From mailer@bialko.llnl.gov Thu Aug 15 07:25:18 2002 Date: Thu, 15 Aug 2002 07:25:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 06:57:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_703565_24617 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186SS389_1 Current information on models submitted in prediction T0186SS389 MODEL_INDEX PIN CODE DATE E-mail T0186SS389_1 PIN_703565_24617 1549-8716-6404 08/15/02 06:57:24 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 T0186 MODEL_INDEX PIN CODE DATE E-mail T0186SS389_1 PIN_703565_24617 1549-8716-6404 08/15/02 06:57:24 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 T0186 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: 364 # Number of residues with nonzero confidence: 364 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0186 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0186.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0186.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0186.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 T0186.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0186 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 T0186.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 183 METHOD METHOD ============================================ METHOD Comments from T0186.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0186 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 T0186.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 183 METHOD METHOD ============================================ METHOD Comments from T0186.t2k.str.rdb METHOD ============================================ METHOD TARGET T0186 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 T0186.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 183 METHOD METHOD ============================================ MODEL 1 M C 0.75 I E 0.64 V E 0.76 E E 0.69 K E 0.60 V E 0.70 L E 0.91 I E 0.93 V E 0.91 D C 0.59 P C 0.92 I C 0.94 D C 0.90 G C 0.71 E E 0.73 F E 0.78 T E 0.74 G E 0.72 D E 0.88 V E 0.96 E E 0.97 I E 0.95 E E 0.79 E C 0.94 G C 0.93 K E 0.82 I E 0.96 V E 0.95 K E 0.92 V E 0.84 E E 0.75 K E 0.79 R E 0.81 E E 0.82 C C 0.51 I C 0.81 P C 0.94 R C 0.93 G C 0.70 V E 0.82 L E 0.86 M E 0.76 P E 0.49 G C 0.58 F E 0.55 V E 0.57 D C 0.47 P C 0.49 H C 0.46 I C 0.47 H C 0.49 G C 0.59 V C 0.64 V C 0.67 G C 0.63 A C 0.60 D C 0.57 T C 0.68 M C 0.74 N C 0.63 C H 0.52 D H 0.52 F H 0.77 S H 0.85 E H 0.92 M H 0.94 E H 0.96 E H 0.96 F H 0.95 L H 0.94 Y H 0.90 S H 0.72 Q C 0.69 G C 0.90 V C 0.70 T E 0.75 T E 0.82 F E 0.84 L E 0.74 A E 0.54 T C 0.57 T C 0.64 V C 0.72 S C 0.79 T C 0.87 S C 0.83 L H 0.61 E H 0.77 K H 0.83 M H 0.90 K H 0.93 E H 0.94 I H 0.94 L H 0.95 R H 0.95 K H 0.95 A H 0.95 R H 0.95 D H 0.95 Y H 0.94 I H 0.92 L H 0.85 E H 0.70 N H 0.54 P C 0.59 S C 0.66 T C 0.54 S C 0.44 L E 0.36 L E 0.44 G E 0.48 V E 0.56 H E 0.61 L E 0.58 E E 0.45 G C 0.69 P C 0.76 Y C 0.75 I C 0.76 S C 0.79 K C 0.49 E H 0.47 K C 0.49 K C 0.61 G C 0.71 A C 0.74 H C 0.79 S C 0.82 E C 0.67 K C 0.61 H C 0.61 I C 0.65 R C 0.64 P C 0.65 P C 0.70 S C 0.76 E H 0.84 R H 0.83 E H 0.84 L H 0.80 S H 0.67 E H 0.59 I C 0.49 D C 0.58 S C 0.65 P C 0.72 A C 0.61 K E 0.49 M E 0.59 L E 0.57 T E 0.51 F C 0.54 A C 0.79 P C 0.76 E C 0.72 I C 0.66 E C 0.64 S H 0.52 S H 0.78 E H 0.87 L H 0.90 L H 0.94 L H 0.95 R H 0.96 L H 0.96 V H 0.95 K H 0.88 R C 0.60 D C 0.97 I C 0.88 V E 0.65 L E 0.76 S E 0.73 A E 0.60 G C 0.54 H C 0.79 S C 0.84 I C 0.57 A H 0.50 T H 0.64 F H 0.91 E H 0.94 E H 0.95 F H 0.95 M H 0.96 K H 0.96 F H 0.96 Y H 0.95 K H 0.92 E C 0.51 G C 0.95 V C 0.92 K C 0.65 R E 0.69 I E 0.78 T E 0.82 H E 0.77 F E 0.53 P C 0.60 N C 0.63 G C 0.65 L C 0.61 K C 0.64 P C 0.62 L C 0.65 H C 0.70 H C 0.55 R C 0.53 E C 0.57 I C 0.63 G C 0.72 I C 0.55 T C 0.48 G C 0.47 A C 0.42 G E 0.39 L C 0.45 L C 0.62 L C 0.69 D C 0.68 D C 0.62 V C 0.49 K E 0.41 L E 0.55 E E 0.63 L E 0.66 I E 0.61 C E 0.49 D C 0.57 G C 0.60 V C 0.51 H C 0.54 L C 0.72 S C 0.86 R H 0.71 E H 0.69 M H 0.73 V C 0.49 K C 0.57 L H 0.57 V H 0.62 Y H 0.59 K H 0.48 V C 0.63 K C 0.66 K C 0.65 A C 0.54 N C 0.46 G H 0.43 I H 0.38 V E 0.40 L E 0.43 V H 0.43 T H 0.43 D H 0.45 S C 0.49 I C 0.62 S C 0.80 A C 0.74 A C 0.69 G C 0.68 L C 0.66 K C 0.61 D C 0.61 G C 0.65 T C 0.65 T C 0.60 T C 0.64 L C 0.72 G C 0.76 D C 0.74 L C 0.47 V E 0.71 V E 0.80 K E 0.79 V E 0.64 K C 0.64 D C 0.79 G C 0.65 V E 0.47 P E 0.56 R E 0.52 L C 0.53 E C 0.73 D C 0.83 G C 0.85 T C 0.83 L C 0.73 A C 0.64 G C 0.60 S C 0.50 T H 0.47 L H 0.46 F C 0.48 F H 0.94 S H 0.97 Q H 0.97 A H 0.97 V H 0.97 K H 0.97 N H 0.96 F H 0.95 R H 0.94 K H 0.89 F H 0.62 T C 0.74 G C 0.93 C C 0.92 S C 0.93 I H 0.94 T H 0.96 E H 0.97 L H 0.97 A H 0.97 K H 0.96 V H 0.94 S H 0.87 S H 0.74 Y H 0.65 N H 0.58 S H 0.92 C H 0.95 V H 0.95 E H 0.91 L H 0.51 G C 0.95 L C 0.93 D C 0.87 D C 0.82 R C 0.72 G C 0.56 R E 0.58 I E 0.60 A C 0.63 E C 0.78 G C 0.84 T C 0.75 R C 0.69 A C 0.67 D C 0.52 L E 0.95 V E 0.98 L E 0.98 L E 0.93 D C 0.64 E C 0.94 D C 0.95 L C 0.90 N C 0.78 V E 0.72 V E 0.90 M E 0.95 T E 0.96 I E 0.94 K E 0.85 E C 0.81 G C 0.86 E E 0.71 V E 0.92 V E 0.90 F E 0.82 R E 0.52 S C 0.76 R C 0.97 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:04:29 2002 Date: Wed, 21 Aug 2002 12:04:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 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 Wed Aug 21 11:36:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_516860_29973 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS189_1 Current information on models submitted in prediction T0186TS189 MODEL_INDEX PIN CODE DATE E-mail T0186TS189_1 PIN_516860_29973 5035-2079-5263 08/21/02 11:36:32 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS189_1 PIN_516860_29973 5035-2079-5263 08/21/02 11:36:32 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0186 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1GKP_A # Loading PARENT structure: 1gkp (chain: A) # Number of residues in PARENT structure: 457 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue K 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue N 200 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # IMPORTANT NOTE! Not complete main chain atoms for residue T 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue K 275 # IMPORTANT NOTE! Not complete main chain atoms for residue V 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue G 279 # IMPORTANT NOTE! Not complete main chain atoms for residue V 280 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # IMPORTANT NOTE! Not complete main chain atoms for residue S 363 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 345 # Total number of atoms in model: 345 # Number of atoms with 1.0 occupancy: 345 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 345 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1GKP_A ATOM 3 CA MET 1 50.936 97.209 55.849 1.00 1.00 ATOM 4 CA ILE 2 50.666 97.095 52.071 1.00 1.00 ATOM 5 CA VAL 3 47.499 95.739 50.452 1.00 1.00 ATOM 6 CA GLU 4 48.386 95.388 46.823 1.00 1.00 ATOM 7 CA LYS 5 46.675 94.325 43.550 1.00 1.00 ATOM 8 CA VAL 6 43.095 94.652 44.902 1.00 1.00 ATOM 9 CA LEU 7 40.038 96.358 43.566 1.00 1.00 ATOM 10 CA ILE 8 39.246 99.059 46.147 1.00 1.00 ATOM 11 CA VAL 9 35.502 99.601 46.611 1.00 1.00 ATOM 12 CA ASP 10 34.000 102.284 48.832 1.00 1.00 ATOM 13 CA PRO 11 30.580 103.916 48.817 1.00 1.00 ATOM 14 CA ASP 13 31.890 106.404 46.230 1.00 1.00 ATOM 15 CA GLY 14 34.900 104.835 44.513 1.00 1.00 ATOM 16 CA GLU 15 35.890 101.647 42.639 1.00 1.00 ATOM 17 CA PHE 16 39.465 101.347 41.303 1.00 1.00 ATOM 18 CA THR 17 42.528 99.129 41.224 1.00 1.00 ATOM 19 CA GLY 18 45.394 100.468 43.274 1.00 1.00 ATOM 20 CA ASP 19 47.540 99.618 46.302 1.00 1.00 ATOM 21 CA VAL 20 47.178 100.852 49.866 1.00 1.00 ATOM 22 CA GLU 21 50.122 101.472 52.196 1.00 1.00 ATOM 23 CA ILE 22 49.789 102.177 55.911 1.00 1.00 ATOM 24 CA GLU 23 53.016 103.042 57.856 1.00 1.00 ATOM 25 CA GLU 24 51.245 102.324 61.065 1.00 1.00 ATOM 26 CA GLY 25 47.631 102.716 62.178 1.00 1.00 ATOM 27 CA LYS 26 46.404 104.934 59.331 1.00 1.00 ATOM 28 CA ILE 27 46.521 104.878 55.516 1.00 1.00 ATOM 29 CA VAL 28 49.557 106.759 54.346 1.00 1.00 ATOM 30 CA LYS 29 49.380 106.569 50.572 1.00 1.00 ATOM 31 CA VAL 30 47.339 105.074 47.785 1.00 1.00 ATOM 32 CA GLU 31 48.660 104.517 44.261 1.00 1.00 ATOM 42 CA LYS 32 53.461 92.930 55.963 1.00 1.00 ATOM 43 CA ARG 33 52.252 92.498 52.357 1.00 1.00 ATOM 44 CA GLU 34 48.728 91.270 51.496 1.00 1.00 ATOM 45 CA CYS 35 48.133 90.180 47.919 1.00 1.00 ATOM 46 CA ILE 36 44.555 91.187 47.076 1.00 1.00 ATOM 47 CA PRO 37 44.705 90.074 43.425 1.00 1.00 ATOM 48 CA ARG 38 41.230 89.086 42.248 1.00 1.00 ATOM 49 CA GLY 39 39.624 90.350 45.436 1.00 1.00 ATOM 50 CA VAL 40 37.821 93.472 46.644 1.00 1.00 ATOM 51 CA LEU 41 39.159 95.826 49.271 1.00 1.00 ATOM 52 CA MET 42 36.377 97.366 51.348 1.00 1.00 ATOM 53 CA PRO 43 36.338 99.631 54.422 1.00 1.00 ATOM 54 CA GLY 44 36.017 97.697 57.595 1.00 1.00 ATOM 55 CA PHE 45 32.279 97.114 58.235 1.00 1.00 ATOM 56 CA VAL 46 30.528 98.665 61.224 1.00 1.00 ATOM 57 CA ASP 47 27.681 97.240 63.314 1.00 1.00 ATOM 58 CA PRO 48 25.817 100.036 65.096 1.00 1.00 ATOM 59 CA HIS 49 23.693 97.791 67.122 1.00 1.00 ATOM 60 CA ILE 50 24.915 94.882 69.273 1.00 1.00 ATOM 61 CA HIS 51 24.478 93.465 72.741 1.00 1.00 ATOM 62 CA GLY 52 27.632 91.972 74.401 1.00 1.00 ATOM 63 CA VAL 53 27.108 92.441 78.113 1.00 1.00 ATOM 64 CA VAL 54 23.332 92.103 78.777 1.00 1.00 ATOM 65 CA GLY 55 21.547 90.830 81.853 1.00 1.00 ATOM 66 CA ALA 56 18.425 88.884 81.385 1.00 1.00 ATOM 67 CA ASP 57 15.881 88.169 84.144 1.00 1.00 ATOM 68 CA THR 58 18.114 85.759 86.122 1.00 1.00 ATOM 69 CA MET 59 20.798 85.145 83.504 1.00 1.00 ATOM 70 CA ASN 60 23.131 86.917 80.883 1.00 1.00 ATOM 73 CA CYS 61 29.139 86.801 74.207 1.00 1.00 ATOM 74 CA ASP 62 31.907 88.508 76.068 1.00 1.00 ATOM 75 CA PHE 63 33.846 91.372 74.523 1.00 1.00 ATOM 76 CA SER 64 36.514 88.797 73.621 1.00 1.00 ATOM 77 CA GLU 65 34.206 86.267 71.921 1.00 1.00 ATOM 78 CA MET 66 31.946 88.936 70.337 1.00 1.00 ATOM 79 CA GLU 67 34.716 91.014 68.831 1.00 1.00 ATOM 80 CA GLU 68 36.441 87.885 67.451 1.00 1.00 ATOM 81 CA PHE 69 33.132 86.844 65.877 1.00 1.00 ATOM 82 CA LEU 70 32.669 90.333 64.449 1.00 1.00 ATOM 83 CA TYR 71 36.115 90.396 62.828 1.00 1.00 ATOM 84 CA SER 72 35.712 86.913 61.297 1.00 1.00 ATOM 85 CA GLN 73 32.632 88.371 59.625 1.00 1.00 ATOM 86 CA GLY 74 34.397 91.524 58.372 1.00 1.00 ATOM 87 CA VAL 75 33.090 93.887 61.070 1.00 1.00 ATOM 88 CA THR 76 35.950 95.960 62.548 1.00 1.00 ATOM 89 CA THR 77 33.881 98.347 64.692 1.00 1.00 ATOM 90 CA PHE 78 30.765 97.635 66.784 1.00 1.00 ATOM 91 CA LEU 79 28.578 99.899 68.819 1.00 1.00 ATOM 92 CA ALA 80 27.101 98.263 71.932 1.00 1.00 ATOM 93 CA THR 81 23.936 99.237 73.655 1.00 1.00 ATOM 94 CA THR 82 24.855 100.166 77.215 1.00 1.00 ATOM 95 CA VAL 83 21.678 99.122 79.034 1.00 1.00 ATOM 96 CA SER 84 21.311 99.995 82.671 1.00 1.00 ATOM 97 CA THR 85 17.631 99.632 83.716 1.00 1.00 ATOM 98 CA SER 86 15.368 101.966 85.691 1.00 1.00 ATOM 99 CA LEU 87 16.594 100.182 88.770 1.00 1.00 ATOM 100 CA GLU 88 20.270 100.895 88.072 1.00 1.00 ATOM 101 CA LYS 89 22.350 104.067 88.364 1.00 1.00 ATOM 102 CA MET 90 23.065 105.241 84.810 1.00 1.00 ATOM 103 CA LYS 91 26.647 106.350 85.466 1.00 1.00 ATOM 104 CA GLU 92 27.410 103.115 87.324 1.00 1.00 ATOM 105 CA ILE 93 26.070 101.294 84.252 1.00 1.00 ATOM 106 CA LEU 94 28.223 103.167 81.837 1.00 1.00 ATOM 107 CA ARG 95 31.208 102.426 84.018 1.00 1.00 ATOM 108 CA LYS 96 30.287 98.759 84.266 1.00 1.00 ATOM 109 CA ALA 97 30.001 98.318 80.485 1.00 1.00 ATOM 110 CA ARG 98 33.251 100.180 79.947 1.00 1.00 ATOM 111 CA ASP 99 34.966 97.944 82.469 1.00 1.00 ATOM 112 CA TYR 100 33.871 94.796 80.680 1.00 1.00 ATOM 113 CA ILE 101 35.160 95.905 77.363 1.00 1.00 ATOM 114 CA LEU 102 38.338 97.549 78.591 1.00 1.00 ATOM 115 CA GLU 103 41.356 95.580 77.346 1.00 1.00 ATOM 116 CA ASN 104 39.136 92.818 76.120 1.00 1.00 ATOM 117 CA PRO 105 38.136 93.701 72.578 1.00 1.00 ATOM 118 CA THR 107 40.026 92.579 69.454 1.00 1.00 ATOM 119 CA SER 108 38.606 95.529 67.505 1.00 1.00 ATOM 120 CA LEU 109 37.441 99.084 68.142 1.00 1.00 ATOM 121 CA LEU 110 34.093 99.801 69.740 1.00 1.00 ATOM 122 CA GLY 111 31.868 102.344 71.407 1.00 1.00 ATOM 123 CA VAL 112 28.511 102.607 73.099 1.00 1.00 ATOM 124 CA HIS 113 25.044 104.108 72.808 1.00 1.00 ATOM 125 CA LEU 114 23.904 105.184 76.338 1.00 1.00 ATOM 126 CA GLU 115 20.513 103.903 77.488 1.00 1.00 ATOM 127 CA GLY 116 18.347 106.369 79.273 1.00 1.00 ATOM 128 CA PRO 117 15.903 104.216 81.104 1.00 1.00 ATOM 129 CA TYR 118 14.565 106.937 83.384 1.00 1.00 ATOM 130 CA ILE 119 14.903 110.736 83.762 1.00 1.00 ATOM 131 CA SER 120 15.050 111.775 87.418 1.00 1.00 ATOM 132 CA LYS 121 16.820 114.476 89.439 1.00 1.00 ATOM 133 CA GLU 122 20.243 112.738 89.081 1.00 1.00 ATOM 134 CA LYS 123 19.966 111.956 85.329 1.00 1.00 ATOM 135 CA LYS 124 21.045 115.129 83.716 1.00 1.00 ATOM 136 CA GLY 125 24.376 115.413 85.562 1.00 1.00 ATOM 152 CA ALA 126 12.937 102.477 74.747 1.00 1.00 ATOM 153 CA HIS 127 9.250 102.949 74.052 1.00 1.00 ATOM 154 CA SER 128 8.661 99.463 75.505 1.00 1.00 ATOM 155 CA GLU 129 9.517 97.342 78.536 1.00 1.00 ATOM 156 CA LYS 130 7.289 99.168 81.048 1.00 1.00 ATOM 157 CA HIS 131 8.879 100.044 84.443 1.00 1.00 ATOM 158 CA ILE 132 12.218 98.549 83.374 1.00 1.00 ATOM 159 CA ARG 133 13.474 100.337 80.264 1.00 1.00 ATOM 160 CA PRO 134 10.520 102.349 78.936 1.00 1.00 ATOM 161 CA PRO 135 10.370 106.084 79.300 1.00 1.00 ATOM 162 CA SER 136 7.144 108.032 79.604 1.00 1.00 ATOM 163 CA GLU 137 6.399 111.076 77.495 1.00 1.00 ATOM 164 CA ARG 138 7.792 113.552 80.061 1.00 1.00 ATOM 165 CA GLU 139 11.015 111.584 80.356 1.00 1.00 ATOM 166 CA LEU 140 11.316 111.246 76.616 1.00 1.00 ATOM 167 CA SER 141 10.812 114.988 76.231 1.00 1.00 ATOM 168 CA GLU 142 13.504 115.733 78.821 1.00 1.00 ATOM 169 CA ILE 143 15.918 113.274 77.233 1.00 1.00 ATOM 170 CA ASP 144 15.456 114.668 73.792 1.00 1.00 ATOM 176 CA SER 145 24.431 118.383 73.872 1.00 1.00 ATOM 177 CA PRO 146 24.440 117.630 70.220 1.00 1.00 ATOM 178 CA ALA 147 23.616 113.965 70.924 1.00 1.00 ATOM 179 CA LYS 148 21.718 111.630 68.543 1.00 1.00 ATOM 180 CA MET 149 18.912 109.664 70.158 1.00 1.00 ATOM 181 CA LEU 150 18.555 106.052 69.058 1.00 1.00 ATOM 182 CA THR 151 15.165 104.545 69.935 1.00 1.00 ATOM 183 CA PHE 152 13.419 101.180 70.220 1.00 1.00 ATOM 184 CA ALA 153 9.924 102.076 69.059 1.00 1.00 ATOM 185 CA PRO 154 7.012 99.963 70.303 1.00 1.00 ATOM 186 CA GLU 155 4.547 100.924 73.089 1.00 1.00 ATOM 187 CA ILE 156 5.211 99.805 76.654 1.00 1.00 ATOM 188 CA GLU 157 1.587 99.879 77.726 1.00 1.00 ATOM 189 CA SER 158 0.158 98.111 74.707 1.00 1.00 ATOM 190 CA SER 159 2.786 95.346 74.684 1.00 1.00 ATOM 192 CA GLU 160 -1.308 94.610 78.350 1.00 1.00 ATOM 193 CA LEU 161 -1.477 92.311 75.306 1.00 1.00 ATOM 194 CA LEU 162 1.169 90.006 76.821 1.00 1.00 ATOM 195 CA LEU 163 -0.902 89.705 79.977 1.00 1.00 ATOM 196 CA ARG 164 -4.176 89.183 78.148 1.00 1.00 ATOM 197 CA LEU 165 -2.704 86.436 75.956 1.00 1.00 ATOM 198 CA VAL 166 -1.199 84.614 78.944 1.00 1.00 ATOM 199 CA LYS 167 -4.540 84.906 80.769 1.00 1.00 ATOM 200 CA ARG 168 -6.173 83.050 77.881 1.00 1.00 ATOM 201 CA ASP 169 -3.565 80.205 78.045 1.00 1.00 ATOM 202 CA ILE 170 -1.802 81.391 74.940 1.00 1.00 ATOM 203 CA VAL 171 1.718 80.688 76.204 1.00 1.00 ATOM 204 CA LEU 172 3.772 79.298 73.343 1.00 1.00 ATOM 205 CA SER 173 6.272 81.253 71.277 1.00 1.00 ATOM 206 CA ALA 174 3.788 81.763 68.407 1.00 1.00 ATOM 207 CA GLY 175 1.961 84.409 70.511 1.00 1.00 ATOM 208 CA HIS 176 4.963 86.685 70.848 1.00 1.00 ATOM 242 CA SER 177 7.916 96.454 58.915 1.00 1.00 ATOM 243 CA ILE 178 6.022 98.589 56.451 1.00 1.00 ATOM 244 CA ALA 179 3.773 100.542 58.870 1.00 1.00 ATOM 245 CA THR 180 6.799 101.636 60.813 1.00 1.00 ATOM 246 CA PHE 181 8.745 102.476 57.698 1.00 1.00 ATOM 247 CA GLU 182 5.792 104.619 56.520 1.00 1.00 ATOM 248 CA GLU 183 5.826 106.549 59.776 1.00 1.00 ATOM 249 CA PHE 184 9.547 107.135 59.715 1.00 1.00 ATOM 250 CA MET 185 9.507 108.063 56.037 1.00 1.00 ATOM 251 CA LYS 186 6.700 110.571 56.529 1.00 1.00 ATOM 252 CA PHE 187 8.821 112.171 59.231 1.00 1.00 ATOM 253 CA TYR 188 11.878 112.206 57.001 1.00 1.00 ATOM 254 CA LYS 189 9.869 113.788 54.191 1.00 1.00 ATOM 255 CA GLU 190 8.540 116.603 56.360 1.00 1.00 ATOM 256 CA GLY 191 11.992 117.495 57.579 1.00 1.00 ATOM 257 CA VAL 192 12.428 115.703 60.835 1.00 1.00 ATOM 258 CA LYS 193 16.115 114.847 61.369 1.00 1.00 ATOM 259 CA ARG 194 15.382 111.118 61.792 1.00 1.00 ATOM 260 CA ILE 195 17.418 108.150 60.442 1.00 1.00 ATOM 261 CA THR 196 16.462 104.478 60.056 1.00 1.00 ATOM 262 CA HIS 197 18.267 101.271 60.874 1.00 1.00 ATOM 263 CA PHE 198 17.096 97.815 59.990 1.00 1.00 ATOM 264 CA PRO 199 18.743 94.647 61.253 1.00 1.00 ATOM 265 CA ASN 200 19.639 91.562 59.248 1.00 1.00 ATOM 266 CA GLY 201 17.151 89.040 60.632 1.00 1.00 ATOM 267 CA LEU 202 14.220 91.199 59.427 1.00 1.00 ATOM 268 CA LYS 203 15.538 91.042 55.800 1.00 1.00 ATOM 269 CA PRO 204 15.909 87.281 55.766 1.00 1.00 ATOM 270 CA LEU 205 13.717 85.683 58.402 1.00 1.00 ATOM 271 CA HIS 206 9.955 85.839 58.932 1.00 1.00 ATOM 272 CA HIS 207 7.319 85.236 61.598 1.00 1.00 ATOM 273 CA ARG 208 6.728 81.547 60.581 1.00 1.00 ATOM 274 CA GLU 209 10.108 80.721 62.076 1.00 1.00 ATOM 275 CA ILE 210 8.679 81.603 65.486 1.00 1.00 ATOM 276 CA GLY 211 5.588 79.460 64.726 1.00 1.00 ATOM 277 CA ILE 212 7.667 76.272 64.545 1.00 1.00 ATOM 278 CA THR 213 6.932 75.328 68.200 1.00 1.00 ATOM 279 CA GLY 214 9.300 74.554 71.025 1.00 1.00 ATOM 280 CA ALA 215 12.827 75.606 71.333 1.00 1.00 ATOM 281 CA GLY 216 13.173 75.724 67.528 1.00 1.00 ATOM 282 CA LEU 217 10.736 78.638 67.549 1.00 1.00 ATOM 283 CA SER 234 12.279 80.221 70.614 1.00 1.00 ATOM 284 CA ARG 235 15.550 80.600 68.697 1.00 1.00 ATOM 285 CA GLU 236 13.736 83.124 66.507 1.00 1.00 ATOM 286 CA MET 237 12.045 85.212 69.229 1.00 1.00 ATOM 287 CA VAL 238 13.399 88.819 69.238 1.00 1.00 ATOM 288 CA LYS 239 11.790 92.228 69.574 1.00 1.00 ATOM 289 CA LEU 240 10.571 93.648 67.405 1.00 1.00 ATOM 290 CA VAL 241 9.355 90.228 66.282 1.00 1.00 ATOM 291 CA TYR 242 10.072 88.579 62.995 1.00 1.00 ATOM 292 CA LYS 243 7.276 89.725 60.757 1.00 1.00 ATOM 293 CA VAL 244 5.115 88.541 57.879 1.00 1.00 ATOM 294 CA LYS 245 7.474 87.811 54.955 1.00 1.00 ATOM 295 CA LYS 246 5.787 90.568 52.893 1.00 1.00 ATOM 296 CA ALA 247 7.980 92.987 54.837 1.00 1.00 ATOM 297 CA ASN 248 11.228 91.628 53.420 1.00 1.00 ATOM 298 CA GLY 249 10.769 93.085 49.946 1.00 1.00 ATOM 299 CA ILE 250 9.721 96.348 51.568 1.00 1.00 ATOM 300 CA VAL 251 12.953 96.519 53.572 1.00 1.00 ATOM 301 CA LEU 252 15.190 95.425 50.646 1.00 1.00 ATOM 302 CA VAL 253 13.582 97.899 48.283 1.00 1.00 ATOM 303 CA THR 254 13.944 100.696 50.861 1.00 1.00 ATOM 304 CA ASP 255 17.574 99.749 51.474 1.00 1.00 ATOM 305 CA SER 256 18.409 99.833 47.795 1.00 1.00 ATOM 306 CA ILE 257 17.099 103.417 47.591 1.00 1.00 ATOM 307 CA SER 258 18.852 104.567 50.771 1.00 1.00 ATOM 308 CA ALA 259 15.579 105.003 52.685 1.00 1.00 ATOM 309 CA ALA 260 17.003 102.671 55.270 1.00 1.00 ATOM 310 CA GLY 261 20.305 104.264 56.279 1.00 1.00 ATOM 311 CA LEU 262 22.110 101.458 58.112 1.00 1.00 ATOM 312 CA LYS 263 22.104 97.734 58.571 1.00 1.00 ATOM 313 CA ASP 264 22.979 96.385 61.985 1.00 1.00 ATOM 314 CA GLY 265 22.293 93.095 63.768 1.00 1.00 ATOM 315 CA THR 266 20.758 93.676 67.135 1.00 1.00 ATOM 316 CA THR 267 23.133 90.787 67.958 1.00 1.00 ATOM 317 CA THR 268 21.853 89.247 71.044 1.00 1.00 ATOM 318 CA LEU 269 22.978 85.604 71.641 1.00 1.00 ATOM 319 CA GLY 270 21.498 83.091 73.951 1.00 1.00 ATOM 320 CA ASP 271 21.954 79.319 74.252 1.00 1.00 ATOM 321 CA LEU 272 19.000 77.079 73.555 1.00 1.00 ATOM 322 CA VAL 273 18.981 76.199 77.256 1.00 1.00 ATOM 323 CA VAL 274 18.507 79.806 78.022 1.00 1.00 ATOM 324 CA LYS 275 15.747 80.120 75.368 1.00 1.00 ATOM 326 CA VAL 276 13.561 79.496 80.284 1.00 1.00 ATOM 327 CA LYS 277 10.446 80.577 78.323 1.00 1.00 ATOM 328 CA ASP 278 8.920 77.098 78.052 1.00 1.00 ATOM 329 CA GLY 279 5.928 77.999 80.290 1.00 1.00 ATOM 330 CA VAL 280 5.313 81.602 79.086 1.00 1.00 ATOM 331 CA PRO 281 6.561 83.355 75.926 1.00 1.00 ATOM 332 CA ARG 282 7.219 86.492 77.987 1.00 1.00 ATOM 333 CA LEU 283 10.055 84.560 79.699 1.00 1.00 ATOM 334 CA GLU 284 11.934 83.634 76.511 1.00 1.00 ATOM 335 CA ASP 285 15.120 85.736 76.377 1.00 1.00 ATOM 336 CA GLY 286 14.695 87.791 73.258 1.00 1.00 ATOM 337 CA THR 287 17.443 87.900 70.632 1.00 1.00 ATOM 338 CA LEU 288 19.009 86.274 67.628 1.00 1.00 ATOM 339 CA ALA 289 22.755 86.155 67.024 1.00 1.00 ATOM 340 CA GLY 290 24.075 87.753 63.897 1.00 1.00 ATOM 341 CA SER 291 27.275 89.748 64.447 1.00 1.00 ATOM 342 CA THR 292 29.468 87.348 62.427 1.00 1.00 ATOM 343 CA LEU 293 27.139 86.828 59.494 1.00 1.00 ATOM 344 CA PHE 294 25.799 90.301 58.701 1.00 1.00 ATOM 345 CA PHE 295 28.245 91.302 55.985 1.00 1.00 ATOM 346 CA SER 296 28.211 87.902 54.213 1.00 1.00 ATOM 347 CA GLN 297 24.440 87.839 54.317 1.00 1.00 ATOM 348 CA ALA 298 24.082 91.318 52.959 1.00 1.00 ATOM 349 CA VAL 299 26.665 90.800 50.245 1.00 1.00 ATOM 350 CA LYS 300 25.122 87.513 49.236 1.00 1.00 ATOM 351 CA ASN 301 21.412 88.197 49.255 1.00 1.00 ATOM 352 CA PHE 302 21.768 91.857 48.369 1.00 1.00 ATOM 353 CA ARG 303 24.746 92.235 45.990 1.00 1.00 ATOM 354 CA LYS 304 25.418 88.775 44.562 1.00 1.00 ATOM 355 CA PHE 305 21.809 87.537 44.215 1.00 1.00 ATOM 356 CA THR 306 19.807 90.648 44.599 1.00 1.00 ATOM 357 CA GLY 307 19.530 94.151 43.419 1.00 1.00 ATOM 358 CA CYS 308 21.516 95.958 46.107 1.00 1.00 ATOM 359 CA SER 309 24.288 97.933 44.490 1.00 1.00 ATOM 360 CA ILE 310 27.777 97.277 45.895 1.00 1.00 ATOM 361 CA THR 311 28.162 100.992 46.765 1.00 1.00 ATOM 362 CA GLU 312 24.926 100.979 48.741 1.00 1.00 ATOM 363 CA LEU 313 26.119 97.854 50.410 1.00 1.00 ATOM 364 CA ALA 314 29.327 99.594 51.612 1.00 1.00 ATOM 365 CA LYS 315 27.342 102.625 52.736 1.00 1.00 ATOM 366 CA VAL 316 24.701 100.690 54.531 1.00 1.00 ATOM 367 CA SER 317 27.038 98.298 56.223 1.00 1.00 ATOM 368 CA SER 318 29.944 100.715 57.035 1.00 1.00 ATOM 369 CA TYR 319 29.972 104.351 55.975 1.00 1.00 ATOM 370 CA ASN 320 26.598 105.702 57.065 1.00 1.00 ATOM 371 CA SER 321 26.795 104.336 60.514 1.00 1.00 ATOM 372 CA CYS 322 30.303 105.858 60.896 1.00 1.00 ATOM 373 CA VAL 323 28.924 109.223 59.806 1.00 1.00 ATOM 374 CA GLU 324 25.859 109.199 62.029 1.00 1.00 ATOM 375 CA LEU 325 27.689 108.227 65.142 1.00 1.00 ATOM 376 CA GLY 326 30.803 110.375 64.875 1.00 1.00 ATOM 377 CA LEU 327 33.218 107.657 63.879 1.00 1.00 ATOM 378 CA ASP 328 33.881 109.116 60.345 1.00 1.00 ATOM 379 CA ASP 329 36.290 109.808 58.885 1.00 1.00 ATOM 380 CA ARG 330 38.469 107.725 61.183 1.00 1.00 ATOM 382 CA GLY 331 33.935 103.950 57.450 1.00 1.00 ATOM 383 CA ARG 332 35.903 104.543 54.347 1.00 1.00 ATOM 384 CA ILE 333 39.189 104.136 52.563 1.00 1.00 ATOM 385 CA ALA 334 41.189 107.314 52.364 1.00 1.00 ATOM 386 CA GLU 335 44.621 108.691 53.299 1.00 1.00 ATOM 387 CA GLY 336 44.476 109.446 57.039 1.00 1.00 ATOM 388 CA THR 337 41.736 107.063 57.917 1.00 1.00 ATOM 389 CA ARG 338 42.273 104.165 60.262 1.00 1.00 ATOM 390 CA ALA 339 43.663 101.152 58.322 1.00 1.00 ATOM 391 CA ASP 340 40.564 99.027 59.031 1.00 1.00 ATOM 392 CA LEU 341 40.259 97.020 55.793 1.00 1.00 ATOM 393 CA VAL 342 38.589 93.916 54.462 1.00 1.00 ATOM 394 CA LEU 343 40.050 91.910 51.567 1.00 1.00 ATOM 395 CA LEU 344 36.882 90.176 50.447 1.00 1.00 ATOM 396 CA ASP 345 36.831 87.047 48.252 1.00 1.00 ATOM 397 CA GLU 346 34.026 87.150 45.642 1.00 1.00 ATOM 398 CA ASP 347 34.854 83.602 44.468 1.00 1.00 ATOM 399 CA LEU 348 34.216 82.082 47.854 1.00 1.00 ATOM 425 CA ASN 349 33.796 85.924 52.663 1.00 1.00 ATOM 426 CA VAL 350 36.491 88.101 54.296 1.00 1.00 ATOM 427 CA VAL 351 39.892 86.622 53.527 1.00 1.00 ATOM 428 CA MET 352 41.880 89.273 55.390 1.00 1.00 ATOM 429 CA THR 353 40.672 91.831 57.956 1.00 1.00 ATOM 430 CA ILE 354 42.796 94.538 59.560 1.00 1.00 ATOM 431 CA LYS 355 42.353 96.786 62.567 1.00 1.00 ATOM 432 CA GLU 356 44.369 99.986 62.537 1.00 1.00 ATOM 433 CA GLY 357 47.027 98.392 60.321 1.00 1.00 ATOM 434 CA GLU 358 47.248 95.077 62.153 1.00 1.00 ATOM 435 CA VAL 359 46.031 91.857 60.579 1.00 1.00 ATOM 436 CA VAL 360 43.331 90.208 62.647 1.00 1.00 ATOM 437 CA PHE 361 42.121 87.682 60.074 1.00 1.00 ATOM 438 CA ARG 362 44.402 86.008 57.510 1.00 1.00 ATOM 439 CA SER 363 43.363 83.352 54.956 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:06:07 2002 Date: Wed, 21 Aug 2002 12:06:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 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 Wed Aug 21 11:37:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_526586_29977 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS189_2 Current information on models submitted in prediction T0186TS189 MODEL_INDEX PIN CODE DATE E-mail T0186TS189_2 PIN_526586_29977 5035-2079-5263 08/21/02 11:37:52 casp5@bialko.llnl.gov T0186TS189_1 PIN_516860_29973 5035-2079-5263 08/21/02 11:36:32 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS189_1 PIN_516860_29973 5035-2079-5263 08/21/02 11:36:32 casp5@bialko.llnl.gov T0186TS189_2 PIN_526586_29977 5035-2079-5263 08/21/02 11:37:52 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0186 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1FWC_C # Loading PARENT structure: 1fwc (chain: C) # Number of residues in PARENT structure: 565 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 10 # IMPORTANT NOTE! Not complete main chain atoms for residue P 11 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue M 90 # IMPORTANT NOTE! Not complete main chain atoms for residue K 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 201 # IMPORTANT NOTE! Not complete main chain atoms for residue L 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue P 204 # IMPORTANT NOTE! Not complete main chain atoms for residue L 205 # IMPORTANT NOTE! Not complete main chain atoms for residue H 206 # IMPORTANT NOTE! Not complete main chain atoms for residue H 207 # IMPORTANT NOTE! Not complete main chain atoms for residue R 208 # IMPORTANT NOTE! Not complete main chain atoms for residue E 209 # IMPORTANT NOTE! Not complete main chain atoms for residue I 210 # IMPORTANT NOTE! Not complete main chain atoms for residue G 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # IMPORTANT NOTE! Not complete main chain atoms for residue T 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue A 215 # IMPORTANT NOTE! Not complete main chain atoms for residue G 216 # IMPORTANT NOTE! Not complete main chain atoms for residue L 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue K 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue C 228 # IMPORTANT NOTE! Not complete main chain atoms for residue D 229 # IMPORTANT NOTE! Not complete main chain atoms for residue G 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue H 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue R 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue K 246 # IMPORTANT NOTE! Not complete main chain atoms for residue A 247 # IMPORTANT NOTE! Not complete main chain atoms for residue N 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue V 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue R 332 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 311 # Total number of atoms in model: 311 # Number of atoms with 1.0 occupancy: 311 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 311 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1FWC_C ATOM 68 CA MET 1 56.807 76.291 94.761 1.00 1.00 ATOM 69 CA ILE 2 55.416 78.406 97.563 1.00 1.00 ATOM 70 CA VAL 3 56.729 81.764 98.748 1.00 1.00 ATOM 71 CA GLU 4 55.649 81.936 102.391 1.00 1.00 ATOM 72 CA LYS 5 54.511 85.109 104.182 1.00 1.00 ATOM 73 CA VAL 6 55.340 87.468 101.330 1.00 1.00 ATOM 74 CA LEU 7 54.615 91.198 101.391 1.00 1.00 ATOM 75 CA ILE 8 53.421 91.812 97.840 1.00 1.00 ATOM 76 CA VAL 9 53.852 95.223 96.246 1.00 1.00 ATOM 77 CA ASP 10 52.099 95.441 92.890 1.00 1.00 ATOM 78 CA PRO 11 49.898 97.902 90.990 1.00 1.00 ATOM 79 CA ASP 13 46.753 96.313 92.484 1.00 1.00 ATOM 80 CA GLY 14 47.725 96.251 96.144 1.00 1.00 ATOM 81 CA GLU 15 50.244 95.975 98.959 1.00 1.00 ATOM 82 CA PHE 16 49.175 92.814 100.742 1.00 1.00 ATOM 83 CA THR 17 50.589 90.035 102.905 1.00 1.00 ATOM 84 CA GLY 18 50.013 86.519 101.504 1.00 1.00 ATOM 85 CA ASP 19 51.514 83.210 100.366 1.00 1.00 ATOM 86 CA VAL 20 52.249 82.851 96.655 1.00 1.00 ATOM 87 CA GLU 21 51.877 79.515 94.881 1.00 1.00 ATOM 88 CA ILE 22 53.707 78.718 91.623 1.00 1.00 ATOM 89 CA GLU 23 52.812 75.746 89.415 1.00 1.00 ATOM 90 CA GLU 24 54.172 74.850 85.957 1.00 1.00 ATOM 91 CA GLY 25 56.347 77.970 85.925 1.00 1.00 ATOM 92 CA LYS 26 53.319 80.227 86.348 1.00 1.00 ATOM 93 CA ILE 27 51.576 82.064 89.159 1.00 1.00 ATOM 94 CA VAL 28 49.028 79.619 90.509 1.00 1.00 ATOM 95 CA LYS 29 47.476 81.615 93.347 1.00 1.00 ATOM 96 CA VAL 30 47.910 84.385 95.897 1.00 1.00 ATOM 97 CA GLU 31 46.328 83.300 99.163 1.00 1.00 ATOM 117 CA LYS 32 59.654 73.489 97.249 1.00 1.00 ATOM 118 CA ARG 33 59.670 76.378 99.738 1.00 1.00 ATOM 119 CA GLU 34 61.081 79.899 99.598 1.00 1.00 ATOM 120 CA CYS 35 60.768 81.743 102.927 1.00 1.00 ATOM 121 CA ILE 36 59.589 85.299 102.194 1.00 1.00 ATOM 122 CA PRO 37 58.693 86.451 105.734 1.00 1.00 ATOM 123 CA ARG 38 60.129 89.923 106.230 1.00 1.00 ATOM 124 CA GLY 39 60.693 90.299 102.482 1.00 1.00 ATOM 125 CA VAL 40 58.905 92.248 99.756 1.00 1.00 ATOM 126 CA LEU 41 58.019 90.427 96.526 1.00 1.00 ATOM 127 CA MET 42 57.410 92.199 93.212 1.00 1.00 ATOM 128 CA PRO 43 56.982 91.258 89.544 1.00 1.00 ATOM 129 CA GLY 44 60.101 91.257 87.390 1.00 1.00 ATOM 130 CA PHE 45 60.830 94.560 85.670 1.00 1.00 ATOM 131 CA VAL 46 60.390 95.103 81.938 1.00 1.00 ATOM 132 CA ASP 47 62.829 97.382 80.079 1.00 1.00 ATOM 133 CA PRO 48 61.533 98.270 76.610 1.00 1.00 ATOM 134 CA HIS 49 64.472 100.413 75.514 1.00 1.00 ATOM 135 CA ILE 50 67.382 98.040 75.119 1.00 1.00 ATOM 136 CA HIS 51 70.309 98.580 72.716 1.00 1.00 ATOM 137 CA GLY 52 71.844 95.118 72.228 1.00 1.00 ATOM 138 CA VAL 53 75.395 96.492 72.293 1.00 1.00 ATOM 139 CA VAL 54 76.733 93.504 74.274 1.00 1.00 ATOM 140 CA GLY 55 75.298 90.314 75.836 1.00 1.00 ATOM 141 CA ALA 56 76.628 91.248 79.283 1.00 1.00 ATOM 142 CA ASP 57 73.734 93.725 79.602 1.00 1.00 ATOM 143 CA THR 58 71.351 90.814 80.291 1.00 1.00 ATOM 144 CA GLU 68 73.106 89.766 83.507 1.00 1.00 ATOM 145 CA PHE 69 73.357 93.378 84.646 1.00 1.00 ATOM 146 CA LEU 70 69.620 93.951 84.155 1.00 1.00 ATOM 147 CA TYR 71 68.620 90.610 85.701 1.00 1.00 ATOM 148 CA SER 72 70.688 91.391 88.797 1.00 1.00 ATOM 149 CA GLN 73 68.833 94.714 89.091 1.00 1.00 ATOM 150 CA GLY 74 65.452 92.965 89.017 1.00 1.00 ATOM 151 CA VAL 75 64.565 93.269 85.326 1.00 1.00 ATOM 152 CA THR 76 63.405 89.974 83.779 1.00 1.00 ATOM 153 CA THR 77 62.223 91.059 80.305 1.00 1.00 ATOM 154 CA PHE 78 64.264 93.032 77.771 1.00 1.00 ATOM 155 CA LEU 79 62.855 94.495 74.564 1.00 1.00 ATOM 156 CA ALA 80 65.089 96.324 72.132 1.00 1.00 ATOM 157 CA THR 81 67.262 95.877 69.079 1.00 1.00 ATOM 158 CA VAL 83 70.877 95.592 68.012 1.00 1.00 ATOM 159 CA SER 84 73.518 93.261 66.585 1.00 1.00 ATOM 160 CA THR 85 76.378 93.978 68.974 1.00 1.00 ATOM 161 CA SER 86 78.883 96.865 69.206 1.00 1.00 ATOM 162 CA LEU 87 78.207 98.254 65.708 1.00 1.00 ATOM 171 CA GLU 88 68.168 94.711 64.457 1.00 1.00 ATOM 172 CA LYS 89 68.319 95.284 60.658 1.00 1.00 ATOM 173 CA MET 90 66.796 92.663 58.394 1.00 1.00 ATOM 174 CA LYS 91 66.003 88.904 58.336 1.00 1.00 ATOM 175 CA GLU 92 69.601 87.663 58.614 1.00 1.00 ATOM 176 CA ILE 93 70.491 89.677 61.712 1.00 1.00 ATOM 177 CA LEU 94 67.052 89.144 63.225 1.00 1.00 ATOM 178 CA ARG 95 67.415 85.368 62.791 1.00 1.00 ATOM 179 CA LYS 96 70.914 85.476 64.298 1.00 1.00 ATOM 180 CA ALA 97 69.801 87.487 67.333 1.00 1.00 ATOM 181 CA ARG 98 66.773 85.259 67.915 1.00 1.00 ATOM 182 CA ASP 99 69.182 82.294 68.057 1.00 1.00 ATOM 183 CA TYR 100 71.573 84.150 70.402 1.00 1.00 ATOM 184 CA ILE 101 68.628 85.021 72.671 1.00 1.00 ATOM 185 CA LEU 102 68.342 81.371 73.811 1.00 1.00 ATOM 186 CA GLU 103 71.623 81.901 75.663 1.00 1.00 ATOM 187 CA ASN 104 70.325 84.817 77.754 1.00 1.00 ATOM 188 CA PRO 105 68.492 84.422 81.116 1.00 1.00 ATOM 189 CA SER 108 65.828 87.087 80.393 1.00 1.00 ATOM 190 CA LEU 109 62.666 87.160 78.236 1.00 1.00 ATOM 191 CA LEU 110 63.474 88.848 74.912 1.00 1.00 ATOM 192 CA GLY 111 61.607 90.539 72.077 1.00 1.00 ATOM 193 CA VAL 112 63.364 92.311 69.186 1.00 1.00 ATOM 194 CA HIS 113 62.743 95.583 67.315 1.00 1.00 ATOM 195 CA LEU 114 63.548 95.916 63.613 1.00 1.00 ATOM 196 CA GLU 115 64.547 99.007 61.616 1.00 1.00 ATOM 197 CA GLY 116 61.320 100.806 60.759 1.00 1.00 ATOM 198 CA PRO 117 62.854 103.640 58.721 1.00 1.00 ATOM 199 CA TYR 118 61.748 102.861 55.133 1.00 1.00 ATOM 200 CA ILE 119 59.079 104.126 52.739 1.00 1.00 ATOM 201 CA SER 120 58.591 100.685 51.160 1.00 1.00 ATOM 202 CA LYS 121 56.101 98.544 53.201 1.00 1.00 ATOM 203 CA GLU 122 57.428 95.176 52.032 1.00 1.00 ATOM 204 CA ARG 138 60.868 95.902 53.525 1.00 1.00 ATOM 205 CA GLU 139 59.081 96.197 56.892 1.00 1.00 ATOM 206 CA LEU 140 56.775 93.203 56.463 1.00 1.00 ATOM 207 CA SER 141 59.842 91.004 55.804 1.00 1.00 ATOM 208 CA GLU 142 61.342 91.997 59.140 1.00 1.00 ATOM 209 CA ILE 143 58.093 91.379 61.002 1.00 1.00 ATOM 210 CA ASP 144 57.704 87.998 59.286 1.00 1.00 ATOM 212 CA SER 145 60.506 87.720 64.023 1.00 1.00 ATOM 213 CA PRO 146 60.542 91.295 65.349 1.00 1.00 ATOM 214 CA ALA 147 57.738 92.318 67.729 1.00 1.00 ATOM 215 CA LYS 148 58.061 95.983 66.874 1.00 1.00 ATOM 216 CA MET 149 59.701 98.581 64.652 1.00 1.00 ATOM 218 CA THR 151 61.743 104.695 63.900 1.00 1.00 ATOM 219 CA PHE 152 64.941 106.594 64.615 1.00 1.00 ATOM 220 CA ALA 153 66.080 109.990 63.336 1.00 1.00 ATOM 221 CA PRO 154 69.605 108.623 62.666 1.00 1.00 ATOM 222 CA GLU 155 68.001 106.480 59.939 1.00 1.00 ATOM 223 CA ILE 156 65.611 109.302 58.956 1.00 1.00 ATOM 224 CA GLU 157 62.491 109.966 61.049 1.00 1.00 ATOM 225 CA SER 158 60.536 111.553 58.175 1.00 1.00 ATOM 226 CA SER 159 56.712 111.761 57.839 1.00 1.00 ATOM 227 CA GLU 160 56.888 109.235 54.982 1.00 1.00 ATOM 228 CA LEU 161 58.898 106.674 56.987 1.00 1.00 ATOM 229 CA LEU 162 56.650 107.171 60.038 1.00 1.00 ATOM 230 CA LEU 163 53.465 106.680 58.024 1.00 1.00 ATOM 231 CA ARG 164 54.886 103.535 56.386 1.00 1.00 ATOM 232 CA LEU 165 55.886 101.924 59.695 1.00 1.00 ATOM 233 CA VAL 166 52.502 102.663 61.288 1.00 1.00 ATOM 234 CA LYS 167 50.618 101.242 58.306 1.00 1.00 ATOM 239 CA ARG 168 50.589 92.988 61.682 1.00 1.00 ATOM 240 CA ASP 169 49.722 93.871 65.312 1.00 1.00 ATOM 241 CA ILE 170 53.198 95.015 66.359 1.00 1.00 ATOM 242 CA VAL 171 54.308 98.147 68.211 1.00 1.00 ATOM 243 CA LEU 172 56.204 101.175 66.889 1.00 1.00 ATOM 244 CA SER 173 58.736 103.021 69.048 1.00 1.00 ATOM 245 CA ALA 174 59.631 106.566 68.036 1.00 1.00 ATOM 246 CA GLY 175 62.680 108.776 68.305 1.00 1.00 ATOM 247 CA HIS 176 61.631 111.853 66.356 1.00 1.00 ATOM 251 CA SER 177 63.054 119.794 62.786 1.00 1.00 ATOM 252 CA ILE 178 64.416 118.991 59.322 1.00 1.00 ATOM 253 CA ALA 179 61.189 117.534 57.870 1.00 1.00 ATOM 254 CA THR 180 58.832 119.511 60.092 1.00 1.00 ATOM 255 CA PHE 181 58.105 120.467 63.692 1.00 1.00 ATOM 256 CA GLU 182 56.535 118.295 66.408 1.00 1.00 ATOM 257 CA GLU 183 53.051 119.125 65.094 1.00 1.00 ATOM 258 CA PHE 184 54.031 117.709 61.690 1.00 1.00 ATOM 259 CA MET 185 55.240 114.429 63.208 1.00 1.00 ATOM 260 CA LYS 186 52.065 114.182 65.291 1.00 1.00 ATOM 261 CA PHE 187 50.060 114.798 62.112 1.00 1.00 ATOM 262 CA TYR 188 51.998 112.032 60.331 1.00 1.00 ATOM 263 CA LYS 189 51.175 109.640 63.181 1.00 1.00 ATOM 264 CA GLU 190 47.533 110.523 62.571 1.00 1.00 ATOM 265 CA GLY 191 46.104 109.236 65.834 1.00 1.00 ATOM 266 CA VAL 192 47.594 105.764 65.473 1.00 1.00 ATOM 267 CA LYS 193 49.088 104.028 68.524 1.00 1.00 ATOM 268 CA ARG 194 52.772 104.677 69.117 1.00 1.00 ATOM 269 CA ILE 195 55.304 104.399 71.946 1.00 1.00 ATOM 270 CA THR 196 57.396 107.588 72.254 1.00 1.00 ATOM 271 CA HIS 197 60.892 106.902 73.632 1.00 1.00 ATOM 272 CA PHE 198 62.539 109.433 76.000 1.00 1.00 ATOM 273 CA GLY 201 59.642 111.857 75.641 1.00 1.00 ATOM 274 CA LEU 202 61.479 114.564 77.599 1.00 1.00 ATOM 275 CA LYS 203 63.839 115.002 74.641 1.00 1.00 ATOM 276 CA PRO 204 67.438 114.726 75.890 1.00 1.00 ATOM 277 CA LEU 205 67.663 111.226 74.414 1.00 1.00 ATOM 278 CA HIS 206 66.270 112.540 71.131 1.00 1.00 ATOM 279 CA HIS 207 63.296 114.297 69.596 1.00 1.00 ATOM 280 CA ARG 208 61.947 117.563 68.194 1.00 1.00 ATOM 281 CA GLU 209 63.777 120.397 69.931 1.00 1.00 ATOM 282 CA ILE 210 62.571 121.728 72.241 1.00 1.00 ATOM 283 CA GLY 211 58.939 120.562 72.420 1.00 1.00 ATOM 284 CA ILE 212 58.831 116.780 71.912 1.00 1.00 ATOM 285 CA THR 213 57.556 116.562 75.509 1.00 1.00 ATOM 286 CA GLY 214 54.144 117.898 74.389 1.00 1.00 ATOM 287 CA ALA 215 53.403 114.441 72.960 1.00 1.00 ATOM 288 CA GLY 216 52.187 113.220 76.391 1.00 1.00 ATOM 289 CA LEU 217 48.958 115.170 75.859 1.00 1.00 ATOM 290 CA LEU 219 47.678 112.810 73.162 1.00 1.00 ATOM 291 CA ASP 220 45.500 109.704 73.714 1.00 1.00 ATOM 292 CA ASP 221 47.380 107.535 71.174 1.00 1.00 ATOM 293 CA VAL 222 50.826 108.235 72.640 1.00 1.00 ATOM 294 CA LYS 223 52.324 105.885 75.251 1.00 1.00 ATOM 295 CA LEU 224 55.197 108.004 76.675 1.00 1.00 ATOM 296 CA GLU 225 58.332 106.789 78.425 1.00 1.00 ATOM 297 CA LEU 226 61.508 108.267 79.885 1.00 1.00 ATOM 298 CA ILE 227 65.043 106.938 79.569 1.00 1.00 ATOM 299 CA CYS 228 66.949 107.013 82.872 1.00 1.00 ATOM 300 CA ASP 229 69.879 109.430 82.919 1.00 1.00 ATOM 301 CA GLY 230 67.538 112.424 83.394 1.00 1.00 ATOM 302 CA VAL 231 65.764 110.688 86.304 1.00 1.00 ATOM 303 CA HIS 232 65.725 112.349 88.707 1.00 1.00 ATOM 304 CA LEU 233 66.927 115.923 88.185 1.00 1.00 ATOM 305 CA SER 234 70.169 116.316 90.184 1.00 1.00 ATOM 306 CA ARG 235 73.074 118.758 90.516 1.00 1.00 ATOM 307 CA GLU 236 75.361 116.807 88.161 1.00 1.00 ATOM 308 CA MET 237 72.768 115.940 85.484 1.00 1.00 ATOM 309 CA VAL 238 73.395 118.737 82.971 1.00 1.00 ATOM 330 CA LYS 239 77.559 120.564 68.771 1.00 1.00 ATOM 331 CA LEU 240 74.667 122.988 68.277 1.00 1.00 ATOM 332 CA VAL 241 72.147 120.167 67.848 1.00 1.00 ATOM 333 CA TYR 242 73.588 118.335 70.857 1.00 1.00 ATOM 334 CA LYS 243 73.054 121.440 72.994 1.00 1.00 ATOM 335 CA VAL 244 69.515 122.004 71.779 1.00 1.00 ATOM 336 CA LYS 245 68.631 118.605 73.283 1.00 1.00 ATOM 337 CA LYS 246 69.850 119.397 76.801 1.00 1.00 ATOM 338 CA ALA 247 67.409 121.693 78.604 1.00 1.00 ATOM 339 CA ASN 248 67.223 122.211 82.359 1.00 1.00 ATOM 340 CA GLY 249 63.576 123.273 81.904 1.00 1.00 ATOM 341 CA ILE 250 62.295 120.021 80.385 1.00 1.00 ATOM 342 CA VAL 251 64.546 117.837 82.562 1.00 1.00 ATOM 343 CA LEU 252 63.064 119.363 85.738 1.00 1.00 ATOM 344 CA VAL 253 59.452 119.157 84.455 1.00 1.00 ATOM 345 CA THR 254 59.792 115.480 83.514 1.00 1.00 ATOM 346 CA ASP 255 60.064 114.407 87.160 1.00 1.00 ATOM 347 CA SER 256 56.758 116.169 88.021 1.00 1.00 ATOM 351 CA ILE 257 51.265 113.275 87.946 1.00 1.00 ATOM 352 CA SER 258 50.940 110.186 85.769 1.00 1.00 ATOM 353 CA ALA 259 51.491 112.047 82.474 1.00 1.00 ATOM 354 CA ALA 260 54.573 109.923 81.672 1.00 1.00 ATOM 355 CA GLY 261 53.692 106.226 81.981 1.00 1.00 ATOM 356 CA LEU 262 56.939 104.234 81.636 1.00 1.00 ATOM 357 CA LYS 263 60.591 104.267 82.651 1.00 1.00 ATOM 358 CA ASP 264 63.295 102.507 80.629 1.00 1.00 ATOM 359 CA GLY 265 67.070 102.556 80.321 1.00 1.00 ATOM 360 CA THR 266 68.354 103.298 76.780 1.00 1.00 ATOM 361 CA THR 267 71.230 100.898 77.566 1.00 1.00 ATOM 362 CA GLY 286 74.707 102.231 76.746 1.00 1.00 ATOM 363 CA THR 287 73.229 104.814 74.337 1.00 1.00 ATOM 364 CA LEU 288 72.436 107.534 76.898 1.00 1.00 ATOM 365 CA ALA 289 71.106 105.241 79.628 1.00 1.00 ATOM 366 CA GLY 290 72.096 102.845 82.422 1.00 1.00 ATOM 367 CA SER 291 70.884 99.238 82.067 1.00 1.00 ATOM 368 CA THR 292 71.116 98.386 85.748 1.00 1.00 ATOM 369 CA LEU 293 69.415 101.535 87.011 1.00 1.00 ATOM 370 CA PHE 294 65.829 101.529 85.699 1.00 1.00 ATOM 371 CA PHE 295 64.201 100.393 88.966 1.00 1.00 ATOM 372 CA SER 296 66.607 102.309 91.215 1.00 1.00 ATOM 373 CA GLN 297 66.078 105.645 89.414 1.00 1.00 ATOM 374 CA ALA 298 62.284 105.215 89.289 1.00 1.00 ATOM 375 CA VAL 299 62.215 105.061 93.097 1.00 1.00 ATOM 376 CA LYS 300 64.625 107.977 93.429 1.00 1.00 ATOM 377 CA ASN 301 62.145 110.090 91.430 1.00 1.00 ATOM 378 CA PHE 302 59.270 108.975 93.700 1.00 1.00 ATOM 379 CA ARG 303 61.351 109.935 96.752 1.00 1.00 ATOM 380 CA LYS 304 62.331 113.342 95.347 1.00 1.00 ATOM 381 CA PHE 305 58.713 114.022 94.402 1.00 1.00 ATOM 396 CA THR 306 52.659 106.480 100.285 1.00 1.00 ATOM 397 CA GLY 307 50.830 103.389 99.014 1.00 1.00 ATOM 398 CA CYS 308 49.253 105.098 96.019 1.00 1.00 ATOM 399 CA SER 309 52.458 106.826 94.887 1.00 1.00 ATOM 400 CA ILE 310 54.200 103.444 95.182 1.00 1.00 ATOM 401 CA THR 311 51.550 101.712 93.015 1.00 1.00 ATOM 402 CA GLU 312 51.754 104.511 90.429 1.00 1.00 ATOM 403 CA LEU 313 55.538 104.212 90.156 1.00 1.00 ATOM 404 CA ALA 314 55.900 100.444 90.203 1.00 1.00 ATOM 405 CA LYS 315 53.468 100.334 87.261 1.00 1.00 ATOM 406 CA VAL 316 56.006 102.356 85.214 1.00 1.00 ATOM 407 CA SER 317 58.512 99.502 84.864 1.00 1.00 ATOM 408 CA SER 318 56.171 96.502 85.176 1.00 1.00 ATOM 409 CA TYR 319 52.586 96.415 83.821 1.00 1.00 ATOM 410 CA ASN 320 52.666 99.534 81.615 1.00 1.00 ATOM 411 CA SER 321 55.686 98.453 79.500 1.00 1.00 ATOM 412 CA CYS 322 53.952 95.060 79.145 1.00 1.00 ATOM 413 CA VAL 323 50.699 96.624 77.915 1.00 1.00 ATOM 414 CA GLU 324 52.550 98.967 75.564 1.00 1.00 ATOM 415 CA LEU 325 54.318 96.098 73.852 1.00 1.00 ATOM 416 CA GLY 326 51.552 93.483 73.766 1.00 1.00 ATOM 417 CA LEU 327 53.049 91.027 76.252 1.00 1.00 ATOM 418 CA ASP 328 50.855 91.708 79.310 1.00 1.00 ATOM 419 CA ASP 329 49.131 88.356 78.795 1.00 1.00 ATOM 420 CA ARG 330 52.409 86.640 79.738 1.00 1.00 ATOM 422 CA GLY 331 54.158 92.348 83.848 1.00 1.00 ATOM 423 CA ARG 332 52.497 91.685 87.191 1.00 1.00 ATOM 424 CA ILE 333 51.803 89.144 89.907 1.00 1.00 ATOM 425 CA ALA 334 48.514 87.758 88.676 1.00 1.00 ATOM 426 CA GLU 335 47.386 84.165 88.224 1.00 1.00 ATOM 427 CA GLY 336 48.319 82.634 84.890 1.00 1.00 ATOM 428 CA THR 337 51.285 84.904 84.245 1.00 1.00 ATOM 429 CA ARG 338 54.873 83.632 84.032 1.00 1.00 ATOM 430 CA ALA 339 56.430 83.338 87.485 1.00 1.00 ATOM 431 CA ASP 340 59.067 86.070 87.057 1.00 1.00 ATOM 432 CA LEU 341 59.410 87.306 90.636 1.00 1.00 ATOM 433 CA VAL 342 61.912 89.352 92.594 1.00 1.00 ATOM 434 CA LEU 343 62.358 89.012 96.361 1.00 1.00 ATOM 435 CA LEU 344 63.753 91.995 98.255 1.00 1.00 ATOM 436 CA ASP 345 64.872 92.693 101.786 1.00 1.00 ATOM 437 CA GLU 346 63.276 96.067 102.788 1.00 1.00 ATOM 438 CA ASP 347 66.673 97.661 103.529 1.00 1.00 ATOM 439 CA LEU 348 67.764 96.954 99.938 1.00 1.00 ATOM 443 CA ASN 349 70.057 94.750 95.425 1.00 1.00 ATOM 444 CA VAL 350 67.586 91.797 95.244 1.00 1.00 ATOM 445 CA VAL 351 67.699 88.785 97.558 1.00 1.00 ATOM 446 CA MET 352 66.432 86.395 94.844 1.00 1.00 ATOM 447 CA THR 353 65.477 86.687 91.162 1.00 1.00 ATOM 448 CA ILE 354 63.086 84.004 89.927 1.00 1.00 ATOM 449 CA LYS 355 62.609 83.284 86.203 1.00 1.00 ATOM 450 CA GLU 356 59.761 81.055 85.094 1.00 1.00 ATOM 451 CA GLY 357 59.563 79.335 88.459 1.00 1.00 ATOM 452 CA GLU 358 63.292 78.749 88.947 1.00 1.00 ATOM 453 CA VAL 359 65.821 80.968 90.728 1.00 1.00 ATOM 454 CA VAL 360 68.067 82.366 87.951 1.00 1.00 ATOM 455 CA PHE 361 70.468 84.611 89.886 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 21 12:07:29 2002 Date: Wed, 21 Aug 2002 12:07:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0186 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 Wed Aug 21 11:39:28 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_543990_29982 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0186TS189_3 Current information on models submitted in prediction T0186TS189 MODEL_INDEX PIN CODE DATE E-mail T0186TS189_3 PIN_543990_29982 5035-2079-5263 08/21/02 11:39:28 casp5@bialko.llnl.gov T0186TS189_2 PIN_526586_29977 5035-2079-5263 08/21/02 11:37:52 casp5@bialko.llnl.gov T0186TS189_1 PIN_516860_29973 5035-2079-5263 08/21/02 11:36:32 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0186 MODEL_INDEX PIN CODE DATE E-mail T0186TS189_1 PIN_516860_29973 5035-2079-5263 08/21/02 11:36:32 casp5@bialko.llnl.gov T0186TS189_2 PIN_526586_29977 5035-2079-5263 08/21/02 11:37:52 casp5@bialko.llnl.gov T0186TS189_3 PIN_543990_29982 5035-2079-5263 08/21/02 11:39:28 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 T0186 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1K6W_A # Loading PARENT structure: 1k6w (chain: A) # Number of residues in PARENT structure: 423 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # 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 V 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue D 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue E 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 17 # IMPORTANT NOTE! Not complete main chain atoms for residue G 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 G 25 # IMPORTANT NOTE! Not complete main chain atoms for residue K 26 # IMPORTANT NOTE! Not complete main chain atoms for residue I 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue V 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue R 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue C 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue R 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue V 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue M 42 # IMPORTANT NOTE! Not complete main chain atoms for residue P 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue P 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue H 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 52 # IMPORTANT NOTE! Not complete main chain atoms for residue V 53 # IMPORTANT NOTE! Not complete main chain atoms for residue V 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue C 61 # IMPORTANT NOTE! Not complete main chain atoms for residue D 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue M 66 # IMPORTANT NOTE! Not complete main chain atoms for residue E 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 71 # IMPORTANT NOTE! Not complete main chain atoms for residue S 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue T 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue F 78 # IMPORTANT NOTE! Not complete main chain atoms for residue L 79 # IMPORTANT NOTE! Not complete main chain atoms for residue A 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue T 82 # IMPORTANT NOTE! Not complete main chain atoms for residue V 83 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue T 85 # IMPORTANT NOTE! Not complete main chain atoms for residue S 86 # IMPORTANT NOTE! Not complete main chain atoms for residue L 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 89 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue P 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue T 107 # IMPORTANT NOTE! Not complete main chain atoms for residue S 108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 109 # IMPORTANT NOTE! Not complete main chain atoms for residue L 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue V 112 # IMPORTANT NOTE! Not complete main chain atoms for residue H 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue S 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue K 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue H 127 # IMPORTANT NOTE! Not complete main chain atoms for residue S 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue K 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue R 133 # IMPORTANT NOTE! Not complete main chain atoms for residue P 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue S 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue R 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue I 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue S 145 # IMPORTANT NOTE! Not complete main chain atoms for residue P 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue K 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue T 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue A 153 # IMPORTANT NOTE! Not complete main chain atoms for residue P 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue I 156 # IMPORTANT NOTE! Not complete main chain atoms for residue E 157 # IMPORTANT NOTE! Not complete main chain atoms for residue S 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 159 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue L 162 # IMPORTANT NOTE! Not complete main chain atoms for residue L 163 # IMPORTANT NOTE! Not complete main chain atoms for residue R 164 # IMPORTANT NOTE! Not complete main chain atoms for residue L 165 # IMPORTANT NOTE! Not complete main chain atoms for residue V 166 # IMPORTANT NOTE! Not complete main chain atoms for residue K 167 # IMPORTANT NOTE! Not complete main chain atoms for residue R 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 169 # IMPORTANT NOTE! Not complete main chain atoms for residue I 170 # IMPORTANT NOTE! Not complete main chain atoms for residue V 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue S 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue G 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue S 177 # IMPORTANT NOTE! Not complete main chain atoms for residue I 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue F 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue M 185 # IMPORTANT NOTE! Not complete main chain atoms for residue K 186 # IMPORTANT NOTE! Not complete main chain atoms for residue F 187 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 188 # IMPORTANT NOTE! Not complete main chain atoms for residue K 189 # IMPORTANT NOTE! Not complete main chain atoms for residue E 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue V 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue R 194 # IMPORTANT NOTE! Not complete main chain atoms for residue I 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue M 237 # IMPORTANT NOTE! Not complete main chain atoms for residue V 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue V 241 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue V 244 # IMPORTANT NOTE! Not complete main chain atoms for residue K 245 # IMPORTANT NOTE! Not complete main chain atoms for residue V 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue I 257 # IMPORTANT NOTE! Not complete main chain atoms for residue S 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue A 260 # IMPORTANT NOTE! Not complete main chain atoms for residue G 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue K 263 # IMPORTANT NOTE! Not complete main chain atoms for residue D 264 # IMPORTANT NOTE! Not complete main chain atoms for residue G 265 # IMPORTANT NOTE! Not complete main chain atoms for residue T 266 # IMPORTANT NOTE! Not complete main chain atoms for residue T 267 # IMPORTANT NOTE! Not complete main chain atoms for residue T 268 # IMPORTANT NOTE! Not complete main chain atoms for residue L 269 # IMPORTANT NOTE! Not complete main chain atoms for residue G 270 # IMPORTANT NOTE! Not complete main chain atoms for residue D 271 # IMPORTANT NOTE! Not complete main chain atoms for residue L 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue K 275 # IMPORTANT NOTE! Not complete main chain atoms for residue V 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue P 281 # IMPORTANT NOTE! Not complete main chain atoms for residue R 282 # IMPORTANT NOTE! Not complete main chain atoms for residue L 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue T 287 # IMPORTANT NOTE! Not complete main chain atoms for residue L 288 # IMPORTANT NOTE! Not complete main chain atoms for residue A 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 290 # IMPORTANT NOTE! Not complete main chain atoms for residue S 291 # IMPORTANT NOTE! Not complete main chain atoms for residue T 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue F 294 # IMPORTANT NOTE! Not complete main chain atoms for residue F 295 # IMPORTANT NOTE! Not complete main chain atoms for residue S 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 297 # IMPORTANT NOTE! Not complete main chain atoms for residue A 298 # IMPORTANT NOTE! Not complete main chain atoms for residue V 299 # IMPORTANT NOTE! Not complete main chain atoms for residue K 300 # IMPORTANT NOTE! Not complete main chain atoms for residue N 301 # IMPORTANT NOTE! Not complete main chain atoms for residue F 302 # IMPORTANT NOTE! Not complete main chain atoms for residue R 303 # IMPORTANT NOTE! Not complete main chain atoms for residue K 304 # IMPORTANT NOTE! Not complete main chain atoms for residue F 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue G 307 # IMPORTANT NOTE! Not complete main chain atoms for residue C 308 # IMPORTANT NOTE! Not complete main chain atoms for residue S 309 # IMPORTANT NOTE! Not complete main chain atoms for residue I 310 # IMPORTANT NOTE! Not complete main chain atoms for residue T 311 # IMPORTANT NOTE! Not complete main chain atoms for residue E 312 # IMPORTANT NOTE! Not complete main chain atoms for residue L 313 # IMPORTANT NOTE! Not complete main chain atoms for residue A 314 # IMPORTANT NOTE! Not complete main chain atoms for residue K 315 # IMPORTANT NOTE! Not complete main chain atoms for residue V 316 # IMPORTANT NOTE! Not complete main chain atoms for residue S 317 # IMPORTANT NOTE! Not complete main chain atoms for residue S 318 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 319 # IMPORTANT NOTE! Not complete main chain atoms for residue N 320 # IMPORTANT NOTE! Not complete main chain atoms for residue S 321 # IMPORTANT NOTE! Not complete main chain atoms for residue C 322 # IMPORTANT NOTE! Not complete main chain atoms for residue V 323 # IMPORTANT NOTE! Not complete main chain atoms for residue E 324 # IMPORTANT NOTE! Not complete main chain atoms for residue L 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue L 327 # IMPORTANT NOTE! Not complete main chain atoms for residue D 328 # IMPORTANT NOTE! Not complete main chain atoms for residue D 329 # IMPORTANT NOTE! Not complete main chain atoms for residue R 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 333 # IMPORTANT NOTE! Not complete main chain atoms for residue A 334 # IMPORTANT NOTE! Not complete main chain atoms for residue E 335 # IMPORTANT NOTE! Not complete main chain atoms for residue G 336 # IMPORTANT NOTE! Not complete main chain atoms for residue T 337 # IMPORTANT NOTE! Not complete main chain atoms for residue R 338 # IMPORTANT NOTE! Not complete main chain atoms for residue A 339 # IMPORTANT NOTE! Not complete main chain atoms for residue D 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue V 342 # IMPORTANT NOTE! Not complete main chain atoms for residue L 343 # IMPORTANT NOTE! Not complete main chain atoms for residue L 344 # IMPORTANT NOTE! Not complete main chain atoms for residue D 345 # IMPORTANT NOTE! Not complete main chain atoms for residue E 346 # IMPORTANT NOTE! Not complete main chain atoms for residue D 347 # IMPORTANT NOTE! Not complete main chain atoms for residue L 348 # IMPORTANT NOTE! Not complete main chain atoms for residue N 349 # IMPORTANT NOTE! Not complete main chain atoms for residue V 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue M 352 # IMPORTANT NOTE! Not complete main chain atoms for residue T 353 # IMPORTANT NOTE! Not complete main chain atoms for residue I 354 # IMPORTANT NOTE! Not complete main chain atoms for residue K 355 # IMPORTANT NOTE! Not complete main chain atoms for residue E 356 # IMPORTANT NOTE! Not complete main chain atoms for residue G 357 # IMPORTANT NOTE! Not complete main chain atoms for residue E 358 # IMPORTANT NOTE! Not complete main chain atoms for residue V 359 # IMPORTANT NOTE! Not complete main chain atoms for residue V 360 # IMPORTANT NOTE! Not complete main chain atoms for residue F 361 # IMPORTANT NOTE! Not complete main chain atoms for residue R 362 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0186 # Total number of residues in target: 364 # Total number of residues in model: 308 # Total number of atoms in model: 308 # Number of atoms with 1.0 occupancy: 308 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 308 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0186 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1K6W_A ATOM 7 CA ILE 2 43.778 37.907 103.332 1.00 1.00 ATOM 8 CA VAL 3 41.614 36.397 106.067 1.00 1.00 ATOM 9 CA GLU 4 43.877 35.803 109.077 1.00 1.00 ATOM 10 CA LYS 5 43.726 33.966 112.389 1.00 1.00 ATOM 11 CA VAL 6 40.992 31.657 111.151 1.00 1.00 ATOM 12 CA LEU 7 39.878 28.431 112.805 1.00 1.00 ATOM 13 CA ILE 8 38.477 25.772 110.463 1.00 1.00 ATOM 14 CA VAL 9 36.135 22.918 111.397 1.00 1.00 ATOM 15 CA ASP 13 37.979 19.654 111.951 1.00 1.00 ATOM 16 CA GLY 14 41.371 21.333 111.752 1.00 1.00 ATOM 17 CA GLU 15 43.833 22.160 114.502 1.00 1.00 ATOM 18 CA PHE 16 45.263 25.636 114.955 1.00 1.00 ATOM 19 CA THR 17 44.908 28.867 113.022 1.00 1.00 ATOM 20 CA GLY 18 44.870 29.447 109.296 1.00 1.00 ATOM 21 CA ASP 19 45.471 32.177 106.759 1.00 1.00 ATOM 22 CA VAL 20 43.233 32.341 103.688 1.00 1.00 ATOM 23 CA GLU 21 44.781 34.254 100.791 1.00 1.00 ATOM 24 CA ILE 22 42.487 35.986 98.323 1.00 1.00 ATOM 25 CA GLU 23 43.068 37.087 94.743 1.00 1.00 ATOM 26 CA GLU 24 40.676 38.277 92.046 1.00 1.00 ATOM 27 CA GLY 25 37.621 37.373 94.111 1.00 1.00 ATOM 28 CA LYS 26 38.843 33.811 94.666 1.00 1.00 ATOM 29 CA ILE 27 40.725 31.890 97.346 1.00 1.00 ATOM 30 CA VAL 28 44.287 31.583 96.034 1.00 1.00 ATOM 31 CA LYS 29 45.792 29.551 98.858 1.00 1.00 ATOM 32 CA VAL 30 45.230 28.402 102.429 1.00 1.00 ATOM 33 CA GLU 31 48.209 28.178 104.789 1.00 1.00 ATOM 44 CA LYS 32 43.709 44.580 103.538 1.00 1.00 ATOM 45 CA ARG 33 43.581 41.770 106.109 1.00 1.00 ATOM 46 CA GLU 34 40.266 40.734 107.651 1.00 1.00 ATOM 47 CA CYS 35 40.988 39.410 111.135 1.00 1.00 ATOM 48 CA ILE 36 38.847 36.398 112.070 1.00 1.00 ATOM 49 CA PRO 37 40.292 36.856 115.570 1.00 1.00 ATOM 50 CA ARG 38 40.530 33.115 116.167 1.00 1.00 ATOM 51 CA GLY 39 36.871 32.829 115.284 1.00 1.00 ATOM 52 CA VAL 40 35.566 30.096 112.990 1.00 1.00 ATOM 53 CA LEU 41 35.625 30.541 109.204 1.00 1.00 ATOM 54 CA MET 42 33.253 28.460 107.119 1.00 1.00 ATOM 55 CA PRO 43 31.722 28.564 103.645 1.00 1.00 ATOM 56 CA GLY 44 28.355 30.417 103.723 1.00 1.00 ATOM 57 CA PHE 45 25.275 29.155 105.481 1.00 1.00 ATOM 58 CA VAL 46 22.724 27.674 103.084 1.00 1.00 ATOM 59 CA ASP 47 18.917 27.709 103.168 1.00 1.00 ATOM 60 CA PRO 48 17.973 24.532 101.257 1.00 1.00 ATOM 61 CA HIS 49 14.218 24.873 101.772 1.00 1.00 ATOM 62 CA ILE 50 12.142 27.996 102.241 1.00 1.00 ATOM 63 CA HIS 51 8.932 29.469 100.834 1.00 1.00 ATOM 64 CA GLY 52 9.700 33.061 99.921 1.00 1.00 ATOM 65 CA VAL 53 6.328 33.410 98.220 1.00 1.00 ATOM 66 CA VAL 54 4.486 33.115 101.548 1.00 1.00 ATOM 67 CA GLY 55 7.026 34.701 103.909 1.00 1.00 ATOM 68 CA ALA 56 6.235 37.757 106.091 1.00 1.00 ATOM 69 CA ASP 57 2.459 37.390 105.853 1.00 1.00 ATOM 70 CA THR 58 1.637 36.283 109.418 1.00 1.00 ATOM 71 CA MET 59 -1.149 38.385 110.930 1.00 1.00 ATOM 72 CA ASN 60 -2.317 39.757 107.571 1.00 1.00 ATOM 102 CA CYS 61 8.695 43.089 98.696 1.00 1.00 ATOM 103 CA ASP 62 8.188 40.200 101.123 1.00 1.00 ATOM 104 CA PHE 63 10.726 37.909 99.464 1.00 1.00 ATOM 105 CA SER 64 13.296 40.715 99.602 1.00 1.00 ATOM 106 CA GLU 65 12.593 41.361 103.285 1.00 1.00 ATOM 107 CA MET 66 13.437 37.800 104.208 1.00 1.00 ATOM 108 CA GLU 67 16.365 37.710 101.791 1.00 1.00 ATOM 109 CA GLU 68 17.873 40.715 103.608 1.00 1.00 ATOM 110 CA PHE 69 17.591 38.837 106.912 1.00 1.00 ATOM 111 CA LEU 70 19.310 35.899 105.217 1.00 1.00 ATOM 112 CA TYR 71 22.158 38.090 103.902 1.00 1.00 ATOM 113 CA SER 72 22.557 39.455 107.447 1.00 1.00 ATOM 114 CA GLN 73 22.696 35.844 108.673 1.00 1.00 ATOM 115 CA GLY 74 25.521 34.811 106.354 1.00 1.00 ATOM 116 CA VAL 75 23.292 32.861 103.956 1.00 1.00 ATOM 117 CA THR 76 24.549 33.149 100.358 1.00 1.00 ATOM 118 CA THR 77 22.642 30.206 98.857 1.00 1.00 ATOM 119 CA PHE 78 18.873 29.846 99.058 1.00 1.00 ATOM 120 CA LEU 79 16.438 27.421 97.464 1.00 1.00 ATOM 121 CA ALA 80 12.896 28.738 97.540 1.00 1.00 ATOM 122 CA THR 81 9.829 26.764 96.570 1.00 1.00 ATOM 123 CA THR 82 7.182 28.766 94.695 1.00 1.00 ATOM 124 CA VAL 83 3.561 27.642 94.352 1.00 1.00 ATOM 125 CA SER 84 2.830 27.053 90.664 1.00 1.00 ATOM 126 CA THR 85 -0.730 25.773 91.154 1.00 1.00 ATOM 127 CA SER 86 -1.842 29.201 89.938 1.00 1.00 ATOM 128 CA LEU 87 -2.695 29.734 86.269 1.00 1.00 ATOM 129 CA GLU 88 -1.382 33.310 86.445 1.00 1.00 ATOM 130 CA LYS 89 1.918 32.159 87.981 1.00 1.00 ATOM 131 CA GLU 92 2.039 35.494 89.808 1.00 1.00 ATOM 132 CA ILE 93 4.480 34.544 92.554 1.00 1.00 ATOM 133 CA LEU 94 6.780 32.738 90.118 1.00 1.00 ATOM 134 CA ARG 95 7.115 35.735 87.778 1.00 1.00 ATOM 135 CA LYS 96 7.872 37.932 90.768 1.00 1.00 ATOM 136 CA ALA 97 10.424 35.469 92.146 1.00 1.00 ATOM 137 CA ARG 98 12.247 35.219 88.824 1.00 1.00 ATOM 138 CA ASP 99 12.848 38.977 88.993 1.00 1.00 ATOM 139 CA TYR 100 13.896 38.741 92.644 1.00 1.00 ATOM 140 CA ILE 101 16.407 36.041 91.669 1.00 1.00 ATOM 141 CA LEU 102 18.097 38.427 89.232 1.00 1.00 ATOM 142 CA GLU 103 17.978 41.332 91.678 1.00 1.00 ATOM 143 CA ASN 104 19.521 39.513 94.629 1.00 1.00 ATOM 144 CA PRO 105 22.218 37.703 92.608 1.00 1.00 ATOM 145 CA SER 106 25.084 39.910 93.835 1.00 1.00 ATOM 146 CA THR 107 24.433 38.672 97.396 1.00 1.00 ATOM 147 CA SER 108 22.545 35.369 97.149 1.00 1.00 ATOM 148 CA LEU 109 22.412 32.646 94.502 1.00 1.00 ATOM 149 CA LEU 110 18.678 31.866 94.554 1.00 1.00 ATOM 150 CA GLY 111 17.289 28.593 93.174 1.00 1.00 ATOM 151 CA VAL 112 13.579 28.470 92.389 1.00 1.00 ATOM 152 CA HIS 113 11.595 25.253 92.725 1.00 1.00 ATOM 153 CA LEU 114 8.389 25.042 90.665 1.00 1.00 ATOM 154 CA GLU 115 6.220 23.646 93.480 1.00 1.00 ATOM 155 CA GLY 116 2.813 22.251 92.374 1.00 1.00 ATOM 156 CA PRO 117 1.252 22.810 95.801 1.00 1.00 ATOM 157 CA TYR 118 -2.186 21.467 94.847 1.00 1.00 ATOM 158 CA ILE 119 -0.790 18.439 93.068 1.00 1.00 ATOM 159 CA SER 120 0.286 17.650 89.526 1.00 1.00 ATOM 160 CA LYS 121 -2.480 15.227 88.603 1.00 1.00 ATOM 161 CA GLU 122 -5.014 16.434 91.187 1.00 1.00 ATOM 162 CA LYS 123 -5.165 20.058 90.058 1.00 1.00 ATOM 163 CA LYS 124 -6.502 21.458 86.749 1.00 1.00 ATOM 164 CA GLY 125 -3.659 21.746 84.246 1.00 1.00 ATOM 183 CA ALA 126 3.910 16.583 96.409 1.00 1.00 ATOM 184 CA HIS 127 2.820 12.948 96.008 1.00 1.00 ATOM 185 CA SER 128 1.156 12.474 99.393 1.00 1.00 ATOM 186 CA GLU 129 -1.217 15.357 98.568 1.00 1.00 ATOM 187 CA LYS 130 -2.420 13.816 95.277 1.00 1.00 ATOM 188 CA HIS 131 -5.905 12.273 95.443 1.00 1.00 ATOM 189 CA ILE 132 -4.610 8.702 95.287 1.00 1.00 ATOM 190 CA ARG 133 -1.463 6.687 95.828 1.00 1.00 ATOM 191 CA PRO 134 -1.499 5.927 92.092 1.00 1.00 ATOM 192 CA PRO 135 -1.577 9.646 91.194 1.00 1.00 ATOM 193 CA SER 136 1.267 10.090 93.673 1.00 1.00 ATOM 194 CA GLU 137 3.480 7.517 92.000 1.00 1.00 ATOM 195 CA ARG 138 2.540 8.687 88.514 1.00 1.00 ATOM 196 CA GLU 139 3.274 12.310 89.460 1.00 1.00 ATOM 197 CA LEU 140 6.850 11.284 90.275 1.00 1.00 ATOM 198 CA SER 141 7.343 9.666 86.888 1.00 1.00 ATOM 199 CA GLU 142 6.126 12.940 85.322 1.00 1.00 ATOM 200 CA ILE 143 8.425 14.965 87.583 1.00 1.00 ATOM 201 CA ASP 144 11.492 12.927 86.631 1.00 1.00 ATOM 207 CA SER 145 14.896 20.318 80.782 1.00 1.00 ATOM 208 CA PRO 146 18.063 19.244 82.647 1.00 1.00 ATOM 209 CA ALA 147 16.839 20.573 85.986 1.00 1.00 ATOM 210 CA LYS 148 17.153 19.467 89.602 1.00 1.00 ATOM 211 CA MET 149 14.336 17.779 91.540 1.00 1.00 ATOM 212 CA LEU 150 13.086 18.566 95.046 1.00 1.00 ATOM 213 CA THR 151 9.948 16.757 96.160 1.00 1.00 ATOM 214 CA PHE 152 7.799 17.685 99.188 1.00 1.00 ATOM 215 CA ALA 153 7.926 13.996 100.050 1.00 1.00 ATOM 216 CA PRO 154 5.722 12.143 102.538 1.00 1.00 ATOM 217 CA GLU 155 5.168 15.240 104.706 1.00 1.00 ATOM 218 CA ILE 156 2.515 13.447 106.734 1.00 1.00 ATOM 219 CA GLU 157 2.285 11.179 109.802 1.00 1.00 ATOM 220 CA SER 158 1.104 8.254 107.660 1.00 1.00 ATOM 221 CA SER 159 3.159 5.074 108.038 1.00 1.00 ATOM 224 CA GLU 160 6.275 5.723 101.070 1.00 1.00 ATOM 225 CA LEU 161 6.725 7.913 98.017 1.00 1.00 ATOM 226 CA LEU 162 10.356 8.311 99.030 1.00 1.00 ATOM 227 CA LEU 163 11.144 4.835 97.660 1.00 1.00 ATOM 228 CA ARG 164 9.927 5.893 94.199 1.00 1.00 ATOM 229 CA LEU 165 11.922 9.127 94.351 1.00 1.00 ATOM 230 CA VAL 166 15.072 7.166 95.197 1.00 1.00 ATOM 231 CA LYS 167 14.411 4.346 92.698 1.00 1.00 ATOM 238 CA ARG 168 20.878 11.296 88.750 1.00 1.00 ATOM 239 CA ASP 169 20.929 11.003 92.531 1.00 1.00 ATOM 240 CA ILE 170 23.044 14.109 93.038 1.00 1.00 ATOM 241 CA VAL 171 20.386 16.254 91.350 1.00 1.00 ATOM 242 CA LEU 172 17.533 14.892 93.477 1.00 1.00 ATOM 243 CA SER 173 16.184 15.855 96.884 1.00 1.00 ATOM 244 CA ALA 174 13.400 14.450 99.044 1.00 1.00 ATOM 245 CA GLY 175 12.202 17.223 101.383 1.00 1.00 ATOM 246 CA HIS 176 10.552 16.449 104.725 1.00 1.00 ATOM 255 CA SER 177 12.123 -0.530 111.552 1.00 1.00 ATOM 256 CA ILE 178 12.229 -3.484 109.160 1.00 1.00 ATOM 257 CA ALA 179 10.940 -1.521 106.183 1.00 1.00 ATOM 258 CA THR 180 13.174 1.421 107.066 1.00 1.00 ATOM 259 CA PHE 181 16.228 -0.855 107.104 1.00 1.00 ATOM 260 CA GLU 182 15.362 -2.269 103.675 1.00 1.00 ATOM 261 CA GLU 183 14.702 1.244 102.348 1.00 1.00 ATOM 262 CA PHE 184 18.015 2.630 103.638 1.00 1.00 ATOM 263 CA MET 185 20.005 0.379 101.291 1.00 1.00 ATOM 264 CA LYS 186 18.231 2.021 98.349 1.00 1.00 ATOM 265 CA PHE 187 18.553 5.514 99.830 1.00 1.00 ATOM 266 CA TYR 188 22.329 5.110 100.113 1.00 1.00 ATOM 267 CA LYS 189 22.673 3.530 96.649 1.00 1.00 ATOM 268 CA GLU 190 20.529 6.229 95.001 1.00 1.00 ATOM 269 CA GLY 191 22.636 9.063 96.336 1.00 1.00 ATOM 270 CA VAL 192 19.659 11.409 96.698 1.00 1.00 ATOM 271 CA LYS 193 19.571 14.248 99.242 1.00 1.00 ATOM 272 CA ARG 194 17.268 14.783 102.204 1.00 1.00 ATOM 273 CA ILE 195 16.054 17.970 103.833 1.00 1.00 ATOM 274 CA THR 196 14.558 18.014 107.345 1.00 1.00 ATOM 275 CA HIS 197 12.845 21.254 108.510 1.00 1.00 ATOM 276 CA PHE 198 13.048 21.061 112.334 1.00 1.00 ATOM 277 CA MET 237 11.242 24.256 113.325 1.00 1.00 ATOM 278 CA VAL 238 8.224 23.546 111.146 1.00 1.00 ATOM 279 CA LYS 239 8.223 19.747 111.488 1.00 1.00 ATOM 280 CA LEU 240 8.067 19.800 115.302 1.00 1.00 ATOM 281 CA VAL 241 5.237 22.323 115.039 1.00 1.00 ATOM 282 CA TYR 242 3.076 20.760 112.292 1.00 1.00 ATOM 283 CA LYS 243 3.761 17.039 112.774 1.00 1.00 ATOM 284 CA VAL 244 2.144 14.998 115.525 1.00 1.00 ATOM 285 CA LYS 245 -1.012 17.118 115.364 1.00 1.00 ATOM 287 CA VAL 253 -1.772 12.375 118.103 1.00 1.00 ATOM 288 CA THR 254 -3.216 13.039 121.536 1.00 1.00 ATOM 289 CA ASP 255 -0.615 11.705 124.019 1.00 1.00 ATOM 290 CA SER 256 2.076 10.481 123.649 1.00 1.00 ATOM 291 CA ILE 257 2.874 12.791 120.724 1.00 1.00 ATOM 292 CA SER 258 5.470 11.902 118.077 1.00 1.00 ATOM 293 CA ALA 259 8.250 14.334 117.172 1.00 1.00 ATOM 294 CA ALA 260 7.753 13.824 113.467 1.00 1.00 ATOM 295 CA GLY 261 11.177 14.649 112.046 1.00 1.00 ATOM 296 CA LEU 262 12.738 12.288 109.508 1.00 1.00 ATOM 297 CA LYS 263 15.503 9.844 110.512 1.00 1.00 ATOM 298 CA ASP 264 18.326 12.370 110.558 1.00 1.00 ATOM 299 CA GLY 265 20.560 10.594 113.058 1.00 1.00 ATOM 300 CA THR 266 20.338 7.314 111.169 1.00 1.00 ATOM 301 CA THR 267 20.977 9.012 107.825 1.00 1.00 ATOM 302 CA THR 268 24.166 10.559 109.217 1.00 1.00 ATOM 303 CA LEU 269 25.251 7.198 110.601 1.00 1.00 ATOM 304 CA GLY 270 24.645 5.647 107.170 1.00 1.00 ATOM 305 CA ASP 271 26.431 8.353 105.204 1.00 1.00 ATOM 306 CA LEU 272 23.196 9.531 103.557 1.00 1.00 ATOM 307 CA VAL 273 23.263 13.266 102.845 1.00 1.00 ATOM 308 CA VAL 274 20.781 15.099 105.048 1.00 1.00 ATOM 309 CA LYS 275 20.534 18.816 105.887 1.00 1.00 ATOM 310 CA VAL 276 18.261 21.392 107.557 1.00 1.00 ATOM 311 CA LYS 277 15.957 24.058 106.136 1.00 1.00 ATOM 312 CA ASP 278 13.851 26.757 107.847 1.00 1.00 ATOM 313 CA PRO 281 10.885 26.109 105.504 1.00 1.00 ATOM 314 CA ARG 282 8.681 29.001 106.640 1.00 1.00 ATOM 315 CA LEU 283 9.432 32.419 108.050 1.00 1.00 ATOM 316 CA GLU 284 6.804 34.629 109.715 1.00 1.00 ATOM 317 CA ASP 285 3.774 33.208 107.892 1.00 1.00 ATOM 318 CA GLY 286 0.480 31.365 108.605 1.00 1.00 ATOM 319 CA THR 287 2.253 27.960 108.714 1.00 1.00 ATOM 320 CA LEU 288 4.994 29.131 111.082 1.00 1.00 ATOM 321 CA ALA 289 4.657 32.548 112.779 1.00 1.00 ATOM 322 CA GLY 290 8.202 32.713 114.075 1.00 1.00 ATOM 323 CA SER 291 11.710 32.946 112.689 1.00 1.00 ATOM 324 CA THR 292 14.441 35.426 111.783 1.00 1.00 ATOM 325 CA LEU 293 15.756 33.148 108.988 1.00 1.00 ATOM 326 CA PHE 294 18.617 32.031 111.215 1.00 1.00 ATOM 327 CA PHE 295 20.240 28.704 110.380 1.00 1.00 ATOM 328 CA SER 296 21.974 28.243 113.752 1.00 1.00 ATOM 329 CA GLN 297 18.487 28.452 115.287 1.00 1.00 ATOM 330 CA ALA 298 17.161 25.826 112.870 1.00 1.00 ATOM 331 CA VAL 299 20.177 23.643 113.742 1.00 1.00 ATOM 332 CA LYS 300 19.622 24.098 117.490 1.00 1.00 ATOM 333 CA ASN 301 16.037 22.798 117.167 1.00 1.00 ATOM 334 CA PHE 302 17.088 19.868 115.015 1.00 1.00 ATOM 335 CA ARG 303 19.888 18.756 117.346 1.00 1.00 ATOM 336 CA LYS 304 17.402 18.676 120.230 1.00 1.00 ATOM 337 CA PHE 305 14.495 16.944 118.522 1.00 1.00 ATOM 339 CA THR 306 18.741 13.845 119.954 1.00 1.00 ATOM 340 CA GLY 307 22.087 14.647 118.329 1.00 1.00 ATOM 341 CA CYS 308 23.306 15.978 121.659 1.00 1.00 ATOM 342 CA SER 309 26.679 14.352 122.182 1.00 1.00 ATOM 343 CA ILE 310 29.562 16.810 121.989 1.00 1.00 ATOM 344 CA THR 311 30.783 15.645 118.582 1.00 1.00 ATOM 345 CA GLU 312 27.261 15.438 117.173 1.00 1.00 ATOM 346 CA LEU 313 26.636 19.043 118.177 1.00 1.00 ATOM 350 CA ALA 314 27.399 22.920 111.271 1.00 1.00 ATOM 351 CA LYS 315 27.648 20.414 108.425 1.00 1.00 ATOM 352 CA VAL 316 23.844 20.219 108.418 1.00 1.00 ATOM 353 CA SER 317 23.572 23.910 107.524 1.00 1.00 ATOM 354 CA SER 318 26.669 24.266 105.343 1.00 1.00 ATOM 355 CA TYR 319 28.301 21.457 103.363 1.00 1.00 ATOM 356 CA ASN 320 25.407 19.006 103.345 1.00 1.00 ATOM 357 CA SER 321 23.047 21.741 102.172 1.00 1.00 ATOM 358 CA CYS 322 25.471 22.794 99.440 1.00 1.00 ATOM 359 CA VAL 323 25.439 19.181 98.201 1.00 1.00 ATOM 360 CA GLU 324 21.625 19.224 98.275 1.00 1.00 ATOM 361 CA LEU 325 21.663 22.314 96.023 1.00 1.00 ATOM 362 CA GLY 326 24.242 20.631 93.757 1.00 1.00 ATOM 363 CA LEU 327 26.565 23.615 94.222 1.00 1.00 ATOM 364 CA ASP 328 29.746 23.607 92.132 1.00 1.00 ATOM 365 CA ASP 329 31.608 26.485 93.796 1.00 1.00 ATOM 366 CA ARG 330 31.408 25.974 97.566 1.00 1.00 ATOM 367 CA GLY 331 33.922 25.445 100.351 1.00 1.00 ATOM 368 CA ILE 333 37.094 27.039 101.678 1.00 1.00 ATOM 369 CA ALA 334 39.428 25.673 99.002 1.00 1.00 ATOM 370 CA GLU 335 41.957 27.102 96.564 1.00 1.00 ATOM 371 CA GLY 336 40.314 28.024 93.282 1.00 1.00 ATOM 372 CA THR 337 36.855 28.546 94.758 1.00 1.00 ATOM 373 CA ARG 338 35.186 31.957 94.838 1.00 1.00 ATOM 374 CA ALA 339 36.018 33.842 98.035 1.00 1.00 ATOM 375 CA ASP 340 32.605 33.253 99.633 1.00 1.00 ATOM 376 CA LEU 341 32.950 32.674 103.370 1.00 1.00 ATOM 377 CA VAL 342 31.646 33.817 106.731 1.00 1.00 ATOM 378 CA LEU 343 33.239 34.414 110.106 1.00 1.00 ATOM 379 CA LEU 344 31.603 33.326 113.359 1.00 1.00 ATOM 380 CA ASP 345 32.863 34.784 116.667 1.00 1.00 ATOM 381 CA GLU 346 33.140 31.312 118.197 1.00 1.00 ATOM 382 CA ASP 347 35.793 28.641 118.755 1.00 1.00 ATOM 383 CA LEU 348 34.050 25.820 116.920 1.00 1.00 ATOM 393 CA ASN 349 25.659 36.171 114.910 1.00 1.00 ATOM 394 CA VAL 350 27.716 36.299 111.716 1.00 1.00 ATOM 395 CA VAL 351 30.599 38.718 112.400 1.00 1.00 ATOM 396 CA MET 352 31.395 39.107 108.693 1.00 1.00 ATOM 397 CA THR 353 29.980 37.656 105.490 1.00 1.00 ATOM 398 CA ILE 354 32.381 37.782 102.529 1.00 1.00 ATOM 399 CA LYS 355 31.310 37.228 98.925 1.00 1.00 ATOM 400 CA GLU 356 33.604 37.474 95.927 1.00 1.00 ATOM 401 CA GLY 357 36.244 38.669 98.367 1.00 1.00 ATOM 402 CA GLU 358 34.124 41.601 99.565 1.00 1.00 ATOM 403 CA VAL 359 32.276 42.169 102.848 1.00 1.00 ATOM 404 CA VAL 360 28.521 42.099 102.233 1.00 1.00 ATOM 405 CA PHE 361 27.358 41.956 105.856 1.00 1.00 ATOM 406 CA ARG 362 28.702 42.527 109.347 1.00 1.00 TER END ################################ # # # END # # # ################################