 ATOM 181 CA GLU 164 21.617 0.725 5.908 1.00 1.00 ATOM 182 CA VAL 165 24.919 2.526 5.548 1.00 1.00 ATOM 183 CA ARG 166 24.228 3.162 1.873 1.00 1.00 ATOM 184 CA LEU 167 20.764 4.486 2.598 1.00 1.00 ATOM 185 CA ILE 168 21.991 6.894 5.264 1.00 1.00 ATOM 186 CA LYS 169 24.899 8.134 3.164 1.00 1.00 ATOM 187 CA SER 170 22.466 8.665 0.267 1.00 1.00 ATOM 188 CA SER 171 20.500 10.994 2.575 1.00 1.00 ATOM 189 CA ALA 172 23.662 12.999 3.223 1.00 1.00 ATOM 190 CA LYS 173 24.163 13.131 -0.558 1.00 1.00 ATOM 191 CA GLY 174 20.539 14.030 -1.301 1.00 1.00 ATOM 192 CA ARG 175 20.521 16.890 1.195 1.00 1.00 ATOM 198 CA ILE 176 27.320 15.725 8.440 1.00 1.00 ATOM 199 CA LYS 177 29.327 12.605 9.013 1.00 1.00 ATOM 200 CA VAL 178 28.364 8.945 9.040 1.00 1.00 ATOM 201 CA LYS 179 29.003 6.193 11.592 1.00 1.00 ATOM 202 CA ALA 180 28.339 2.495 11.088 1.00 1.00 ATOM 203 CA SER 181 28.028 0.991 14.534 1.00 1.00 ATOM 204 CA GLY 182 27.147 -2.284 16.161 1.00 1.00 ATOM 205 CA GLY 183 28.457 -5.652 15.150 1.00 1.00 ATOM 206 CA ILE 184 31.416 -4.370 13.114 1.00 1.00 ATOM 207 CA ARG 185 33.970 -6.958 14.236 1.00 1.00 ATOM 208 CA ASP 186 36.414 -7.797 11.501 1.00 1.00 ATOM 209 CA LEU 187 38.798 -5.931 9.223 1.00 1.00 ATOM 210 CA GLU 188 36.793 -7.260 6.256 1.00 1.00 ATOM 211 CA THR 189 33.588 -5.794 7.751 1.00 1.00 ATOM 212 CA ALA 190 35.210 -2.407 8.093 1.00 1.00 ATOM 213 CA ILE 191 36.441 -2.592 4.548 1.00 1.00 ATOM 214 CA SER 192 32.871 -2.984 3.245 1.00 1.00 ATOM 215 CA MET 193 31.758 0.275 4.848 1.00 1.00 ATOM 216 CA ILE 194 34.702 2.351 3.670 1.00 1.00 ATOM 217 CA GLU 195 34.103 0.987 0.177 1.00 1.00 ATOM 218 CA ALA 196 30.594 2.501 0.156 1.00 1.00 ATOM 219 CA GLY 197 31.810 5.844 1.500 1.00 1.00 ATOM 220 CA ALA 198 34.552 6.053 -1.087 1.00 1.00 ATOM 221 CA ASP 199 32.116 5.193 -3.893 1.00 1.00 ATOM 222 CA ARG 200 29.631 7.833 -2.885 1.00 1.00 ATOM 223 CA ILE 201 31.839 10.705 -1.815 1.00 1.00 ATOM 224 CA GLY 202 35.313 9.903 -3.114 1.00 1.00 ATOM 225 CA THR 203 38.158 8.535 -1.140 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 01:41:18 2002 Date: Tue, 20 Aug 2002 01:41:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 01:13:23 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_274945_28549 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS189_2 Current information on models submitted in prediction T0178TS189 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_2 PIN_274945_28549 5035-2079-5263 08/20/02 01:13:23 casp5@bialko.llnl.gov T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov T0178TS189_2 PIN_274945_28549 5035-2079-5263 08/20/02 01:13:23 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 T0178 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 I 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 3 # IMPORTANT NOTE! Not complete main chain atoms for residue V 4 # IMPORTANT NOTE! Not complete main chain atoms for residue R 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue D 9 # IMPORTANT NOTE! Not complete main chain atoms for residue N 10 # IMPORTANT NOTE! Not complete main chain atoms for residue A 11 # IMPORTANT NOTE! Not complete main chain atoms for residue A 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue H 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue S 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue K 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue I 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue F 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue L 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue E 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 35 # IMPORTANT NOTE! Not complete main chain atoms for residue A 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue C 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 42 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue G 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 202 # Total number of atoms in model: 202 # Number of atoms with 1.0 occupancy: 202 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 202 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JCL_A ATOM 9 CA ILE 2 44.697 1.286 9.077 1.00 1.00 ATOM 10 CA ASP 3 42.059 3.802 7.996 1.00 1.00 ATOM 11 CA VAL 4 39.398 2.025 10.048 1.00 1.00 ATOM 12 CA ARG 5 41.650 1.977 13.110 1.00 1.00 ATOM 13 CA LYS 6 42.199 5.722 12.914 1.00 1.00 ATOM 14 CA TYR 7 38.453 6.264 12.495 1.00 1.00 ATOM 15 CA ILE 8 37.409 4.057 15.408 1.00 1.00 ATOM 16 CA ASP 9 35.268 5.080 18.357 1.00 1.00 ATOM 17 CA ASN 10 36.677 2.280 20.569 1.00 1.00 ATOM 18 CA ALA 11 33.753 1.366 22.795 1.00 1.00 ATOM 19 CA ALA 12 32.769 -0.284 26.042 1.00 1.00 ATOM 20 CA LEU 13 29.091 0.030 27.035 1.00 1.00 ATOM 21 CA LYS 14 28.322 -2.778 29.473 1.00 1.00 ATOM 22 CA PRO 15 26.408 -3.056 32.693 1.00 1.00 ATOM 23 CA HIS 16 29.479 -4.501 34.380 1.00 1.00 ATOM 24 CA LEU 17 31.824 -1.774 33.278 1.00 1.00 ATOM 25 CA SER 18 34.266 -0.472 35.842 1.00 1.00 ATOM 26 CA GLU 19 37.021 2.131 36.059 1.00 1.00 ATOM 27 CA LYS 20 39.528 -0.693 35.518 1.00 1.00 ATOM 28 CA GLU 21 37.846 -1.737 32.266 1.00 1.00 ATOM 29 CA ILE 22 37.721 1.863 31.027 1.00 1.00 ATOM 30 CA GLU 23 41.401 2.427 31.880 1.00 1.00 ATOM 31 CA GLU 24 42.300 -0.720 29.924 1.00 1.00 ATOM 32 CA PHE 25 40.201 0.541 26.973 1.00 1.00 ATOM 33 CA VAL 26 42.109 3.825 26.985 1.00 1.00 ATOM 34 CA LEU 27 45.391 1.950 26.862 1.00 1.00 ATOM 35 CA LYS 28 44.057 -0.178 23.970 1.00 1.00 ATOM 36 CA SER 29 43.231 2.974 21.984 1.00 1.00 ATOM 37 CA GLU 30 46.953 3.839 21.874 1.00 1.00 ATOM 38 CA GLU 31 48.196 1.283 19.327 1.00 1.00 ATOM 39 CA LEU 32 51.650 0.674 17.758 1.00 1.00 ATOM 42 CA GLY 33 45.549 6.098 17.947 1.00 1.00 ATOM 43 CA ILE 34 41.866 5.493 17.479 1.00 1.00 ATOM 44 CA TYR 35 39.795 8.601 16.820 1.00 1.00 ATOM 45 CA ALA 36 37.918 8.314 20.087 1.00 1.00 ATOM 46 CA VAL 37 36.695 6.132 22.853 1.00 1.00 ATOM 47 CA CYS 38 32.995 5.712 23.685 1.00 1.00 ATOM 48 CA VAL 39 32.012 4.979 27.293 1.00 1.00 ATOM 49 CA ASN 40 29.112 5.649 29.660 1.00 1.00 ATOM 50 CA PRO 41 29.116 9.239 30.982 1.00 1.00 ATOM 51 CA TYR 42 30.191 8.398 34.525 1.00 1.00 ATOM 52 CA HIS 43 33.510 7.089 33.230 1.00 1.00 ATOM 53 CA VAL 44 34.457 10.298 31.335 1.00 1.00 ATOM 54 CA LYS 45 36.593 11.900 34.112 1.00 1.00 ATOM 55 CA LEU 46 38.735 8.814 34.733 1.00 1.00 ATOM 56 CA ALA 47 39.073 8.251 30.983 1.00 1.00 ATOM 57 CA SER 48 40.236 11.841 30.454 1.00 1.00 ATOM 58 CA SER 49 42.848 11.434 33.182 1.00 1.00 ATOM 59 CA ILE 50 44.066 8.160 31.682 1.00 1.00 ATOM 60 CA ALA 51 44.301 9.472 28.136 1.00 1.00 ATOM 61 CA LYS 52 46.263 12.484 29.409 1.00 1.00 ATOM 62 CA LYS 53 48.693 10.426 31.458 1.00 1.00 ATOM 68 CA VAL 54 41.812 10.882 21.521 1.00 1.00 ATOM 69 CA LYS 55 38.282 12.205 21.821 1.00 1.00 ATOM 70 CA VAL 56 35.808 11.058 24.444 1.00 1.00 ATOM 71 CA CYS 57 32.368 10.138 23.145 1.00 1.00 ATOM 72 CA CYS 58 29.465 8.966 25.252 1.00 1.00 ATOM 73 CA VAL 59 25.821 7.957 24.848 1.00 1.00 ATOM 74 CA ILE 60 22.515 9.460 25.975 1.00 1.00 ATOM 75 CA GLY 61 18.875 8.427 25.691 1.00 1.00 ATOM 76 CA PHE 62 20.494 5.025 25.464 1.00 1.00 ATOM 77 CA PRO 63 19.821 2.375 24.388 1.00 1.00 ATOM 78 CA LEU 64 16.053 2.664 24.368 1.00 1.00 ATOM 79 CA GLY 65 15.466 5.853 22.372 1.00 1.00 ATOM 80 CA LEU 66 12.543 6.945 24.502 1.00 1.00 ATOM 81 CA ASN 67 10.563 10.044 23.506 1.00 1.00 ATOM 82 CA LYS 68 11.021 12.065 26.726 1.00 1.00 ATOM 83 CA THR 69 12.911 15.135 25.620 1.00 1.00 ATOM 84 CA SER 70 13.479 16.427 29.130 1.00 1.00 ATOM 85 CA VAL 71 15.266 13.194 30.111 1.00 1.00 ATOM 86 CA LYS 72 17.382 13.030 26.972 1.00 1.00 ATOM 87 CA VAL 73 18.360 16.651 27.387 1.00 1.00 ATOM 88 CA LYS 74 19.212 16.225 31.081 1.00 1.00 ATOM 89 CA GLU 75 21.454 13.276 30.227 1.00 1.00 ATOM 90 CA ALA 76 23.100 15.267 27.440 1.00 1.00 ATOM 91 CA VAL 77 23.721 18.223 29.762 1.00 1.00 ATOM 92 CA GLU 78 25.262 15.818 32.303 1.00 1.00 ATOM 93 CA ALA 79 27.485 14.266 29.606 1.00 1.00 ATOM 94 CA VAL 80 28.684 17.754 28.706 1.00 1.00 ATOM 95 CA ARG 81 29.352 18.567 32.397 1.00 1.00 ATOM 96 CA ASP 82 31.337 15.360 32.907 1.00 1.00 ATOM 97 CA GLY 83 33.561 16.532 30.034 1.00 1.00 ATOM 98 CA ALA 84 32.390 14.701 26.910 1.00 1.00 ATOM 99 CA GLN 85 33.783 15.780 23.560 1.00 1.00 ATOM 100 CA GLU 86 30.953 14.048 21.666 1.00 1.00 ATOM 101 CA LEU 87 27.490 12.739 22.538 1.00 1.00 ATOM 102 CA ASP 88 25.812 9.924 20.635 1.00 1.00 ATOM 103 CA ILE 89 22.056 10.281 21.391 1.00 1.00 ATOM 104 CA VAL 90 19.416 7.703 20.467 1.00 1.00 ATOM 105 CA TRP 91 16.660 9.028 18.223 1.00 1.00 ATOM 106 CA ASN 92 13.049 8.309 19.333 1.00 1.00 ATOM 107 CA LEU 93 12.625 5.707 16.648 1.00 1.00 ATOM 108 CA SER 94 9.559 3.997 18.123 1.00 1.00 ATOM 109 CA ALA 95 7.792 7.347 18.126 1.00 1.00 ATOM 110 CA PHE 96 8.603 7.771 14.424 1.00 1.00 ATOM 111 CA LYS 97 7.327 4.241 13.698 1.00 1.00 ATOM 112 CA SER 98 4.075 5.282 15.403 1.00 1.00 ATOM 113 CA GLU 99 3.830 8.319 13.103 1.00 1.00 ATOM 114 CA LYS 100 5.352 11.067 15.217 1.00 1.00 ATOM 115 CA TYR 101 8.081 12.863 13.262 1.00 1.00 ATOM 116 CA ASP 102 8.038 16.028 15.400 1.00 1.00 ATOM 117 CA PHE 103 9.314 14.515 18.633 1.00 1.00 ATOM 118 CA VAL 104 12.487 13.251 16.949 1.00 1.00 ATOM 119 CA VAL 105 13.123 16.699 15.468 1.00 1.00 ATOM 120 CA GLU 106 12.538 18.386 18.823 1.00 1.00 ATOM 121 CA GLU 107 14.635 15.860 20.769 1.00 1.00 ATOM 122 CA LEU 108 17.648 16.098 18.450 1.00 1.00 ATOM 123 CA LYS 109 17.383 19.906 18.201 1.00 1.00 ATOM 124 CA GLU 110 17.330 20.315 21.988 1.00 1.00 ATOM 125 CA ILE 111 20.376 18.107 22.393 1.00 1.00 ATOM 126 CA PHE 112 22.179 19.818 19.493 1.00 1.00 ATOM 127 CA ARG 113 21.617 23.232 21.073 1.00 1.00 ATOM 128 CA GLU 114 23.226 22.126 24.313 1.00 1.00 ATOM 129 CA THR 115 26.121 20.405 22.547 1.00 1.00 ATOM 130 CA PRO 116 26.817 23.256 20.144 1.00 1.00 ATOM 133 CA SER 117 31.637 22.807 21.429 1.00 1.00 ATOM 134 CA ALA 118 30.518 19.167 21.658 1.00 1.00 ATOM 135 CA VAL 119 29.681 17.115 18.525 1.00 1.00 ATOM 136 CA HIS 120 26.314 15.371 18.390 1.00 1.00 ATOM 137 CA LYS 121 25.816 12.006 16.726 1.00 1.00 ATOM 138 CA VAL 122 22.298 10.619 16.326 1.00 1.00 ATOM 139 CA ILE 123 21.641 6.869 16.522 1.00 1.00 ATOM 140 CA VAL 124 18.568 6.007 14.469 1.00 1.00 ATOM 141 CA GLU 125 18.438 2.219 15.150 1.00 1.00 ATOM 142 CA THR 126 18.148 0.953 11.598 1.00 1.00 ATOM 143 CA PRO 127 17.589 -2.609 12.771 1.00 1.00 ATOM 144 CA TYR 128 14.404 -1.604 14.503 1.00 1.00 ATOM 145 CA LEU 129 13.186 0.882 11.912 1.00 1.00 ATOM 146 CA ASN 130 13.779 -1.782 9.233 1.00 1.00 ATOM 147 CA GLU 131 11.997 -0.131 6.302 1.00 1.00 ATOM 148 CA GLU 132 14.079 1.959 3.920 1.00 1.00 ATOM 149 CA GLU 133 11.592 4.817 4.039 1.00 1.00 ATOM 151 CA ILE 134 15.591 4.825 7.784 1.00 1.00 ATOM 152 CA LYS 135 15.630 7.682 5.323 1.00 1.00 ATOM 153 CA LYS 136 13.101 9.742 7.295 1.00 1.00 ATOM 154 CA ALA 137 14.876 9.311 10.625 1.00 1.00 ATOM 155 CA VAL 138 18.139 10.309 8.947 1.00 1.00 ATOM 156 CA GLU 139 16.508 13.329 7.328 1.00 1.00 ATOM 157 CA ILE 140 14.829 14.546 10.510 1.00 1.00 ATOM 158 CA CYS 141 18.083 14.132 12.442 1.00 1.00 ATOM 159 CA ILE 142 20.030 16.127 9.857 1.00 1.00 ATOM 160 CA GLU 143 17.404 18.874 9.746 1.00 1.00 ATOM 161 CA ALA 144 17.552 19.104 13.553 1.00 1.00 ATOM 162 CA GLY 145 21.330 19.547 13.480 1.00 1.00 ATOM 163 CA ALA 146 22.957 16.113 13.757 1.00 1.00 ATOM 164 CA ASP 147 26.721 16.275 13.151 1.00 1.00 ATOM 165 CA PHE 148 26.759 12.495 12.470 1.00 1.00 ATOM 166 CA ILE 149 24.130 9.870 11.804 1.00 1.00 ATOM 167 CA LYS 150 24.867 6.462 13.354 1.00 1.00 ATOM 168 CA THR 151 23.174 3.190 12.426 1.00 1.00 ATOM 169 CA SER 152 22.647 1.424 15.678 1.00 1.00 ATOM 170 CA THR 153 23.087 1.059 19.420 1.00 1.00 ATOM 171 CA GLY 154 24.678 -2.376 19.227 1.00 1.00 ATOM 172 CA PHE 155 22.047 -3.446 21.788 1.00 1.00 ATOM 173 CA ALA 156 19.327 -4.821 19.477 1.00 1.00 ATOM 174 CA PRO 157 19.276 -7.920 17.285 1.00 1.00 ATOM 175 CA ARG 158 20.173 -6.207 13.963 1.00 1.00 ATOM 176 CA GLY 159 22.734 -3.425 13.836 1.00 1.00 ATOM 177 CA THR 160 24.915 -2.116 11.006 1.00 1.00 ATOM 178 CA THR 161 24.450 -3.625 7.567 1.00 1.00 ATOM 179 CA LEU 162 25.982 -2.497 4.252 1.00 1.00 ATOM 180 CA GLU 163 22.496 -1.760 2.923 1.00 1.00 ATOM 181 CA GLU 164 21.597 0.403 5.913 1.00 1.00 ATOM 182 CA VAL 165 24.904 2.232 5.516 1.00 1.00 ATOM 183 CA ARG 166 24.221 2.885 1.844 1.00 1.00 ATOM 184 CA LEU 167 20.735 4.194 2.579 1.00 1.00 ATOM 185 CA ILE 168 21.956 6.567 5.271 1.00 1.00 ATOM 186 CA LYS 169 24.860 7.822 3.178 1.00 1.00 ATOM 187 CA SER 170 22.438 8.351 0.271 1.00 1.00 ATOM 188 CA SER 171 20.479 10.696 2.565 1.00 1.00 ATOM 189 CA ALA 172 23.626 12.699 3.235 1.00 1.00 ATOM 190 CA LYS 173 24.136 12.822 -0.532 1.00 1.00 ATOM 191 CA GLY 174 20.497 13.744 -1.310 1.00 1.00 ATOM 192 CA ARG 175 20.478 16.587 1.205 1.00 1.00 ATOM 198 CA ILE 176 27.258 15.416 8.449 1.00 1.00 ATOM 199 CA LYS 177 29.346 12.310 9.043 1.00 1.00 ATOM 200 CA VAL 178 28.375 8.644 9.064 1.00 1.00 ATOM 201 CA LYS 179 29.027 6.015 11.759 1.00 1.00 ATOM 202 CA ALA 180 28.241 2.337 11.227 1.00 1.00 ATOM 203 CA SER 181 27.983 0.615 14.610 1.00 1.00 ATOM 204 CA GLY 182 27.089 -2.673 16.153 1.00 1.00 ATOM 205 CA GLY 183 28.414 -6.023 15.010 1.00 1.00 ATOM 206 CA ILE 184 31.364 -4.634 13.036 1.00 1.00 ATOM 207 CA ARG 185 33.847 -7.250 14.207 1.00 1.00 ATOM 208 CA ASP 186 36.412 -8.050 11.498 1.00 1.00 ATOM 209 CA LEU 187 38.786 -6.185 9.269 1.00 1.00 ATOM 210 CA GLU 188 36.778 -7.481 6.274 1.00 1.00 ATOM 211 CA THR 189 33.552 -6.073 7.820 1.00 1.00 ATOM 212 CA ALA 190 35.166 -2.665 8.140 1.00 1.00 ATOM 213 CA ILE 191 36.424 -2.826 4.592 1.00 1.00 ATOM 214 CA SER 192 32.880 -3.235 3.270 1.00 1.00 ATOM 215 CA MET 193 31.738 -0.020 4.921 1.00 1.00 ATOM 216 CA ILE 194 34.660 2.101 3.701 1.00 1.00 ATOM 217 CA GLU 195 34.097 0.694 0.182 1.00 1.00 ATOM 218 CA ALA 196 30.590 2.246 0.144 1.00 1.00 ATOM 219 CA GLY 197 31.803 5.581 1.520 1.00 1.00 ATOM 220 CA ALA 198 34.578 5.757 -1.064 1.00 1.00 ATOM 221 CA ASP 199 32.115 4.901 -3.868 1.00 1.00 ATOM 222 CA ARG 200 29.628 7.531 -2.880 1.00 1.00 ATOM 223 CA ILE 201 31.847 10.452 -1.795 1.00 1.00 ATOM 224 CA GLY 202 35.320 9.609 -3.078 1.00 1.00 ATOM 225 CA THR 203 38.178 8.236 -1.059 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 01:41:29 2002 Date: Tue, 20 Aug 2002 01:41:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 01:13:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_273731_28550 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS189_3 Current information on models submitted in prediction T0178TS189 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_3 PIN_273731_28550 5035-2079-5263 08/20/02 01:13:41 casp5@bialko.llnl.gov T0178TS189_2 PIN_274945_28549 5035-2079-5263 08/20/02 01:13:23 casp5@bialko.llnl.gov T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov T0178TS189_2 PIN_274945_28549 5035-2079-5263 08/20/02 01:13:23 casp5@bialko.llnl.gov T0178TS189_3 PIN_273731_28550 5035-2079-5263 08/20/02 01:13:41 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 T0178 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1D3H_A # Loading PARENT structure: 1d3h (chain: A) # Number of residues in PARENT structure: 364 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 43 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue P 63 # IMPORTANT NOTE! Not complete main chain atoms for residue L 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue S 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue E 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue E 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue P 157 # IMPORTANT NOTE! Not complete main chain atoms for residue R 158 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue T 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 157 # Total number of atoms in model: 157 # Number of atoms with 1.0 occupancy: 157 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 157 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1D3H_A ATOM 165 CA HIS 43 59.400 42.127 22.608 1.00 1.00 ATOM 166 CA VAL 44 60.630 45.307 24.299 1.00 1.00 ATOM 167 CA LYS 45 60.493 47.257 21.062 1.00 1.00 ATOM 168 CA LEU 46 56.822 46.216 20.906 1.00 1.00 ATOM 169 CA ALA 47 56.248 47.230 24.552 1.00 1.00 ATOM 170 CA SER 48 57.411 50.741 23.652 1.00 1.00 ATOM 171 CA SER 49 55.276 50.793 20.488 1.00 1.00 ATOM 172 CA ILE 50 52.205 49.689 22.453 1.00 1.00 ATOM 173 CA ALA 51 52.900 52.365 25.058 1.00 1.00 ATOM 174 CA LYS 52 53.140 54.852 22.166 1.00 1.00 ATOM 175 CA LYS 53 49.671 53.895 20.904 1.00 1.00 ATOM 176 CA VAL 54 50.615 51.122 18.453 1.00 1.00 ATOM 177 CA LYS 55 49.306 47.824 19.791 1.00 1.00 ATOM 178 CA VAL 56 49.851 44.321 18.505 1.00 1.00 ATOM 179 CA CYS 57 47.221 41.631 18.055 1.00 1.00 ATOM 180 CA CYS 58 47.896 37.916 17.575 1.00 1.00 ATOM 181 CA VAL 59 45.353 35.785 15.757 1.00 1.00 ATOM 182 CA ILE 60 45.219 32.106 16.683 1.00 1.00 ATOM 183 CA GLY 61 44.137 29.187 14.525 1.00 1.00 ATOM 184 CA PHE 62 44.063 25.431 14.800 1.00 1.00 ATOM 185 CA PRO 63 45.967 22.732 12.990 1.00 1.00 ATOM 186 CA LEU 64 44.290 20.767 10.243 1.00 1.00 ATOM 187 CA GLY 65 44.672 17.385 11.927 1.00 1.00 ATOM 188 CA LEU 66 44.221 18.492 15.531 1.00 1.00 ATOM 189 CA ASN 67 41.929 16.213 17.516 1.00 1.00 ATOM 190 CA LYS 68 41.004 18.864 20.098 1.00 1.00 ATOM 191 CA THR 69 40.290 22.355 18.773 1.00 1.00 ATOM 192 CA SER 70 40.040 24.037 22.166 1.00 1.00 ATOM 193 CA VAL 71 43.427 22.662 23.191 1.00 1.00 ATOM 194 CA LYS 72 44.942 24.156 20.020 1.00 1.00 ATOM 195 CA VAL 73 43.590 27.589 20.965 1.00 1.00 ATOM 196 CA LYS 74 44.640 27.166 24.610 1.00 1.00 ATOM 197 CA GLU 75 48.198 26.385 23.484 1.00 1.00 ATOM 198 CA ALA 76 48.130 29.582 21.433 1.00 1.00 ATOM 199 CA VAL 77 46.994 31.580 24.465 1.00 1.00 ATOM 200 CA GLU 78 49.792 30.147 26.579 1.00 1.00 ATOM 201 CA ALA 79 52.549 30.641 24.016 1.00 1.00 ATOM 202 CA VAL 80 51.692 33.941 22.293 1.00 1.00 ATOM 203 CA ARG 81 49.296 35.428 24.810 1.00 1.00 ATOM 204 CA ASP 82 52.229 36.845 26.802 1.00 1.00 ATOM 205 CA GLY 83 53.492 38.684 23.733 1.00 1.00 ATOM 206 CA ALA 84 50.201 40.140 22.473 1.00 1.00 ATOM 207 CA GLN 85 48.062 43.120 23.423 1.00 1.00 ATOM 208 CA GLU 86 45.067 41.203 22.181 1.00 1.00 ATOM 209 CA LEU 87 44.430 37.664 21.028 1.00 1.00 ATOM 210 CA ASP 88 41.914 36.598 18.407 1.00 1.00 ATOM 211 CA ILE 89 40.135 33.284 18.510 1.00 1.00 ATOM 212 CA VAL 90 39.686 32.787 14.830 1.00 1.00 ATOM 213 CA TRP 91 36.730 30.486 14.480 1.00 1.00 ATOM 214 CA ASN 92 35.677 31.794 11.063 1.00 1.00 ATOM 220 CA SER 94 34.804 21.983 10.708 1.00 1.00 ATOM 221 CA ALA 95 36.223 25.289 11.966 1.00 1.00 ATOM 222 CA PHE 96 33.179 27.514 11.481 1.00 1.00 ATOM 223 CA LYS 97 30.994 25.050 13.445 1.00 1.00 ATOM 224 CA SER 98 32.882 26.202 16.567 1.00 1.00 ATOM 225 CA GLU 99 30.887 29.456 16.265 1.00 1.00 ATOM 226 CA LYS 100 27.812 27.467 17.396 1.00 1.00 ATOM 227 CA TYR 101 26.575 28.208 20.912 1.00 1.00 ATOM 228 CA ASP 102 27.507 25.194 23.049 1.00 1.00 ATOM 229 CA PHE 103 30.822 24.661 21.298 1.00 1.00 ATOM 230 CA VAL 104 31.697 28.347 21.404 1.00 1.00 ATOM 231 CA VAL 105 30.857 28.554 25.114 1.00 1.00 ATOM 232 CA GLU 106 33.035 25.552 25.939 1.00 1.00 ATOM 233 CA GLU 107 35.873 26.756 23.709 1.00 1.00 ATOM 234 CA LEU 108 35.867 30.339 24.974 1.00 1.00 ATOM 235 CA LYS 109 35.548 29.279 28.631 1.00 1.00 ATOM 236 CA GLU 110 38.768 27.323 28.180 1.00 1.00 ATOM 237 CA ILE 111 40.495 30.160 26.307 1.00 1.00 ATOM 238 CA PHE 112 39.583 32.733 28.955 1.00 1.00 ATOM 239 CA ARG 113 40.677 30.453 31.794 1.00 1.00 ATOM 240 CA GLU 114 44.074 30.136 30.103 1.00 1.00 ATOM 241 CA THR 115 44.302 33.889 29.500 1.00 1.00 ATOM 242 CA PRO 116 43.347 34.633 33.087 1.00 1.00 ATOM 248 CA SER 117 51.303 39.585 30.026 1.00 1.00 ATOM 249 CA ALA 118 47.527 39.229 29.991 1.00 1.00 ATOM 250 CA VAL 119 45.936 40.136 26.671 1.00 1.00 ATOM 251 CA HIS 120 42.393 41.038 25.745 1.00 1.00 ATOM 252 CA LYS 121 40.598 38.173 23.977 1.00 1.00 ATOM 253 CA VAL 122 38.404 38.755 20.916 1.00 1.00 ATOM 254 CA ILE 123 36.455 36.328 18.718 1.00 1.00 ATOM 255 CA VAL 124 36.559 36.767 14.929 1.00 1.00 ATOM 256 CA GLU 125 33.342 35.749 13.225 1.00 1.00 ATOM 257 CA THR 126 32.180 35.072 9.720 1.00 1.00 ATOM 258 CA PRO 127 29.959 37.255 7.565 1.00 1.00 ATOM 259 CA TYR 128 27.866 34.187 6.712 1.00 1.00 ATOM 260 CA LEU 129 26.167 33.564 10.068 1.00 1.00 ATOM 261 CA ASN 130 22.474 32.964 10.512 1.00 1.00 ATOM 262 CA GLU 131 20.425 35.278 12.723 1.00 1.00 ATOM 263 CA GLU 132 20.382 32.435 15.255 1.00 1.00 ATOM 264 CA GLU 133 24.161 32.131 15.131 1.00 1.00 ATOM 265 CA ILE 134 24.600 35.871 15.715 1.00 1.00 ATOM 266 CA LYS 135 22.172 35.931 18.639 1.00 1.00 ATOM 267 CA LYS 136 23.971 32.944 20.196 1.00 1.00 ATOM 268 CA ALA 137 27.411 34.535 19.768 1.00 1.00 ATOM 269 CA VAL 138 26.161 37.762 21.337 1.00 1.00 ATOM 270 CA GLU 139 24.745 35.825 24.284 1.00 1.00 ATOM 271 CA ILE 140 27.941 33.821 24.885 1.00 1.00 ATOM 272 CA CYS 141 30.195 36.873 24.533 1.00 1.00 ATOM 273 CA ILE 142 28.160 38.749 27.143 1.00 1.00 ATOM 274 CA GLU 143 27.903 35.742 29.476 1.00 1.00 ATOM 275 CA ALA 144 31.652 35.080 29.419 1.00 1.00 ATOM 276 CA GLY 145 32.875 38.686 29.283 1.00 1.00 ATOM 277 CA ALA 146 34.761 38.270 25.994 1.00 1.00 ATOM 278 CA ASP 147 36.613 41.534 25.412 1.00 1.00 ATOM 280 CA PHE 148 34.647 40.868 18.378 1.00 1.00 ATOM 281 CA ILE 149 36.329 41.070 14.997 1.00 1.00 ATOM 282 CA LYS 150 33.665 41.327 12.289 1.00 1.00 ATOM 283 CA THR 151 34.216 39.923 9.760 1.00 1.00 ATOM 284 CA SER 152 36.326 37.222 8.121 1.00 1.00 ATOM 285 CA THR 153 35.937 36.441 4.408 1.00 1.00 ATOM 286 CA GLY 154 32.685 35.197 2.924 1.00 1.00 ATOM 287 CA PHE 155 31.905 31.802 1.397 1.00 1.00 ATOM 288 CA ALA 156 29.034 33.525 -0.414 1.00 1.00 ATOM 289 CA PRO 157 29.411 34.778 -3.983 1.00 1.00 ATOM 290 CA ARG 158 27.293 37.915 -4.228 1.00 1.00 ATOM 312 CA THR 160 27.802 42.359 4.281 1.00 1.00 ATOM 313 CA THR 161 30.517 43.012 6.849 1.00 1.00 ATOM 314 CA LEU 162 29.158 46.461 7.749 1.00 1.00 ATOM 315 CA GLU 163 25.718 44.952 8.293 1.00 1.00 ATOM 316 CA GLU 164 27.188 42.221 10.512 1.00 1.00 ATOM 317 CA VAL 165 28.908 44.889 12.607 1.00 1.00 ATOM 318 CA ARG 166 25.625 46.747 12.927 1.00 1.00 ATOM 319 CA LEU 167 23.772 43.625 14.080 1.00 1.00 ATOM 320 CA ILE 168 26.461 42.536 16.558 1.00 1.00 ATOM 321 CA LYS 169 26.707 46.030 18.084 1.00 1.00 ATOM 322 CA SER 170 22.938 46.065 18.604 1.00 1.00 ATOM 323 CA SER 171 22.846 42.536 20.062 1.00 1.00 ATOM 324 CA ALA 172 25.650 43.415 22.512 1.00 1.00 ATOM 325 CA LYS 173 24.094 46.768 23.408 1.00 1.00 ATOM 326 CA GLY 174 27.188 48.668 22.267 1.00 1.00 ATOM 327 CA ARG 175 29.059 47.268 25.304 1.00 1.00 ATOM 328 CA ILE 176 31.482 44.995 23.415 1.00 1.00 ATOM 329 CA LYS 177 34.202 46.618 21.279 1.00 1.00 ATOM 330 CA VAL 178 34.122 45.621 17.628 1.00 1.00 ATOM 331 CA LYS 179 36.988 45.716 15.163 1.00 1.00 ATOM 332 CA ALA 180 35.284 46.083 11.784 1.00 1.00 ATOM 333 CA SER 181 36.905 44.482 8.748 1.00 1.00 ATOM 334 CA GLY 182 35.846 43.615 5.196 1.00 1.00 ATOM 335 CA GLY 183 36.103 45.735 2.062 1.00 1.00 ATOM 336 CA ILE 184 37.547 48.925 3.593 1.00 1.00 ATOM 337 CA ARG 185 39.337 50.934 0.904 1.00 1.00 ATOM 338 CA ASP 186 38.387 54.532 1.750 1.00 1.00 ATOM 339 CA LEU 187 37.641 56.872 4.639 1.00 1.00 ATOM 340 CA GLU 188 33.908 56.544 3.852 1.00 1.00 ATOM 341 CA THR 189 34.137 52.746 4.127 1.00 1.00 ATOM 342 CA ALA 190 35.910 53.097 7.484 1.00 1.00 ATOM 343 CA ILE 191 33.410 55.632 8.813 1.00 1.00 ATOM 344 CA SER 192 30.461 53.496 7.776 1.00 1.00 ATOM 345 CA MET 193 31.849 50.660 9.874 1.00 1.00 ATOM 346 CA ILE 194 32.625 52.986 12.813 1.00 1.00 ATOM 347 CA GLU 195 29.142 54.503 12.689 1.00 1.00 ATOM 348 CA ALA 196 27.700 50.965 12.522 1.00 1.00 ATOM 349 CA GLY 197 29.497 50.123 15.772 1.00 1.00 ATOM 350 CA ALA 198 33.205 49.462 15.109 1.00 1.00 ATOM 351 CA ASP 199 35.702 51.093 17.441 1.00 1.00 ATOM 352 CA ARG 200 38.572 50.160 15.115 1.00 1.00 ATOM 353 CA ILE 201 38.773 48.925 11.513 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 01:42:08 2002 Date: Tue, 20 Aug 2002 01:42:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0178 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 01:14:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_278995_28551 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0178TS189_4 Current information on models submitted in prediction T0178TS189 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_4 PIN_278995_28551 5035-2079-5263 08/20/02 01:14:01 casp5@bialko.llnl.gov T0178TS189_3 PIN_273731_28550 5035-2079-5263 08/20/02 01:13:41 casp5@bialko.llnl.gov T0178TS189_2 PIN_274945_28549 5035-2079-5263 08/20/02 01:13:23 casp5@bialko.llnl.gov T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0178 MODEL_INDEX PIN CODE DATE E-mail T0178TS189_1 PIN_273144_28548 5035-2079-5263 08/20/02 01:13:05 casp5@bialko.llnl.gov T0178TS189_2 PIN_274945_28549 5035-2079-5263 08/20/02 01:13:23 casp5@bialko.llnl.gov T0178TS189_3 PIN_273731_28550 5035-2079-5263 08/20/02 01:13:41 casp5@bialko.llnl.gov T0178TS189_4 PIN_278995_28551 5035-2079-5263 08/20/02 01:14:01 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 T0178 AUTHOR 5035-2079-5263 # Reading MODEL 4 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 4 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue K 45 # IMPORTANT NOTE! Not complete main chain atoms for residue L 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue S 48 # IMPORTANT NOTE! Not complete main chain atoms for residue S 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue K 55 # IMPORTANT NOTE! Not complete main chain atoms for residue V 56 # IMPORTANT NOTE! Not complete main chain atoms for residue C 57 # IMPORTANT NOTE! Not complete main chain atoms for residue C 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 67 # IMPORTANT NOTE! Not complete main chain atoms for residue K 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue V 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue V 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue E 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue R 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 85 # IMPORTANT NOTE! Not complete main chain atoms for residue E 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue D 88 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue V 90 # IMPORTANT NOTE! Not complete main chain atoms for residue W 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue A 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue S 98 # IMPORTANT NOTE! Not complete main chain atoms for residue E 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 101 # IMPORTANT NOTE! Not complete main chain atoms for residue D 102 # IMPORTANT NOTE! Not complete main chain atoms for residue F 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue T 115 # IMPORTANT NOTE! Not complete main chain atoms for residue P 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue H 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue V 122 # IMPORTANT NOTE! Not complete main chain atoms for residue I 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue E 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue P 127 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue N 130 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue I 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue A 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue F 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue K 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue G 154 # IMPORTANT NOTE! Not complete main chain atoms for residue F 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue V 165 # IMPORTANT NOTE! Not complete main chain atoms for residue R 166 # IMPORTANT NOTE! Not complete main chain atoms for residue L 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue S 170 # IMPORTANT NOTE! Not complete main chain atoms for residue S 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue K 173 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue G 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue I 184 # IMPORTANT NOTE! Not complete main chain atoms for residue R 185 # IMPORTANT NOTE! Not complete main chain atoms for residue D 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue E 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue M 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue E 195 # IMPORTANT NOTE! Not complete main chain atoms for residue A 196 # IMPORTANT NOTE! Not complete main chain atoms for residue G 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue R 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue S 205 # IMPORTANT NOTE! Not complete main chain atoms for residue G 206 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0178 # Total number of residues in target: 219 # Total number of residues in model: 146 # Total number of atoms in model: 146 # Number of atoms with 1.0 occupancy: 146 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 146 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0178 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1GTH_C ATOM 625 CA VAL 44 10.961 109.217 -33.405 1.00 1.00 ATOM 626 CA LYS 45 7.267 109.690 -34.147 1.00 1.00 ATOM 627 CA LEU 46 6.573 109.923 -30.409 1.00 1.00 ATOM 628 CA ALA 47 9.444 112.333 -29.743 1.00 1.00 ATOM 629 CA SER 48 8.567 114.630 -32.653 1.00 1.00 ATOM 630 CA SER 49 4.927 114.630 -31.587 1.00 1.00 ATOM 631 CA ILE 50 5.841 115.688 -28.040 1.00 1.00 ATOM 632 CA ALA 51 8.788 117.955 -28.875 1.00 1.00 ATOM 633 CA LYS 52 8.054 119.703 -32.217 1.00 1.00 ATOM 634 CA LYS 53 10.761 122.308 -31.632 1.00 1.00 ATOM 636 CA VAL 54 15.413 118.478 -33.698 1.00 1.00 ATOM 637 CA LYS 55 15.575 114.676 -33.960 1.00 1.00 ATOM 638 CA VAL 56 18.099 113.231 -36.382 1.00 1.00 ATOM 639 CA CYS 57 17.932 109.522 -37.191 1.00 1.00 ATOM 640 CA CYS 58 21.334 107.835 -37.471 1.00 1.00 ATOM 641 CA VAL 59 21.292 104.878 -39.859 1.00 1.00 ATOM 644 CA LEU 66 26.166 97.721 -46.076 1.00 1.00 ATOM 645 CA ASN 67 27.182 98.939 -49.541 1.00 1.00 ATOM 646 CA LYS 68 23.741 98.175 -50.982 1.00 1.00 ATOM 647 CA THR 69 21.498 100.672 -52.786 1.00 1.00 ATOM 648 CA SER 70 18.155 99.063 -51.955 1.00 1.00 ATOM 649 CA VAL 71 19.062 98.829 -48.261 1.00 1.00 ATOM 650 CA LYS 72 20.091 102.461 -47.929 1.00 1.00 ATOM 651 CA VAL 73 16.951 103.601 -49.741 1.00 1.00 ATOM 652 CA LYS 74 14.709 101.322 -47.684 1.00 1.00 ATOM 653 CA GLU 75 16.101 102.359 -44.295 1.00 1.00 ATOM 654 CA ALA 76 16.384 106.056 -45.121 1.00 1.00 ATOM 655 CA VAL 77 12.756 106.108 -46.296 1.00 1.00 ATOM 656 CA GLU 78 11.566 104.208 -43.213 1.00 1.00 ATOM 657 CA ALA 79 13.354 106.769 -41.046 1.00 1.00 ATOM 658 CA VAL 80 12.012 109.720 -43.046 1.00 1.00 ATOM 659 CA ARG 81 8.460 108.375 -42.759 1.00 1.00 ATOM 660 CA ASP 82 8.673 108.243 -38.954 1.00 1.00 ATOM 661 CA GLY 83 8.954 112.020 -38.908 1.00 1.00 ATOM 662 CA ALA 84 12.692 112.511 -38.434 1.00 1.00 ATOM 663 CA GLN 85 13.852 116.076 -39.160 1.00 1.00 ATOM 664 CA GLU 86 16.928 114.706 -40.908 1.00 1.00 ATOM 665 CA LEU 87 19.179 111.679 -41.208 1.00 1.00 ATOM 666 CA ASP 88 22.804 111.029 -40.333 1.00 1.00 ATOM 667 CA ILE 89 24.599 108.403 -42.396 1.00 1.00 ATOM 668 CA VAL 90 26.981 106.438 -40.196 1.00 1.00 ATOM 669 CA TRP 91 29.904 105.812 -42.533 1.00 1.00 ATOM 670 CA ASN 92 32.508 105.947 -39.776 1.00 1.00 ATOM 680 CA LEU 93 29.531 98.621 -43.336 1.00 1.00 ATOM 681 CA SER 94 30.526 101.660 -41.320 1.00 1.00 ATOM 682 CA ALA 95 34.130 102.797 -41.748 1.00 1.00 ATOM 683 CA PHE 96 34.935 100.386 -44.639 1.00 1.00 ATOM 684 CA LYS 97 32.659 102.590 -46.749 1.00 1.00 ATOM 685 CA SER 98 33.660 105.897 -45.155 1.00 1.00 ATOM 686 CA GLU 99 37.303 105.902 -46.207 1.00 1.00 ATOM 687 CA LYS 100 36.702 105.771 -49.959 1.00 1.00 ATOM 688 CA TYR 101 35.442 108.991 -51.623 1.00 1.00 ATOM 689 CA ASP 102 33.783 106.947 -54.371 1.00 1.00 ATOM 690 CA PHE 103 31.709 104.809 -52.017 1.00 1.00 ATOM 691 CA VAL 104 30.795 107.828 -49.896 1.00 1.00 ATOM 692 CA VAL 105 29.585 109.676 -52.982 1.00 1.00 ATOM 693 CA GLU 106 27.433 106.765 -54.165 1.00 1.00 ATOM 694 CA GLU 107 25.816 106.139 -50.779 1.00 1.00 ATOM 695 CA LEU 108 24.880 109.816 -50.508 1.00 1.00 ATOM 696 CA LYS 109 23.447 109.643 -54.043 1.00 1.00 ATOM 697 CA GLU 110 21.280 106.657 -53.150 1.00 1.00 ATOM 698 CA ILE 111 19.930 108.452 -50.082 1.00 1.00 ATOM 699 CA PHE 112 19.466 111.780 -51.873 1.00 1.00 ATOM 700 CA ARG 113 17.136 110.152 -54.386 1.00 1.00 ATOM 701 CA GLU 114 15.307 108.150 -51.717 1.00 1.00 ATOM 702 CA THR 115 14.286 110.961 -49.346 1.00 1.00 ATOM 703 CA PRO 116 13.442 114.677 -49.367 1.00 1.00 ATOM 705 CA VAL 119 18.058 116.794 -45.293 1.00 1.00 ATOM 706 CA HIS 120 20.759 114.284 -44.375 1.00 1.00 ATOM 707 CA LYS 121 24.357 114.417 -43.220 1.00 1.00 ATOM 708 CA VAL 122 27.259 112.032 -43.690 1.00 1.00 ATOM 709 CA ILE 123 29.158 111.283 -40.488 1.00 1.00 ATOM 710 CA VAL 124 32.842 111.249 -41.379 1.00 1.00 ATOM 711 CA GLU 125 35.684 109.279 -39.828 1.00 1.00 ATOM 712 CA THR 126 38.874 111.090 -38.794 1.00 1.00 ATOM 713 CA PRO 127 40.843 107.936 -39.596 1.00 1.00 ATOM 714 CA TYR 128 41.728 108.944 -43.154 1.00 1.00 ATOM 715 CA LEU 129 44.616 110.658 -44.886 1.00 1.00 ATOM 716 CA ASN 130 42.406 113.449 -46.274 1.00 1.00 ATOM 717 CA ILE 134 39.024 114.041 -44.632 1.00 1.00 ATOM 718 CA LYS 135 38.276 116.837 -47.106 1.00 1.00 ATOM 719 CA LYS 136 38.161 114.332 -49.970 1.00 1.00 ATOM 720 CA ALA 137 35.369 112.346 -48.304 1.00 1.00 ATOM 721 CA VAL 138 33.529 115.486 -47.173 1.00 1.00 ATOM 722 CA GLU 139 33.660 116.721 -50.764 1.00 1.00 ATOM 723 CA ILE 140 32.446 113.343 -52.026 1.00 1.00 ATOM 724 CA CYS 141 29.464 113.630 -49.681 1.00 1.00 ATOM 725 CA ILE 142 28.643 117.100 -50.973 1.00 1.00 ATOM 726 CA GLU 143 28.901 115.871 -54.569 1.00 1.00 ATOM 727 CA ALA 144 26.635 112.957 -53.700 1.00 1.00 ATOM 728 CA GLY 145 23.941 115.358 -52.529 1.00 1.00 ATOM 729 CA ALA 146 24.504 115.446 -48.765 1.00 1.00 ATOM 730 CA ASP 147 23.197 118.556 -46.990 1.00 1.00 ATOM 731 CA PHE 148 26.235 118.618 -44.747 1.00 1.00 ATOM 732 CA ILE 149 28.687 116.502 -42.795 1.00 1.00 ATOM 733 CA LYS 150 29.206 115.520 -39.182 1.00 1.00 ATOM 734 CA THR 151 32.872 115.762 -38.193 1.00 1.00 ATOM 735 CA SER 152 33.931 113.541 -36.662 1.00 1.00 ATOM 736 CA THR 153 33.405 109.990 -35.388 1.00 1.00 ATOM 740 CA GLY 154 43.148 103.407 -31.077 1.00 1.00 ATOM 741 CA PHE 155 44.207 101.069 -28.303 1.00 1.00 ATOM 772 CA LEU 162 42.583 118.710 -31.538 1.00 1.00 ATOM 773 CA GLU 163 41.884 116.169 -34.293 1.00 1.00 ATOM 774 CA GLU 164 38.223 117.159 -34.545 1.00 1.00 ATOM 775 CA VAL 165 38.993 120.890 -34.558 1.00 1.00 ATOM 776 CA ARG 166 41.479 120.440 -37.383 1.00 1.00 ATOM 777 CA LEU 167 38.947 118.356 -39.317 1.00 1.00 ATOM 778 CA ILE 168 36.196 120.939 -38.885 1.00 1.00 ATOM 779 CA LYS 169 38.435 123.877 -39.833 1.00 1.00 ATOM 780 CA SER 170 39.943 122.195 -42.904 1.00 1.00 ATOM 781 CA SER 171 36.518 121.139 -44.212 1.00 1.00 ATOM 782 CA ALA 172 35.154 124.624 -43.497 1.00 1.00 ATOM 783 CA LYS 173 37.968 126.269 -45.455 1.00 1.00 ATOM 784 CA GLY 174 37.824 123.837 -48.373 1.00 1.00 ATOM 785 CA ARG 175 34.024 123.798 -48.683 1.00 1.00 ATOM 788 CA ILE 176 28.763 123.585 -46.395 1.00 1.00 ATOM 789 CA LYS 177 26.952 122.749 -43.098 1.00 1.00 ATOM 790 CA VAL 178 29.076 121.035 -40.457 1.00 1.00 ATOM 791 CA LYS 179 27.842 119.340 -37.300 1.00 1.00 ATOM 792 CA ALA 180 30.827 119.183 -34.953 1.00 1.00 ATOM 793 CA SER 181 31.607 116.309 -32.597 1.00 1.00 ATOM 794 CA GLY 182 34.761 115.520 -30.660 1.00 1.00 ATOM 795 CA GLY 183 35.637 116.749 -27.195 1.00 1.00 ATOM 796 CA ILE 184 32.948 119.398 -26.779 1.00 1.00 ATOM 797 CA ARG 185 32.415 119.751 -23.027 1.00 1.00 ATOM 798 CA ASP 186 31.490 123.389 -22.417 1.00 1.00 ATOM 799 CA LEU 187 30.104 126.580 -23.970 1.00 1.00 ATOM 800 CA GLU 188 33.690 127.782 -24.373 1.00 1.00 ATOM 801 CA THR 189 34.890 124.722 -26.306 1.00 1.00 ATOM 802 CA ALA 190 31.621 124.713 -28.209 1.00 1.00 ATOM 803 CA ILE 191 32.270 128.306 -29.292 1.00 1.00 ATOM 804 CA SER 192 35.668 127.187 -30.605 1.00 1.00 ATOM 805 CA MET 193 33.966 124.767 -33.006 1.00 1.00 ATOM 806 CA ILE 194 31.431 127.439 -34.075 1.00 1.00 ATOM 807 CA GLU 195 34.299 129.837 -34.765 1.00 1.00 ATOM 808 CA ALA 196 35.919 126.991 -36.722 1.00 1.00 ATOM 809 CA GLY 197 32.977 126.611 -39.114 1.00 1.00 ATOM 810 CA ALA 198 30.487 124.341 -37.362 1.00 1.00 ATOM 811 CA ASP 199 26.830 125.357 -37.016 1.00 1.00 ATOM 812 CA ARG 200 25.717 122.863 -34.368 1.00 1.00 ATOM 813 CA ILE 201 27.529 120.893 -31.673 1.00 1.00 ATOM 814 CA GLY 202 27.144 117.203 -30.877 1.00 1.00 ATOM 815 CA THR 203 28.141 115.887 -27.442 1.00 1.00 ATOM 816 CA SER 204 28.820 112.434 -25.985 1.00 1.00 ATOM 817 CA SER 205 31.776 112.039 -23.602 1.00 1.00 ATOM 818 CA GLY 206 30.905 115.180 -21.614 1.00 1.00 TER END ################################ # # # END # # # ################################