From mailer@bialko.llnl.gov Sun Jul 28 09:50:08 2002 Date: Sun, 28 Jul 2002 09:50:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Jul 28 09:23:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_353461_16269 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163SS389_1 Current information on models submitted in prediction T0163SS389 MODEL_INDEX PIN CODE DATE E-mail T0163SS389_1 PIN_353461_16269 1549-8716-6404 07/28/02 09:23:06 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163SS389_1 PIN_353461_16269 1549-8716-6404 07/28/02 09:23:06 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 T0163 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: 369 # Number of residues with nonzero confidence: 369 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0163 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0163.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0163.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0163.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 T0163.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0163 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 T0163.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 562 METHOD METHOD ============================================ METHOD Comments from T0163.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0163 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 T0163.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 562 METHOD METHOD ============================================ METHOD Comments from T0163.t2k.str.rdb METHOD ============================================ METHOD TARGET T0163 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 T0163.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 562 METHOD METHOD ============================================ MODEL 1 M C 0.98 K C 0.92 R C 0.83 H C 0.82 Y C 0.75 E C 0.53 A E 0.97 V E 0.98 V E 0.98 I E 0.93 G C 0.70 G C 0.90 G C 0.69 I H 0.91 I H 0.96 G H 0.97 S H 0.97 A H 0.98 I H 0.98 A H 0.98 Y H 0.97 Y H 0.97 L H 0.97 A H 0.97 K H 0.90 E C 0.61 N C 0.98 K C 0.96 N C 0.53 T E 0.95 A E 0.98 L E 0.98 F E 0.97 E E 0.77 S C 0.68 G C 0.87 T C 0.84 M C 0.82 G C 0.82 G C 0.79 R C 0.72 T C 0.60 T C 0.54 S C 0.51 A C 0.53 A C 0.55 A C 0.59 G C 0.61 M C 0.45 L E 0.49 G C 0.55 A C 0.63 H C 0.66 A C 0.64 E C 0.68 C C 0.75 E C 0.78 E C 0.73 R C 0.69 D H 0.72 A H 0.82 F H 0.86 F H 0.89 D H 0.89 F H 0.89 A H 0.90 M H 0.93 H H 0.92 S H 0.92 Q H 0.93 R H 0.93 L H 0.92 Y H 0.91 K H 0.92 G H 0.89 L H 0.87 G H 0.84 E H 0.82 E H 0.80 L H 0.70 Y H 0.68 A H 0.61 L H 0.51 S C 0.63 G C 0.75 V C 0.72 D C 0.72 I C 0.64 R C 0.56 Q E 0.52 H E 0.53 N C 0.49 G C 0.70 G C 0.76 M E 0.56 F E 0.82 K E 0.85 L E 0.78 A E 0.55 F C 0.77 S C 0.91 E H 0.64 E H 0.72 D H 0.80 V H 0.83 L H 0.82 Q H 0.84 L H 0.83 R H 0.84 Q H 0.80 M H 0.73 D H 0.61 D C 0.58 L C 0.77 D C 0.82 S C 0.78 V C 0.63 S C 0.52 W C 0.54 Y C 0.79 S C 0.91 K H 0.92 E H 0.92 E H 0.93 V H 0.92 L H 0.86 E H 0.73 K H 0.61 E C 0.65 P C 0.68 Y C 0.70 A C 0.74 S C 0.81 G C 0.75 D C 0.74 I C 0.57 F E 0.46 G E 0.57 A E 0.67 S E 0.73 F E 0.72 I C 0.50 Q C 0.74 D C 0.82 D C 0.72 V C 0.61 H E 0.48 V C 0.52 E C 0.84 P H 0.89 Y H 0.95 F H 0.96 V H 0.97 C H 0.97 K H 0.97 A H 0.97 Y H 0.97 V H 0.98 K H 0.97 A H 0.97 A H 0.97 K H 0.96 M H 0.88 L C 0.72 G C 0.98 A C 0.91 E E 0.79 I E 0.87 F E 0.81 E E 0.52 H C 0.80 T C 0.76 P E 0.56 V E 0.82 L E 0.90 H E 0.91 V E 0.92 E E 0.91 R E 0.80 D C 0.54 G C 0.89 E C 0.76 A E 0.81 L E 0.94 F E 0.97 I E 0.97 K E 0.96 T E 0.81 P C 0.84 S C 0.95 G C 0.80 D E 0.77 V E 0.92 W E 0.88 A E 0.83 N E 0.78 H E 0.93 V E 0.97 V E 0.97 V E 0.95 A E 0.63 S C 0.76 G C 0.85 V C 0.67 W C 0.54 S H 0.63 G H 0.73 M H 0.75 F H 0.79 F H 0.80 K H 0.78 Q H 0.76 L C 0.50 G C 0.87 L C 0.88 N C 0.86 N C 0.86 A C 0.82 F C 0.65 L C 0.54 P C 0.60 V C 0.54 K C 0.57 G E 0.49 E E 0.83 C E 0.95 L E 0.96 S E 0.95 V E 0.88 W E 0.59 N C 0.72 D C 0.86 D C 0.85 I C 0.84 P C 0.78 L C 0.68 T C 0.57 K E 0.58 T E 0.70 L E 0.71 Y C 0.59 H C 0.83 D C 0.89 H C 0.69 C E 0.70 Y E 0.92 I E 0.95 V E 0.95 P E 0.89 R E 0.50 K C 0.88 S C 0.95 G C 0.93 R E 0.53 L E 0.90 V E 0.94 V E 0.92 G E 0.74 A E 0.50 T C 0.61 M C 0.62 K C 0.62 P C 0.69 G C 0.81 D C 0.86 W C 0.85 S C 0.86 E C 0.84 T C 0.87 P C 0.90 D C 0.92 L H 0.90 G H 0.92 G H 0.94 L H 0.96 E H 0.96 S H 0.96 V H 0.96 M H 0.97 K H 0.96 K H 0.96 A H 0.96 K H 0.94 T H 0.88 M H 0.82 L H 0.55 P H 0.51 A C 0.50 I C 0.55 Q C 0.66 N C 0.66 M C 0.70 K C 0.59 V E 0.43 D E 0.58 R E 0.65 F E 0.60 W E 0.57 A E 0.50 G C 0.50 L E 0.51 R E 0.53 P C 0.61 G C 0.65 T C 0.85 K C 0.89 D C 0.91 G C 0.88 K C 0.80 P C 0.54 Y E 0.61 I E 0.59 G C 0.52 R C 0.55 H C 0.71 P C 0.82 E C 0.89 D C 0.84 S C 0.88 R C 0.85 I E 0.71 L E 0.92 F E 0.94 A E 0.89 A E 0.65 G C 0.65 H C 0.75 F C 0.81 R C 0.77 N C 0.72 G C 0.56 I H 0.50 L H 0.51 L H 0.61 A H 0.73 P H 0.95 A H 0.97 T H 0.97 G H 0.97 A H 0.98 L H 0.98 I H 0.98 S H 0.98 D H 0.97 L H 0.97 I H 0.95 M H 0.74 N C 0.74 K C 0.93 E C 0.90 V C 0.86 N C 0.81 Q C 0.63 D C 0.61 W C 0.56 L C 0.59 H C 0.68 A C 0.70 F C 0.78 R C 0.88 I C 0.53 D C 0.51 R H 0.49 K C 0.78 E C 0.86 A C 0.70 V C 0.69 Q C 0.74 I C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:17:40 2002 Date: Sun, 18 Aug 2002 08:17:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:49:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_645871_26818 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS189_1 Current information on models submitted in prediction T0163TS189 MODEL_INDEX PIN CODE DATE E-mail T0163TS189_1 PIN_645871_26818 5035-2079-5263 08/18/02 07:49:47 casp5@bialko.llnl.gov T0163TS189_3 PIN_559064_26793 5035-2079-5263 08/18/02 07:41:10 casp5@bialko.llnl.gov T0163TS189_2 PIN_545541_26788 5035-2079-5263 08/18/02 07:39:44 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS189_1 PIN_645871_26818 5035-2079-5263 08/18/02 07:49:47 casp5@bialko.llnl.gov T0163TS189_2 PIN_545541_26788 5035-2079-5263 08/18/02 07:39:44 casp5@bialko.llnl.gov T0163TS189_3 PIN_559064_26793 5035-2079-5263 08/18/02 07:41:10 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0163 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1EL5_A # Loading PARENT structure: 1el5 (chain: A) # Number of residues in PARENT structure: 385 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 355 # Total number of atoms in model: 355 # Number of atoms with 1.0 occupancy: 355 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 355 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1EL5_A ATOM 1 CA LYS 2 -11.666 43.553 59.846 1.00 1.00 ATOM 2 CA ARG 3 -11.609 40.897 57.126 1.00 1.00 ATOM 3 CA HIS 4 -9.522 37.759 57.580 1.00 1.00 ATOM 4 CA TYR 5 -9.165 35.590 54.466 1.00 1.00 ATOM 5 CA GLU 6 -8.518 31.871 54.062 1.00 1.00 ATOM 6 CA ALA 7 -5.625 32.617 51.682 1.00 1.00 ATOM 7 CA VAL 8 -3.775 35.723 50.576 1.00 1.00 ATOM 8 CA VAL 9 -1.888 35.875 47.266 1.00 1.00 ATOM 9 CA ILE 10 0.804 38.546 47.007 1.00 1.00 ATOM 10 CA GLY 11 1.510 39.304 43.343 1.00 1.00 ATOM 11 CA GLY 12 -1.482 38.585 41.150 1.00 1.00 ATOM 12 CA GLY 13 0.307 38.061 37.883 1.00 1.00 ATOM 13 CA ILE 14 0.889 34.938 35.801 1.00 1.00 ATOM 14 CA ILE 15 1.182 32.589 38.759 1.00 1.00 ATOM 15 CA GLY 16 -0.807 34.405 41.433 1.00 1.00 ATOM 16 CA SER 17 -3.911 34.971 39.346 1.00 1.00 ATOM 17 CA ALA 18 -4.042 31.340 38.261 1.00 1.00 ATOM 18 CA ILE 19 -3.703 30.287 41.913 1.00 1.00 ATOM 19 CA ALA 20 -6.507 32.764 42.714 1.00 1.00 ATOM 20 CA TYR 21 -8.731 31.169 40.137 1.00 1.00 ATOM 21 CA TYR 22 -7.975 27.660 41.450 1.00 1.00 ATOM 22 CA LEU 23 -8.683 28.721 45.033 1.00 1.00 ATOM 23 CA ALA 24 -11.883 30.646 44.329 1.00 1.00 ATOM 24 CA LYS 25 -13.203 27.782 42.239 1.00 1.00 ATOM 25 CA GLU 26 -13.155 25.726 45.426 1.00 1.00 ATOM 26 CA ASN 27 -14.922 28.269 47.602 1.00 1.00 ATOM 27 CA LYS 28 -11.716 29.288 49.396 1.00 1.00 ATOM 28 CA ASN 29 -12.029 32.932 50.576 1.00 1.00 ATOM 29 CA THR 30 -9.144 34.585 48.761 1.00 1.00 ATOM 30 CA ALA 31 -7.546 38.023 48.609 1.00 1.00 ATOM 31 CA LEU 32 -5.102 38.810 45.784 1.00 1.00 ATOM 32 CA PHE 33 -2.891 41.864 46.227 1.00 1.00 ATOM 33 CA GLU 34 -1.001 43.445 43.321 1.00 1.00 ATOM 34 CA SER 35 1.257 46.498 43.023 1.00 1.00 ATOM 35 CA GLY 36 -0.494 47.353 39.757 1.00 1.00 ATOM 36 CA THR 37 -3.731 46.290 37.986 1.00 1.00 ATOM 37 CA MET 38 -3.234 42.927 36.184 1.00 1.00 ATOM 38 CA GLY 39 -2.805 42.324 33.394 1.00 1.00 ATOM 39 CA GLY 40 -0.348 45.192 33.071 1.00 1.00 ATOM 40 CA ARG 41 2.914 46.168 31.395 1.00 1.00 ATOM 41 CA THR 42 5.253 46.461 34.355 1.00 1.00 ATOM 42 CA THR 43 5.870 42.797 35.098 1.00 1.00 ATOM 43 CA SER 44 6.695 39.668 33.133 1.00 1.00 ATOM 44 CA ALA 45 3.409 38.909 31.316 1.00 1.00 ATOM 45 CA ALA 46 2.805 41.507 28.633 1.00 1.00 ATOM 46 CA ALA 47 3.736 41.690 24.994 1.00 1.00 ATOM 47 CA GLY 48 0.516 39.855 24.062 1.00 1.00 ATOM 48 CA MET 49 1.904 36.391 23.287 1.00 1.00 ATOM 49 CA LEU 50 3.734 33.475 24.882 1.00 1.00 ATOM 50 CA GLY 51 4.947 30.215 23.420 1.00 1.00 ATOM 51 CA ALA 52 3.810 26.942 24.960 1.00 1.00 ATOM 52 CA HIS 53 5.926 23.889 24.017 1.00 1.00 ATOM 53 CA ALA 54 5.449 20.305 25.286 1.00 1.00 ATOM 54 CA GLU 55 8.713 18.560 24.147 1.00 1.00 ATOM 55 CA CYS 56 10.925 20.582 26.474 1.00 1.00 ATOM 56 CA GLU 57 14.500 21.576 25.674 1.00 1.00 ATOM 57 CA GLU 58 15.078 23.000 29.148 1.00 1.00 ATOM 58 CA ARG 59 14.418 19.495 30.467 1.00 1.00 ATOM 59 CA ASP 60 12.212 16.488 29.797 1.00 1.00 ATOM 60 CA ALA 61 11.121 16.560 33.467 1.00 1.00 ATOM 61 CA PHE 62 8.841 19.565 32.677 1.00 1.00 ATOM 62 CA PHE 63 6.760 17.609 30.176 1.00 1.00 ATOM 63 CA ASP 64 4.051 16.385 32.532 1.00 1.00 ATOM 64 CA PHE 65 3.414 19.922 33.831 1.00 1.00 ATOM 65 CA ALA 66 3.434 21.272 30.268 1.00 1.00 ATOM 66 CA MET 67 0.813 18.696 29.190 1.00 1.00 ATOM 67 CA HIS 68 -1.334 19.393 32.220 1.00 1.00 ATOM 68 CA SER 69 -1.042 23.173 31.595 1.00 1.00 ATOM 69 CA GLN 70 -2.056 22.653 27.972 1.00 1.00 ATOM 70 CA ARG 71 -5.208 20.768 29.056 1.00 1.00 ATOM 71 CA LEU 72 -5.928 23.651 31.538 1.00 1.00 ATOM 72 CA TYR 73 -5.514 26.272 28.774 1.00 1.00 ATOM 73 CA LYS 74 -8.047 24.358 26.621 1.00 1.00 ATOM 74 CA GLY 75 -10.387 24.462 29.647 1.00 1.00 ATOM 75 CA LEU 76 -9.934 28.196 30.080 1.00 1.00 ATOM 76 CA GLY 77 -10.685 28.697 26.378 1.00 1.00 ATOM 77 CA GLU 78 -14.124 27.120 26.940 1.00 1.00 ATOM 78 CA GLU 79 -14.814 29.171 30.041 1.00 1.00 ATOM 79 CA LEU 80 -14.241 32.724 28.827 1.00 1.00 ATOM 80 CA VAL 86 -14.967 34.957 25.843 1.00 1.00 ATOM 81 CA ASP 87 -11.328 36.088 25.783 1.00 1.00 ATOM 82 CA ILE 88 -9.028 34.325 23.239 1.00 1.00 ATOM 83 CA ARG 89 -6.606 31.993 25.000 1.00 1.00 ATOM 84 CA GLN 90 -4.746 29.696 22.600 1.00 1.00 ATOM 85 CA HIS 91 -3.939 29.366 18.907 1.00 1.00 ATOM 86 CA ASN 92 -2.343 26.096 17.783 1.00 1.00 ATOM 87 CA GLY 93 0.449 27.473 15.618 1.00 1.00 ATOM 88 CA GLY 94 2.767 24.545 16.308 1.00 1.00 ATOM 89 CA MET 95 6.309 25.310 17.505 1.00 1.00 ATOM 90 CA PHE 96 9.480 24.868 15.492 1.00 1.00 ATOM 91 CA LYS 97 12.818 24.223 17.193 1.00 1.00 ATOM 92 CA LEU 98 16.049 24.181 15.187 1.00 1.00 ATOM 93 CA ALA 99 19.781 24.496 15.460 1.00 1.00 ATOM 94 CA PHE 100 23.148 23.385 14.035 1.00 1.00 ATOM 95 CA SER 101 23.204 19.581 13.934 1.00 1.00 ATOM 96 CA GLU 102 24.985 18.093 16.936 1.00 1.00 ATOM 97 CA GLU 103 25.635 21.524 18.374 1.00 1.00 ATOM 98 CA ASP 104 22.544 22.383 20.382 1.00 1.00 ATOM 99 CA VAL 105 21.863 20.870 23.789 1.00 1.00 ATOM 100 CA LEU 106 18.462 22.593 23.583 1.00 1.00 ATOM 101 CA GLN 107 17.519 20.936 20.272 1.00 1.00 ATOM 102 CA LEU 108 18.897 17.581 21.543 1.00 1.00 ATOM 103 CA ARG 109 16.924 17.640 24.797 1.00 1.00 ATOM 104 CA GLN 110 13.792 18.740 22.925 1.00 1.00 ATOM 105 CA MET 111 14.190 15.638 20.755 1.00 1.00 ATOM 106 CA ASP 112 14.879 13.358 23.734 1.00 1.00 ATOM 107 CA ASP 113 11.921 14.752 25.589 1.00 1.00 ATOM 112 CA LEU 114 5.910 9.798 22.969 1.00 1.00 ATOM 113 CA ASP 115 5.040 13.289 21.823 1.00 1.00 ATOM 114 CA SER 116 3.890 13.877 18.236 1.00 1.00 ATOM 115 CA VAL 117 6.662 15.622 16.308 1.00 1.00 ATOM 116 CA SER 118 8.205 15.888 12.806 1.00 1.00 ATOM 117 CA TRP 119 11.966 15.734 12.383 1.00 1.00 ATOM 118 CA TYR 120 13.522 17.500 9.428 1.00 1.00 ATOM 119 CA SER 121 16.754 19.036 8.349 1.00 1.00 ATOM 120 CA LYS 122 18.486 21.454 6.080 1.00 1.00 ATOM 121 CA GLU 123 16.634 22.374 2.936 1.00 1.00 ATOM 122 CA GLU 124 13.506 20.492 4.127 1.00 1.00 ATOM 123 CA VAL 125 13.017 23.240 6.723 1.00 1.00 ATOM 124 CA LEU 126 13.267 26.010 4.121 1.00 1.00 ATOM 125 CA GLU 127 10.975 24.061 1.757 1.00 1.00 ATOM 126 CA LYS 128 8.269 23.404 4.331 1.00 1.00 ATOM 127 CA GLU 129 8.175 26.981 5.633 1.00 1.00 ATOM 128 CA PRO 130 8.851 29.547 2.907 1.00 1.00 ATOM 129 CA TYR 131 10.433 32.487 4.687 1.00 1.00 ATOM 130 CA ALA 132 12.875 30.457 6.791 1.00 1.00 ATOM 131 CA SER 133 16.425 30.207 5.512 1.00 1.00 ATOM 133 CA GLY 134 22.129 26.469 6.588 1.00 1.00 ATOM 134 CA ASP 135 22.052 22.865 5.332 1.00 1.00 ATOM 135 CA ILE 136 23.757 21.588 8.469 1.00 1.00 ATOM 136 CA PHE 137 20.778 22.601 10.635 1.00 1.00 ATOM 137 CA GLY 138 18.215 20.106 11.901 1.00 1.00 ATOM 138 CA ALA 139 14.872 20.590 13.507 1.00 1.00 ATOM 139 CA SER 140 12.013 19.182 15.481 1.00 1.00 ATOM 140 CA PHE 141 8.534 20.567 14.830 1.00 1.00 ATOM 141 CA ILE 142 5.724 20.113 17.384 1.00 1.00 ATOM 142 CA GLN 143 2.349 20.555 15.630 1.00 1.00 ATOM 143 CA ASP 144 0.116 20.548 18.674 1.00 1.00 ATOM 144 CA ASP 145 1.747 23.137 20.842 1.00 1.00 ATOM 145 CA VAL 146 1.490 26.852 20.080 1.00 1.00 ATOM 146 CA HIS 147 0.702 30.329 21.327 1.00 1.00 ATOM 147 CA VAL 148 -1.046 31.674 24.411 1.00 1.00 ATOM 148 CA GLU 149 -2.444 35.191 24.675 1.00 1.00 ATOM 149 CA PRO 150 -0.995 35.910 28.087 1.00 1.00 ATOM 150 CA TYR 151 -2.732 39.151 29.037 1.00 1.00 ATOM 151 CA PHE 152 -6.007 37.450 28.018 1.00 1.00 ATOM 152 CA VAL 153 -5.175 34.492 30.261 1.00 1.00 ATOM 153 CA CYS 154 -4.622 36.642 33.306 1.00 1.00 ATOM 154 CA LYS 155 -7.702 38.789 32.592 1.00 1.00 ATOM 155 CA ALA 156 -9.851 35.639 32.149 1.00 1.00 ATOM 156 CA TYR 157 -8.536 34.029 35.340 1.00 1.00 ATOM 157 CA VAL 158 -9.170 37.302 37.156 1.00 1.00 ATOM 158 CA LYS 159 -12.739 37.675 35.919 1.00 1.00 ATOM 159 CA ALA 160 -13.566 34.054 36.707 1.00 1.00 ATOM 160 CA ALA 161 -11.992 34.233 40.176 1.00 1.00 ATOM 161 CA LYS 162 -13.731 37.514 41.062 1.00 1.00 ATOM 162 CA MET 163 -17.056 36.099 39.858 1.00 1.00 ATOM 163 CA LEU 164 -16.550 33.348 42.415 1.00 1.00 ATOM 164 CA GLY 165 -15.802 35.744 45.279 1.00 1.00 ATOM 165 CA ALA 166 -12.059 36.342 45.140 1.00 1.00 ATOM 166 CA GLU 167 -11.114 39.914 46.028 1.00 1.00 ATOM 167 CA ILE 168 -8.387 41.705 44.125 1.00 1.00 ATOM 168 CA PHE 169 -6.766 44.728 45.786 1.00 1.00 ATOM 169 CA GLU 170 -4.921 46.708 43.101 1.00 1.00 ATOM 170 CA HIS 171 -2.190 49.368 43.070 1.00 1.00 ATOM 171 CA THR 172 -1.158 48.136 46.472 1.00 1.00 ATOM 172 CA PRO 173 2.436 47.211 47.085 1.00 1.00 ATOM 173 CA VAL 174 3.002 44.734 49.883 1.00 1.00 ATOM 174 CA LEU 175 5.941 46.035 51.915 1.00 1.00 ATOM 175 CA HIS 176 6.439 43.479 54.684 1.00 1.00 ATOM 176 CA VAL 177 5.179 40.200 56.135 1.00 1.00 ATOM 177 CA GLU 178 4.449 38.911 59.613 1.00 1.00 ATOM 178 CA ARG 179 4.368 35.121 59.719 1.00 1.00 ATOM 179 CA ASP 180 3.394 33.097 62.764 1.00 1.00 ATOM 180 CA GLY 181 2.705 29.376 63.191 1.00 1.00 ATOM 181 CA GLU 182 -1.044 29.621 62.574 1.00 1.00 ATOM 182 CA ALA 183 -1.474 32.797 60.513 1.00 1.00 ATOM 183 CA LEU 184 0.075 35.153 58.036 1.00 1.00 ATOM 184 CA PHE 185 -0.136 38.912 57.748 1.00 1.00 ATOM 185 CA ILE 186 0.880 41.394 55.018 1.00 1.00 ATOM 186 CA LYS 187 1.591 45.132 55.438 1.00 1.00 ATOM 187 CA THR 188 0.743 47.695 52.729 1.00 1.00 ATOM 188 CA PRO 189 0.209 51.497 52.587 1.00 1.00 ATOM 189 CA SER 190 -3.508 50.856 52.169 1.00 1.00 ATOM 190 CA GLY 191 -3.828 48.588 55.243 1.00 1.00 ATOM 191 CA ASP 192 -2.827 45.186 56.690 1.00 1.00 ATOM 192 CA VAL 193 -4.555 41.802 56.084 1.00 1.00 ATOM 193 CA TRP 194 -4.445 38.357 57.693 1.00 1.00 ATOM 194 CA ALA 195 -5.156 34.819 56.470 1.00 1.00 ATOM 195 CA ASN 196 -4.310 31.208 57.316 1.00 1.00 ATOM 196 CA HIS 197 -2.058 30.780 54.243 1.00 1.00 ATOM 197 CA VAL 198 0.112 32.981 52.041 1.00 1.00 ATOM 198 CA VAL 199 1.191 32.531 48.449 1.00 1.00 ATOM 199 CA VAL 200 4.104 34.732 47.387 1.00 1.00 ATOM 200 CA ALA 201 4.397 35.268 43.637 1.00 1.00 ATOM 201 CA SER 202 5.902 38.689 43.031 1.00 1.00 ATOM 202 CA GLY 203 7.773 37.985 39.825 1.00 1.00 ATOM 203 CA VAL 204 10.870 40.190 39.399 1.00 1.00 ATOM 204 CA TRP 205 10.200 41.694 42.831 1.00 1.00 ATOM 205 CA SER 206 10.806 38.341 44.543 1.00 1.00 ATOM 206 CA GLY 207 14.521 39.214 44.068 1.00 1.00 ATOM 207 CA MET 208 14.064 42.207 46.400 1.00 1.00 ATOM 208 CA PHE 209 11.345 41.150 48.851 1.00 1.00 ATOM 209 CA PHE 210 11.949 37.490 49.807 1.00 1.00 ATOM 210 CA LYS 211 14.525 38.773 52.277 1.00 1.00 ATOM 211 CA GLN 212 11.452 40.055 54.209 1.00 1.00 ATOM 212 CA LEU 213 10.656 36.359 54.679 1.00 1.00 ATOM 213 CA GLY 214 14.199 35.642 55.860 1.00 1.00 ATOM 214 CA LEU 215 15.170 34.085 52.522 1.00 1.00 ATOM 215 CA ASN 216 18.440 34.627 50.677 1.00 1.00 ATOM 216 CA ASN 217 18.225 33.083 47.189 1.00 1.00 ATOM 217 CA ALA 218 20.070 34.330 44.129 1.00 1.00 ATOM 218 CA PHE 219 17.384 35.749 41.833 1.00 1.00 ATOM 219 CA LEU 220 18.592 38.081 39.077 1.00 1.00 ATOM 220 CA PRO 221 16.094 40.164 37.114 1.00 1.00 ATOM 221 CA VAL 222 16.934 40.844 33.433 1.00 1.00 ATOM 222 CA LYS 223 15.592 43.390 30.944 1.00 1.00 ATOM 223 CA GLY 224 14.296 41.466 27.924 1.00 1.00 ATOM 224 CA GLU 225 12.915 43.149 24.815 1.00 1.00 ATOM 225 CA CYS 226 10.810 41.922 21.898 1.00 1.00 ATOM 226 CA LEU 227 10.002 43.617 18.582 1.00 1.00 ATOM 227 CA SER 228 7.150 43.247 16.070 1.00 1.00 ATOM 228 CA VAL 229 8.290 43.671 12.450 1.00 1.00 ATOM 229 CA TRP 230 6.461 44.356 9.203 1.00 1.00 ATOM 230 CA ASN 231 6.699 41.092 7.276 1.00 1.00 ATOM 231 CA ASP 232 5.753 39.300 4.100 1.00 1.00 ATOM 232 CA ASP 233 2.290 38.081 5.168 1.00 1.00 ATOM 233 CA ILE 234 2.220 35.442 2.432 1.00 1.00 ATOM 242 CA PRO 235 4.914 28.474 13.374 1.00 1.00 ATOM 243 CA LEU 236 5.913 29.866 16.740 1.00 1.00 ATOM 244 CA THR 237 9.618 29.031 17.251 1.00 1.00 ATOM 245 CA LYS 238 12.474 28.796 19.718 1.00 1.00 ATOM 246 CA THR 239 15.823 28.124 18.141 1.00 1.00 ATOM 247 CA LEU 240 19.521 28.005 18.794 1.00 1.00 ATOM 248 CA TYR 241 22.101 29.706 16.587 1.00 1.00 ATOM 249 CA HIS 242 25.825 30.413 17.218 1.00 1.00 ATOM 250 CA ASP 243 25.255 33.508 19.374 1.00 1.00 ATOM 251 CA HIS 244 22.399 32.032 21.372 1.00 1.00 ATOM 252 CA CYS 245 18.700 31.307 21.563 1.00 1.00 ATOM 253 CA TYR 246 15.928 33.247 19.855 1.00 1.00 ATOM 254 CA ILE 247 12.161 32.806 19.965 1.00 1.00 ATOM 255 CA VAL 248 9.308 34.235 17.950 1.00 1.00 ATOM 256 CA PRO 249 5.743 34.250 16.756 1.00 1.00 ATOM 257 CA ARG 250 4.010 34.320 13.400 1.00 1.00 ATOM 258 CA LYS 251 2.133 37.509 12.469 1.00 1.00 ATOM 259 CA SER 252 -1.443 37.400 13.800 1.00 1.00 ATOM 260 CA GLY 253 -3.927 39.609 11.913 1.00 1.00 ATOM 261 CA ARG 254 -1.044 41.505 10.309 1.00 1.00 ATOM 262 CA LEU 255 0.575 42.540 13.620 1.00 1.00 ATOM 263 CA VAL 256 3.939 41.454 12.231 1.00 1.00 ATOM 264 CA VAL 257 6.371 38.658 13.142 1.00 1.00 ATOM 265 CA GLY 258 7.464 39.035 16.782 1.00 1.00 ATOM 266 CA ALA 259 11.009 38.139 17.881 1.00 1.00 ATOM 267 CA THR 260 13.007 38.046 21.101 1.00 1.00 ATOM 268 CA MET 261 16.642 37.233 21.887 1.00 1.00 ATOM 269 CA LYS 262 16.601 34.974 24.932 1.00 1.00 ATOM 270 CA PRO 263 20.297 34.471 25.763 1.00 1.00 ATOM 271 CA GLY 264 21.082 38.128 26.479 1.00 1.00 ATOM 272 CA ASP 265 19.434 40.811 28.594 1.00 1.00 ATOM 273 CA TRP 266 20.595 43.700 30.793 1.00 1.00 ATOM 283 CA SER 267 11.296 52.013 26.745 1.00 1.00 ATOM 284 CA GLU 268 12.210 49.888 23.742 1.00 1.00 ATOM 285 CA THR 269 15.122 51.208 21.706 1.00 1.00 ATOM 286 CA PRO 270 17.034 53.089 24.375 1.00 1.00 ATOM 287 CA ASP 271 19.868 50.584 23.955 1.00 1.00 ATOM 288 CA LEU 272 21.117 49.969 20.393 1.00 1.00 ATOM 289 CA GLY 273 21.215 46.180 21.039 1.00 1.00 ATOM 290 CA GLY 274 17.418 46.208 21.539 1.00 1.00 ATOM 291 CA LEU 275 16.746 46.401 17.836 1.00 1.00 ATOM 292 CA GLU 276 20.080 45.323 16.320 1.00 1.00 ATOM 293 CA SER 277 20.253 41.885 18.037 1.00 1.00 ATOM 294 CA VAL 278 16.814 41.174 16.525 1.00 1.00 ATOM 295 CA MET 279 17.573 42.286 12.947 1.00 1.00 ATOM 296 CA LYS 280 20.877 40.379 13.030 1.00 1.00 ATOM 297 CA LYS 281 18.844 37.154 13.395 1.00 1.00 ATOM 298 CA ALA 282 16.079 38.151 10.955 1.00 1.00 ATOM 299 CA LYS 283 18.313 39.170 8.053 1.00 1.00 ATOM 300 CA THR 284 20.062 35.830 8.332 1.00 1.00 ATOM 301 CA MET 285 17.211 33.352 9.062 1.00 1.00 ATOM 302 CA LEU 286 13.827 35.009 8.288 1.00 1.00 ATOM 303 CA PRO 287 14.776 37.662 5.736 1.00 1.00 ATOM 304 CA ALA 288 11.221 38.451 4.670 1.00 1.00 ATOM 305 CA GLN 290 10.288 39.442 8.231 1.00 1.00 ATOM 306 CA ASN 291 12.901 42.213 8.622 1.00 1.00 ATOM 307 CA MET 292 10.748 45.190 7.710 1.00 1.00 ATOM 308 CA LYS 293 9.879 48.319 9.604 1.00 1.00 ATOM 309 CA VAL 294 9.653 48.003 13.406 1.00 1.00 ATOM 310 CA ASP 295 5.953 48.238 14.246 1.00 1.00 ATOM 311 CA ARG 296 6.084 47.856 18.001 1.00 1.00 ATOM 312 CA PHE 297 8.484 47.174 20.852 1.00 1.00 ATOM 313 CA TRP 298 7.945 45.953 24.444 1.00 1.00 ATOM 314 CA ALA 299 10.285 45.643 27.460 1.00 1.00 ATOM 315 CA GLY 300 9.683 42.895 29.938 1.00 1.00 ATOM 316 CA LEU 301 11.571 41.018 32.673 1.00 1.00 ATOM 317 CA ARG 302 12.946 37.533 33.387 1.00 1.00 ATOM 318 CA PRO 303 13.946 36.529 36.943 1.00 1.00 ATOM 319 CA GLY 304 16.659 33.848 36.763 1.00 1.00 ATOM 320 CA THR 305 17.703 31.284 39.317 1.00 1.00 ATOM 321 CA LYS 306 21.297 29.955 39.062 1.00 1.00 ATOM 322 CA ASP 307 20.183 26.699 37.379 1.00 1.00 ATOM 323 CA GLY 308 17.359 28.408 35.483 1.00 1.00 ATOM 324 CA LYS 309 14.771 26.042 36.968 1.00 1.00 ATOM 325 CA PRO 310 11.771 27.315 38.905 1.00 1.00 ATOM 326 CA TYR 311 11.216 27.608 42.630 1.00 1.00 ATOM 327 CA ILE 312 7.832 26.189 43.661 1.00 1.00 ATOM 328 CA GLY 313 7.737 25.031 47.249 1.00 1.00 ATOM 329 CA ARG 314 6.727 25.764 50.829 1.00 1.00 ATOM 330 CA HIS 315 8.867 28.258 52.771 1.00 1.00 ATOM 331 CA PRO 316 11.412 26.022 54.565 1.00 1.00 ATOM 332 CA GLU 317 10.513 27.542 57.949 1.00 1.00 ATOM 333 CA ASP 318 6.791 28.121 57.416 1.00 1.00 ATOM 334 CA SER 319 4.549 25.450 56.007 1.00 1.00 ATOM 335 CA ARG 320 1.788 28.056 55.742 1.00 1.00 ATOM 336 CA ILE 321 3.771 30.081 53.164 1.00 1.00 ATOM 337 CA LEU 322 4.093 29.026 49.513 1.00 1.00 ATOM 338 CA PHE 323 6.749 30.539 47.189 1.00 1.00 ATOM 339 CA ALA 324 6.600 30.780 43.368 1.00 1.00 ATOM 340 CA ALA 325 9.717 32.393 41.926 1.00 1.00 ATOM 341 CA GLY 326 12.567 32.325 39.427 1.00 1.00 ATOM 342 CA HIS 327 10.722 31.357 36.294 1.00 1.00 ATOM 343 CA PHE 328 13.791 32.318 34.314 1.00 1.00 ATOM 344 CA ARG 329 12.059 33.459 31.169 1.00 1.00 ATOM 345 CA ASN 330 10.099 30.270 30.479 1.00 1.00 ATOM 346 CA GLY 331 7.342 30.007 33.064 1.00 1.00 ATOM 347 CA ILE 332 4.210 31.412 31.450 1.00 1.00 ATOM 348 CA LEU 333 3.152 28.328 29.565 1.00 1.00 ATOM 349 CA LEU 334 3.069 26.534 32.927 1.00 1.00 ATOM 350 CA ALA 335 1.145 29.188 34.821 1.00 1.00 ATOM 351 CA PRO 336 -2.176 27.328 34.603 1.00 1.00 ATOM 352 CA ALA 337 -0.576 24.189 36.025 1.00 1.00 ATOM 353 CA THR 338 1.403 26.214 38.561 1.00 1.00 ATOM 354 CA GLY 339 -1.825 27.882 39.754 1.00 1.00 ATOM 355 CA ALA 340 -3.104 24.376 40.500 1.00 1.00 ATOM 356 CA LEU 341 0.074 23.354 42.311 1.00 1.00 ATOM 357 CA ILE 342 0.073 26.526 44.429 1.00 1.00 ATOM 358 CA SER 343 -3.545 25.941 45.411 1.00 1.00 ATOM 359 CA ASP 344 -2.757 22.398 46.479 1.00 1.00 ATOM 360 CA LEU 345 0.314 23.523 48.473 1.00 1.00 ATOM 361 CA ILE 346 -1.563 26.309 50.271 1.00 1.00 ATOM 362 CA MET 347 -4.555 24.139 51.111 1.00 1.00 ATOM 363 CA ASN 348 -2.809 20.882 51.952 1.00 1.00 ATOM 364 CA LYS 349 0.899 21.415 52.264 1.00 1.00 ATOM 365 CA GLU 350 1.458 18.986 49.363 1.00 1.00 ATOM 366 CA VAL 351 0.637 18.527 45.696 1.00 1.00 ATOM 367 CA ASN 352 -0.219 15.557 43.500 1.00 1.00 ATOM 368 CA GLN 353 2.377 16.917 41.024 1.00 1.00 ATOM 369 CA ASP 354 6.051 15.856 41.254 1.00 1.00 ATOM 370 CA LEU 356 7.731 19.204 41.889 1.00 1.00 ATOM 371 CA HIS 357 11.037 18.032 43.310 1.00 1.00 ATOM 372 CA ALA 358 13.001 19.682 40.515 1.00 1.00 ATOM 373 CA PHE 359 11.657 23.026 41.813 1.00 1.00 ATOM 374 CA ARG 360 12.626 22.453 45.432 1.00 1.00 ATOM 375 CA ILE 361 13.623 25.594 47.319 1.00 1.00 ATOM 376 CA ASP 362 16.197 23.377 49.126 1.00 1.00 ATOM 377 CA ARG 363 18.089 22.127 46.078 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:07:39 2002 Date: Sun, 18 Aug 2002 08:07:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:39:44 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_545541_26788 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS189_2 Current information on models submitted in prediction T0163TS189 MODEL_INDEX PIN CODE DATE E-mail T0163TS189_2 PIN_545541_26788 5035-2079-5263 08/18/02 07:39:44 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS189_2 PIN_545541_26788 5035-2079-5263 08/18/02 07:39:44 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 T0163 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1L9F_A # Loading PARENT structure: 1l9f (chain: A) # Number of residues in PARENT structure: 387 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 R 3 # IMPORTANT NOTE! Not complete main chain atoms for residue H 4 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # IMPORTANT NOTE! Not complete main chain atoms for residue E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue V 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue D 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue E 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue S 133 # IMPORTANT NOTE! Not complete main chain atoms for residue G 134 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue T 172 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue L 184 # IMPORTANT NOTE! Not complete main chain atoms for residue F 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue K 187 # IMPORTANT NOTE! Not complete main chain atoms for residue T 188 # IMPORTANT NOTE! Not complete main chain atoms for residue P 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue D 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue W 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue G 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue S 319 # IMPORTANT NOTE! Not complete main chain atoms for residue R 320 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # IMPORTANT NOTE! Not complete main chain atoms for residue M 347 # IMPORTANT NOTE! Not complete main chain atoms for residue N 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue E 350 # IMPORTANT NOTE! Not complete main chain atoms for residue V 351 # IMPORTANT NOTE! Not complete main chain atoms for residue N 352 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 353 # IMPORTANT NOTE! Not complete main chain atoms for residue D 354 # IMPORTANT NOTE! Not complete main chain atoms for residue L 356 # IMPORTANT NOTE! Not complete main chain atoms for residue H 357 # IMPORTANT NOTE! Not complete main chain atoms for residue A 358 # IMPORTANT NOTE! Not complete main chain atoms for residue F 359 # IMPORTANT NOTE! Not complete main chain atoms for residue R 360 # IMPORTANT NOTE! Not complete main chain atoms for residue I 361 # IMPORTANT NOTE! Not complete main chain atoms for residue D 362 # IMPORTANT NOTE! Not complete main chain atoms for residue R 363 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 355 # Total number of atoms in model: 355 # Number of atoms with 1.0 occupancy: 355 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 355 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1L9F_A ATOM 1 CA LYS 2 -12.298 43.274 60.303 1.00 1.00 ATOM 2 CA ARG 3 -11.654 40.932 57.400 1.00 1.00 ATOM 3 CA HIS 4 -9.580 37.801 57.780 1.00 1.00 ATOM 4 CA TYR 5 -9.282 35.559 54.693 1.00 1.00 ATOM 5 CA GLU 6 -8.679 31.828 54.271 1.00 1.00 ATOM 6 CA ALA 7 -5.818 32.555 51.886 1.00 1.00 ATOM 7 CA VAL 8 -3.935 35.691 50.844 1.00 1.00 ATOM 8 CA VAL 9 -2.041 35.786 47.534 1.00 1.00 ATOM 9 CA ILE 10 0.671 38.462 47.286 1.00 1.00 ATOM 10 CA GLY 11 1.415 39.301 43.660 1.00 1.00 ATOM 11 CA GLY 12 -1.584 38.567 41.436 1.00 1.00 ATOM 12 CA GLY 13 0.229 38.009 38.171 1.00 1.00 ATOM 13 CA ILE 14 0.741 34.906 36.043 1.00 1.00 ATOM 14 CA ILE 15 1.096 32.535 38.976 1.00 1.00 ATOM 15 CA GLY 16 -0.892 34.334 41.635 1.00 1.00 ATOM 16 CA SER 17 -3.996 34.997 39.568 1.00 1.00 ATOM 17 CA ALA 18 -4.097 31.348 38.428 1.00 1.00 ATOM 18 CA ILE 19 -3.817 30.303 42.084 1.00 1.00 ATOM 19 CA ALA 20 -6.566 32.772 43.017 1.00 1.00 ATOM 20 CA TYR 21 -8.863 31.229 40.404 1.00 1.00 ATOM 21 CA TYR 22 -8.147 27.692 41.610 1.00 1.00 ATOM 22 CA LEU 23 -8.841 28.728 45.218 1.00 1.00 ATOM 23 CA ALA 24 -12.007 30.719 44.493 1.00 1.00 ATOM 24 CA LYS 25 -13.349 27.850 42.419 1.00 1.00 ATOM 25 CA GLU 26 -13.296 25.722 45.584 1.00 1.00 ATOM 26 CA ASN 27 -15.106 28.242 47.730 1.00 1.00 ATOM 27 CA LYS 28 -11.929 29.347 49.527 1.00 1.00 ATOM 28 CA ASN 29 -12.213 32.988 50.801 1.00 1.00 ATOM 29 CA THR 30 -9.295 34.568 48.966 1.00 1.00 ATOM 30 CA ALA 31 -7.688 37.998 48.843 1.00 1.00 ATOM 31 CA LEU 32 -5.251 38.765 46.017 1.00 1.00 ATOM 32 CA PHE 33 -3.046 41.808 46.464 1.00 1.00 ATOM 33 CA GLU 34 -1.103 43.456 43.642 1.00 1.00 ATOM 34 CA SER 35 1.197 46.474 43.390 1.00 1.00 ATOM 35 CA GLY 36 -0.554 47.378 40.110 1.00 1.00 ATOM 36 CA THR 37 -3.753 46.271 38.303 1.00 1.00 ATOM 37 CA MET 38 -3.207 42.905 36.472 1.00 1.00 ATOM 38 CA GLY 39 -2.747 42.355 33.685 1.00 1.00 ATOM 39 CA GLY 40 -0.295 45.259 33.405 1.00 1.00 ATOM 40 CA ARG 41 3.013 46.171 31.789 1.00 1.00 ATOM 41 CA THR 42 5.300 46.417 34.829 1.00 1.00 ATOM 42 CA THR 43 5.888 42.746 35.486 1.00 1.00 ATOM 43 CA SER 44 6.688 39.634 33.492 1.00 1.00 ATOM 44 CA ALA 45 3.403 38.905 31.651 1.00 1.00 ATOM 45 CA ALA 46 2.840 41.535 28.968 1.00 1.00 ATOM 46 CA ALA 47 3.973 41.640 25.368 1.00 1.00 ATOM 47 CA GLY 48 0.717 39.867 24.449 1.00 1.00 ATOM 48 CA MET 49 2.018 36.402 23.639 1.00 1.00 ATOM 49 CA LEU 50 3.829 33.454 25.192 1.00 1.00 ATOM 50 CA GLY 51 5.036 30.139 23.779 1.00 1.00 ATOM 51 CA ALA 52 3.821 26.879 25.344 1.00 1.00 ATOM 52 CA HIS 53 5.896 23.794 24.270 1.00 1.00 ATOM 53 CA ALA 54 5.621 20.249 25.621 1.00 1.00 ATOM 54 CA GLU 55 8.940 18.529 24.725 1.00 1.00 ATOM 55 CA CYS 56 10.648 20.172 27.683 1.00 1.00 ATOM 56 CA GLU 57 14.209 18.938 27.849 1.00 1.00 ATOM 57 CA GLU 58 14.933 21.016 30.976 1.00 1.00 ATOM 58 CA ARG 59 13.687 18.087 33.083 1.00 1.00 ATOM 59 CA ASP 60 11.162 15.289 32.835 1.00 1.00 ATOM 60 CA ALA 61 9.077 16.740 35.676 1.00 1.00 ATOM 61 CA PHE 62 8.299 19.592 33.313 1.00 1.00 ATOM 62 CA PHE 63 6.509 17.482 30.672 1.00 1.00 ATOM 63 CA ASP 64 3.604 16.344 32.869 1.00 1.00 ATOM 64 CA PHE 65 3.232 19.891 34.187 1.00 1.00 ATOM 65 CA ALA 66 3.287 21.194 30.618 1.00 1.00 ATOM 66 CA MET 67 0.616 18.715 29.488 1.00 1.00 ATOM 67 CA HIS 68 -1.575 19.424 32.496 1.00 1.00 ATOM 68 CA SER 69 -1.181 23.173 31.887 1.00 1.00 ATOM 69 CA GLN 70 -2.166 22.675 28.242 1.00 1.00 ATOM 70 CA ARG 71 -5.361 20.872 29.251 1.00 1.00 ATOM 71 CA LEU 72 -6.011 23.685 31.773 1.00 1.00 ATOM 72 CA TYR 73 -5.556 26.304 29.045 1.00 1.00 ATOM 73 CA LYS 74 -8.077 24.471 26.852 1.00 1.00 ATOM 74 CA GLY 75 -10.430 24.534 29.868 1.00 1.00 ATOM 75 CA LEU 76 -9.914 28.257 30.311 1.00 1.00 ATOM 76 CA GLY 77 -10.635 28.810 26.603 1.00 1.00 ATOM 77 CA GLU 78 -14.083 27.235 27.124 1.00 1.00 ATOM 78 CA GLU 79 -14.879 29.267 30.232 1.00 1.00 ATOM 79 CA LEU 80 -14.204 32.793 29.011 1.00 1.00 ATOM 80 CA VAL 86 -14.925 35.074 26.041 1.00 1.00 ATOM 81 CA ASP 87 -11.258 36.173 25.991 1.00 1.00 ATOM 82 CA ILE 88 -9.017 34.386 23.450 1.00 1.00 ATOM 83 CA ARG 89 -6.607 32.064 25.235 1.00 1.00 ATOM 84 CA GLN 90 -4.721 29.827 22.843 1.00 1.00 ATOM 85 CA HIS 91 -3.866 29.407 19.183 1.00 1.00 ATOM 86 CA ASN 92 -2.290 26.141 18.008 1.00 1.00 ATOM 87 CA GLY 93 0.519 27.564 15.891 1.00 1.00 ATOM 88 CA GLY 94 2.774 24.623 16.599 1.00 1.00 ATOM 89 CA MET 95 6.321 25.306 17.875 1.00 1.00 ATOM 90 CA PHE 96 9.466 24.866 15.794 1.00 1.00 ATOM 91 CA LYS 97 12.835 24.200 17.435 1.00 1.00 ATOM 92 CA LEU 98 16.009 24.202 15.319 1.00 1.00 ATOM 93 CA ALA 99 19.759 24.542 15.587 1.00 1.00 ATOM 94 CA PHE 100 23.117 23.356 14.159 1.00 1.00 ATOM 95 CA SER 101 23.144 19.547 13.962 1.00 1.00 ATOM 96 CA GLU 102 25.022 18.009 16.884 1.00 1.00 ATOM 97 CA GLU 103 25.794 21.426 18.342 1.00 1.00 ATOM 98 CA ASP 104 22.689 22.325 20.340 1.00 1.00 ATOM 99 CA VAL 105 21.940 20.871 23.752 1.00 1.00 ATOM 100 CA LEU 106 18.581 22.645 23.577 1.00 1.00 ATOM 101 CA GLN 107 17.568 20.914 20.349 1.00 1.00 ATOM 102 CA LEU 108 19.038 17.586 21.576 1.00 1.00 ATOM 103 CA ARG 109 17.188 17.693 24.901 1.00 1.00 ATOM 104 CA GLN 110 13.971 18.651 23.113 1.00 1.00 ATOM 105 CA MET 111 14.239 15.598 20.851 1.00 1.00 ATOM 106 CA ASP 112 15.065 13.346 23.811 1.00 1.00 ATOM 107 CA ASP 113 12.132 14.694 25.804 1.00 1.00 ATOM 112 CA LEU 114 5.908 9.795 23.242 1.00 1.00 ATOM 113 CA ASP 115 5.071 13.281 22.074 1.00 1.00 ATOM 114 CA SER 116 3.912 13.823 18.494 1.00 1.00 ATOM 115 CA VAL 117 6.633 15.648 16.571 1.00 1.00 ATOM 116 CA SER 118 8.128 15.983 13.080 1.00 1.00 ATOM 117 CA TRP 119 11.900 15.786 12.589 1.00 1.00 ATOM 118 CA TYR 120 13.407 17.572 9.610 1.00 1.00 ATOM 119 CA SER 121 16.660 19.115 8.504 1.00 1.00 ATOM 120 CA LYS 122 18.362 21.459 6.144 1.00 1.00 ATOM 121 CA GLU 123 16.401 22.526 3.125 1.00 1.00 ATOM 122 CA GLU 124 13.338 20.559 4.333 1.00 1.00 ATOM 123 CA VAL 125 12.940 23.316 6.932 1.00 1.00 ATOM 124 CA LEU 126 13.177 26.120 4.373 1.00 1.00 ATOM 125 CA GLU 127 10.795 24.243 2.042 1.00 1.00 ATOM 126 CA LYS 128 8.135 23.462 4.639 1.00 1.00 ATOM 127 CA GLU 129 8.035 27.032 5.917 1.00 1.00 ATOM 128 CA PRO 130 8.756 29.631 3.227 1.00 1.00 ATOM 129 CA TYR 131 10.305 32.576 5.061 1.00 1.00 ATOM 130 CA ALA 132 12.801 30.533 7.085 1.00 1.00 ATOM 131 CA SER 133 16.348 30.325 5.747 1.00 1.00 ATOM 133 CA GLY 134 22.004 26.554 6.769 1.00 1.00 ATOM 134 CA ASP 135 21.883 22.981 5.413 1.00 1.00 ATOM 135 CA ILE 136 23.670 21.680 8.494 1.00 1.00 ATOM 136 CA PHE 137 20.750 22.652 10.746 1.00 1.00 ATOM 137 CA GLY 138 18.141 20.196 12.028 1.00 1.00 ATOM 138 CA ALA 139 14.805 20.659 13.688 1.00 1.00 ATOM 139 CA SER 140 12.001 19.181 15.730 1.00 1.00 ATOM 140 CA PHE 141 8.475 20.582 15.260 1.00 1.00 ATOM 141 CA ILE 142 5.615 20.076 17.770 1.00 1.00 ATOM 142 CA GLN 143 2.339 20.519 15.891 1.00 1.00 ATOM 143 CA ASP 144 0.143 20.568 18.967 1.00 1.00 ATOM 144 CA ASP 145 2.087 23.160 20.964 1.00 1.00 ATOM 145 CA VAL 146 1.385 26.847 20.476 1.00 1.00 ATOM 146 CA HIS 147 0.782 30.371 21.630 1.00 1.00 ATOM 147 CA VAL 148 -1.008 31.710 24.695 1.00 1.00 ATOM 148 CA GLU 149 -2.376 35.257 24.906 1.00 1.00 ATOM 149 CA PRO 150 -0.926 35.901 28.365 1.00 1.00 ATOM 150 CA TYR 151 -2.663 39.173 29.282 1.00 1.00 ATOM 151 CA PHE 152 -5.970 37.528 28.250 1.00 1.00 ATOM 152 CA VAL 153 -5.191 34.550 30.510 1.00 1.00 ATOM 153 CA CYS 154 -4.633 36.699 33.587 1.00 1.00 ATOM 154 CA LYS 155 -7.652 38.860 32.778 1.00 1.00 ATOM 155 CA ALA 156 -9.857 35.746 32.398 1.00 1.00 ATOM 156 CA TYR 157 -8.596 34.092 35.597 1.00 1.00 ATOM 157 CA VAL 158 -9.219 37.344 37.445 1.00 1.00 ATOM 158 CA LYS 159 -12.739 37.797 36.122 1.00 1.00 ATOM 159 CA ALA 160 -13.597 34.189 36.919 1.00 1.00 ATOM 160 CA ALA 161 -12.051 34.322 40.386 1.00 1.00 ATOM 161 CA LYS 162 -13.801 37.609 41.255 1.00 1.00 ATOM 162 CA MET 163 -17.129 36.287 40.030 1.00 1.00 ATOM 163 CA LEU 164 -16.679 33.517 42.609 1.00 1.00 ATOM 164 CA GLY 165 -15.921 35.854 45.486 1.00 1.00 ATOM 165 CA ALA 166 -12.187 36.460 45.286 1.00 1.00 ATOM 166 CA GLU 167 -11.225 39.990 46.308 1.00 1.00 ATOM 167 CA ILE 168 -8.495 41.790 44.425 1.00 1.00 ATOM 168 CA PHE 169 -6.783 44.764 46.001 1.00 1.00 ATOM 169 CA GLU 170 -4.940 46.707 43.312 1.00 1.00 ATOM 170 CA HIS 171 -2.212 49.369 43.385 1.00 1.00 ATOM 171 CA THR 172 -1.182 48.087 46.765 1.00 1.00 ATOM 172 CA PRO 173 2.407 47.115 47.388 1.00 1.00 ATOM 173 CA VAL 174 2.961 44.636 50.207 1.00 1.00 ATOM 174 CA LEU 175 5.885 45.917 52.265 1.00 1.00 ATOM 175 CA HIS 176 6.288 43.349 55.018 1.00 1.00 ATOM 176 CA VAL 177 5.048 40.058 56.439 1.00 1.00 ATOM 177 CA GLU 178 4.265 38.781 59.931 1.00 1.00 ATOM 178 CA ARG 179 4.124 34.980 60.035 1.00 1.00 ATOM 179 CA ASP 180 2.814 32.971 63.006 1.00 1.00 ATOM 180 CA GLY 181 2.490 29.236 63.425 1.00 1.00 ATOM 181 CA GLU 182 -1.283 29.576 62.897 1.00 1.00 ATOM 182 CA ALA 183 -1.771 32.722 60.807 1.00 1.00 ATOM 183 CA LEU 184 -0.160 35.039 58.299 1.00 1.00 ATOM 184 CA PHE 185 -0.336 38.814 58.028 1.00 1.00 ATOM 185 CA ILE 186 0.723 41.274 55.335 1.00 1.00 ATOM 186 CA LYS 187 1.463 44.997 55.709 1.00 1.00 ATOM 187 CA THR 188 0.601 47.594 53.048 1.00 1.00 ATOM 188 CA PRO 189 0.076 51.366 52.885 1.00 1.00 ATOM 189 CA SER 190 -3.617 50.591 52.402 1.00 1.00 ATOM 190 CA GLY 191 -3.840 48.465 55.582 1.00 1.00 ATOM 191 CA ASP 192 -2.962 45.059 57.110 1.00 1.00 ATOM 192 CA VAL 193 -4.731 41.753 56.370 1.00 1.00 ATOM 193 CA TRP 194 -4.612 38.287 57.936 1.00 1.00 ATOM 194 CA ALA 195 -5.348 34.752 56.724 1.00 1.00 ATOM 195 CA ASN 196 -4.639 31.107 57.523 1.00 1.00 ATOM 196 CA HIS 197 -2.361 30.737 54.513 1.00 1.00 ATOM 197 CA VAL 198 -0.093 32.870 52.375 1.00 1.00 ATOM 198 CA VAL 199 1.027 32.412 48.769 1.00 1.00 ATOM 199 CA VAL 200 3.909 34.659 47.701 1.00 1.00 ATOM 200 CA ALA 201 4.286 35.139 43.937 1.00 1.00 ATOM 201 CA SER 202 5.836 38.562 43.398 1.00 1.00 ATOM 202 CA GLY 203 7.732 37.841 40.193 1.00 1.00 ATOM 203 CA VAL 204 10.849 40.005 39.764 1.00 1.00 ATOM 204 CA TRP 205 10.172 41.549 43.177 1.00 1.00 ATOM 205 CA SER 206 10.839 38.203 44.876 1.00 1.00 ATOM 206 CA GLY 207 14.544 39.171 44.399 1.00 1.00 ATOM 207 CA MET 208 14.037 42.140 46.747 1.00 1.00 ATOM 208 CA PHE 209 11.315 41.068 49.180 1.00 1.00 ATOM 209 CA PHE 210 11.857 37.420 50.084 1.00 1.00 ATOM 210 CA LYS 211 14.342 38.774 52.627 1.00 1.00 ATOM 211 CA GLN 212 11.249 39.952 54.582 1.00 1.00 ATOM 212 CA LEU 213 10.457 36.231 55.009 1.00 1.00 ATOM 213 CA GLY 214 13.931 35.438 56.340 1.00 1.00 ATOM 214 CA LEU 215 14.986 33.960 52.987 1.00 1.00 ATOM 215 CA ASN 216 18.291 34.485 51.194 1.00 1.00 ATOM 216 CA ASN 217 18.007 33.086 47.672 1.00 1.00 ATOM 217 CA ALA 218 20.070 34.175 44.675 1.00 1.00 ATOM 218 CA PHE 219 17.599 35.671 42.187 1.00 1.00 ATOM 219 CA LEU 220 18.738 37.933 39.380 1.00 1.00 ATOM 220 CA PRO 221 16.248 40.032 37.399 1.00 1.00 ATOM 221 CA VAL 222 17.149 40.668 33.726 1.00 1.00 ATOM 222 CA LYS 223 15.767 43.255 31.307 1.00 1.00 ATOM 223 CA GLY 224 14.357 41.342 28.319 1.00 1.00 ATOM 224 CA GLU 225 12.922 43.079 25.273 1.00 1.00 ATOM 225 CA CYS 226 10.809 41.895 22.344 1.00 1.00 ATOM 226 CA LEU 227 10.055 43.589 19.027 1.00 1.00 ATOM 227 CA SER 228 7.199 43.304 16.489 1.00 1.00 ATOM 228 CA VAL 229 8.317 43.782 12.883 1.00 1.00 ATOM 229 CA TRP 230 6.491 44.455 9.600 1.00 1.00 ATOM 230 CA ASN 231 6.717 41.186 7.686 1.00 1.00 ATOM 231 CA ASP 232 5.772 39.395 4.498 1.00 1.00 ATOM 232 CA ASP 233 2.285 38.244 5.580 1.00 1.00 ATOM 233 CA ILE 234 2.175 35.680 2.766 1.00 1.00 ATOM 242 CA PRO 235 4.914 28.555 13.624 1.00 1.00 ATOM 243 CA LEU 236 5.899 29.887 17.012 1.00 1.00 ATOM 244 CA THR 237 9.569 29.053 17.550 1.00 1.00 ATOM 245 CA LYS 238 12.473 28.812 19.993 1.00 1.00 ATOM 246 CA THR 239 15.813 28.164 18.393 1.00 1.00 ATOM 247 CA LEU 240 19.519 27.967 19.079 1.00 1.00 ATOM 248 CA TYR 241 22.086 29.633 16.830 1.00 1.00 ATOM 249 CA HIS 242 25.803 30.277 17.501 1.00 1.00 ATOM 250 CA ASP 243 25.207 33.468 19.551 1.00 1.00 ATOM 251 CA HIS 244 22.367 32.090 21.682 1.00 1.00 ATOM 252 CA CYS 245 18.670 31.249 21.850 1.00 1.00 ATOM 253 CA TYR 246 15.890 33.246 20.181 1.00 1.00 ATOM 254 CA ILE 247 12.110 32.787 20.351 1.00 1.00 ATOM 255 CA VAL 248 9.339 34.219 18.236 1.00 1.00 ATOM 256 CA PRO 249 5.743 34.286 17.082 1.00 1.00 ATOM 257 CA ARG 250 3.987 34.397 13.722 1.00 1.00 ATOM 258 CA LYS 251 2.138 37.617 12.791 1.00 1.00 ATOM 259 CA SER 252 -1.424 37.554 14.187 1.00 1.00 ATOM 260 CA GLY 253 -3.901 39.762 12.342 1.00 1.00 ATOM 261 CA ARG 254 -1.005 41.655 10.759 1.00 1.00 ATOM 262 CA LEU 255 0.666 42.642 14.063 1.00 1.00 ATOM 263 CA VAL 256 3.969 41.510 12.581 1.00 1.00 ATOM 264 CA VAL 257 6.405 38.744 13.513 1.00 1.00 ATOM 265 CA GLY 258 7.485 39.039 17.134 1.00 1.00 ATOM 266 CA ALA 259 11.022 38.175 18.257 1.00 1.00 ATOM 267 CA THR 260 12.994 38.033 21.502 1.00 1.00 ATOM 268 CA MET 261 16.671 37.236 22.238 1.00 1.00 ATOM 269 CA LYS 262 16.513 34.817 25.208 1.00 1.00 ATOM 270 CA PRO 263 20.051 34.254 26.421 1.00 1.00 ATOM 271 CA GLY 264 21.044 37.896 26.820 1.00 1.00 ATOM 272 CA ASP 265 19.529 40.695 28.903 1.00 1.00 ATOM 273 CA TRP 266 20.700 43.578 31.119 1.00 1.00 ATOM 283 CA SER 267 11.385 51.929 27.160 1.00 1.00 ATOM 284 CA GLU 268 12.280 49.854 24.110 1.00 1.00 ATOM 285 CA THR 269 15.169 51.215 22.085 1.00 1.00 ATOM 286 CA PRO 270 17.130 53.019 24.781 1.00 1.00 ATOM 287 CA ASP 271 19.948 50.503 24.340 1.00 1.00 ATOM 288 CA LEU 272 21.156 49.931 20.753 1.00 1.00 ATOM 289 CA GLY 273 21.157 46.158 21.387 1.00 1.00 ATOM 290 CA GLY 274 17.373 46.218 21.892 1.00 1.00 ATOM 291 CA LEU 275 16.722 46.453 18.167 1.00 1.00 ATOM 292 CA GLU 276 20.089 45.358 16.737 1.00 1.00 ATOM 293 CA SER 277 20.227 41.892 18.376 1.00 1.00 ATOM 294 CA VAL 278 16.825 41.174 16.915 1.00 1.00 ATOM 295 CA MET 279 17.565 42.303 13.349 1.00 1.00 ATOM 296 CA LYS 280 20.860 40.383 13.391 1.00 1.00 ATOM 297 CA LYS 281 18.800 37.217 13.756 1.00 1.00 ATOM 298 CA ALA 282 16.072 38.218 11.301 1.00 1.00 ATOM 299 CA LYS 283 18.315 39.248 8.411 1.00 1.00 ATOM 300 CA THR 284 20.000 35.829 8.623 1.00 1.00 ATOM 301 CA MET 285 17.124 33.372 9.367 1.00 1.00 ATOM 302 CA LEU 286 13.774 35.065 8.575 1.00 1.00 ATOM 303 CA PRO 287 14.787 37.817 6.090 1.00 1.00 ATOM 304 CA ALA 288 11.259 38.650 5.015 1.00 1.00 ATOM 305 CA GLN 290 10.290 39.520 8.613 1.00 1.00 ATOM 306 CA ASN 291 12.906 42.276 9.012 1.00 1.00 ATOM 307 CA MET 292 10.772 45.299 8.123 1.00 1.00 ATOM 308 CA LYS 293 9.886 48.436 10.051 1.00 1.00 ATOM 309 CA VAL 294 9.691 48.092 13.846 1.00 1.00 ATOM 310 CA ASP 295 5.979 48.290 14.682 1.00 1.00 ATOM 311 CA ARG 296 6.130 47.862 18.435 1.00 1.00 ATOM 312 CA PHE 297 8.466 47.078 21.302 1.00 1.00 ATOM 313 CA TRP 298 8.009 45.883 24.890 1.00 1.00 ATOM 314 CA ALA 299 10.302 45.567 27.898 1.00 1.00 ATOM 315 CA GLY 300 9.788 42.849 30.393 1.00 1.00 ATOM 316 CA LEU 301 11.688 40.868 33.041 1.00 1.00 ATOM 317 CA ARG 302 13.085 37.359 33.706 1.00 1.00 ATOM 318 CA PRO 303 14.049 36.477 37.304 1.00 1.00 ATOM 319 CA GLY 304 16.661 33.729 37.308 1.00 1.00 ATOM 320 CA THR 305 17.687 31.122 39.813 1.00 1.00 ATOM 321 CA LYS 306 21.250 29.752 39.519 1.00 1.00 ATOM 322 CA ASP 307 20.056 26.525 37.871 1.00 1.00 ATOM 323 CA GLY 308 17.192 28.191 35.943 1.00 1.00 ATOM 324 CA LYS 309 14.644 25.836 37.520 1.00 1.00 ATOM 325 CA PRO 310 11.639 27.263 39.367 1.00 1.00 ATOM 326 CA TYR 311 11.026 27.585 43.083 1.00 1.00 ATOM 327 CA ILE 312 7.650 26.182 44.088 1.00 1.00 ATOM 328 CA GLY 313 7.534 24.960 47.650 1.00 1.00 ATOM 329 CA ARG 314 6.465 25.669 51.203 1.00 1.00 ATOM 330 CA HIS 315 8.574 28.157 53.178 1.00 1.00 ATOM 331 CA PRO 316 11.182 25.968 54.993 1.00 1.00 ATOM 332 CA GLU 317 10.228 27.422 58.390 1.00 1.00 ATOM 333 CA ASP 318 6.510 28.029 57.765 1.00 1.00 ATOM 334 CA SER 319 4.233 25.346 56.324 1.00 1.00 ATOM 335 CA ARG 320 1.484 27.988 56.035 1.00 1.00 ATOM 336 CA ILE 321 3.501 30.001 53.513 1.00 1.00 ATOM 337 CA LEU 322 3.884 28.984 49.860 1.00 1.00 ATOM 338 CA PHE 323 6.578 30.405 47.593 1.00 1.00 ATOM 339 CA ALA 324 6.452 30.688 43.776 1.00 1.00 ATOM 340 CA ALA 325 9.614 32.355 42.458 1.00 1.00 ATOM 341 CA GLY 326 12.429 32.359 39.926 1.00 1.00 ATOM 342 CA HIS 327 10.594 31.270 36.807 1.00 1.00 ATOM 343 CA PHE 328 13.697 32.268 34.941 1.00 1.00 ATOM 344 CA ARG 329 12.087 33.428 31.722 1.00 1.00 ATOM 345 CA ASN 330 10.065 30.293 30.962 1.00 1.00 ATOM 346 CA GLY 331 7.250 29.951 33.446 1.00 1.00 ATOM 347 CA ILE 332 4.197 31.399 31.746 1.00 1.00 ATOM 348 CA LEU 333 3.200 28.278 29.830 1.00 1.00 ATOM 349 CA LEU 334 3.053 26.497 33.223 1.00 1.00 ATOM 350 CA ALA 335 1.107 29.181 35.121 1.00 1.00 ATOM 351 CA PRO 336 -2.227 27.347 34.841 1.00 1.00 ATOM 352 CA ALA 337 -0.652 24.198 36.234 1.00 1.00 ATOM 353 CA THR 338 1.294 26.134 38.857 1.00 1.00 ATOM 354 CA GLY 339 -1.882 27.838 40.054 1.00 1.00 ATOM 355 CA ALA 340 -3.246 24.369 40.711 1.00 1.00 ATOM 356 CA LEU 341 -0.074 23.325 42.546 1.00 1.00 ATOM 357 CA ILE 342 -0.063 26.503 44.690 1.00 1.00 ATOM 358 CA SER 343 -3.700 25.950 45.575 1.00 1.00 ATOM 359 CA ASP 344 -2.959 22.422 46.722 1.00 1.00 ATOM 360 CA LEU 345 0.109 23.465 48.721 1.00 1.00 ATOM 361 CA ILE 346 -1.777 26.262 50.486 1.00 1.00 ATOM 362 CA MET 347 -4.810 24.103 51.308 1.00 1.00 ATOM 363 CA ASN 348 -3.139 20.784 52.082 1.00 1.00 ATOM 364 CA LYS 349 0.587 21.356 52.442 1.00 1.00 ATOM 365 CA GLU 350 1.145 18.879 49.576 1.00 1.00 ATOM 366 CA VAL 351 0.420 18.530 45.874 1.00 1.00 ATOM 367 CA ASN 352 -0.398 15.602 43.570 1.00 1.00 ATOM 368 CA GLN 353 2.170 17.013 41.090 1.00 1.00 ATOM 369 CA ASP 354 5.848 15.996 41.256 1.00 1.00 ATOM 370 CA LEU 356 7.618 19.216 42.169 1.00 1.00 ATOM 371 CA HIS 357 10.854 17.899 43.669 1.00 1.00 ATOM 372 CA ALA 358 13.023 19.625 41.071 1.00 1.00 ATOM 373 CA PHE 359 11.550 22.968 42.253 1.00 1.00 ATOM 374 CA ARG 360 12.419 22.399 45.903 1.00 1.00 ATOM 375 CA ILE 361 13.434 25.474 47.855 1.00 1.00 ATOM 376 CA ASP 362 15.977 23.224 49.663 1.00 1.00 ATOM 377 CA ARG 363 17.853 21.915 46.612 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 08:09:18 2002 Date: Sun, 18 Aug 2002 08:09:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0163 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 Sun Aug 18 07:41:10 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_559064_26793 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0163TS189_3 Current information on models submitted in prediction T0163TS189 MODEL_INDEX PIN CODE DATE E-mail T0163TS189_3 PIN_559064_26793 5035-2079-5263 08/18/02 07:41:10 casp5@bialko.llnl.gov T0163TS189_2 PIN_545541_26788 5035-2079-5263 08/18/02 07:39:44 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 T0163 MODEL_INDEX PIN CODE DATE E-mail T0163TS189_2 PIN_545541_26788 5035-2079-5263 08/18/02 07:39:44 casp5@bialko.llnl.gov T0163TS189_3 PIN_559064_26793 5035-2079-5263 08/18/02 07:41:10 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0163 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1AN9_A # Loading PARENT structure: 1an9 (chain: A) # Number of residues in PARENT structure: 340 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 5 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 E 6 # IMPORTANT NOTE! Not complete main chain atoms for residue A 7 # IMPORTANT NOTE! Not complete main chain atoms for residue V 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue I 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue G 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue I 14 # IMPORTANT NOTE! Not complete main chain atoms for residue I 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue S 17 # IMPORTANT NOTE! Not complete main chain atoms for residue A 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 21 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue K 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue K 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue A 31 # IMPORTANT NOTE! Not complete main chain atoms for residue L 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 34 # IMPORTANT NOTE! Not complete main chain atoms for residue S 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue M 38 # IMPORTANT NOTE! Not complete main chain atoms for residue G 39 # IMPORTANT NOTE! Not complete main chain atoms for residue G 40 # IMPORTANT NOTE! Not complete main chain atoms for residue R 41 # IMPORTANT NOTE! Not complete main chain atoms for residue T 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue A 45 # IMPORTANT NOTE! Not complete main chain atoms for residue A 46 # IMPORTANT NOTE! Not complete main chain atoms for residue A 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue M 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue A 52 # IMPORTANT NOTE! Not complete main chain atoms for residue H 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue C 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue E 58 # IMPORTANT NOTE! Not complete main chain atoms for residue R 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue A 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue D 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue S 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue D 87 # IMPORTANT NOTE! Not complete main chain atoms for residue I 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue G 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue M 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue K 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue F 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue E 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 107 # IMPORTANT NOTE! Not complete main chain atoms for residue L 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue M 111 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue D 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue S 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue E 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue E 127 # IMPORTANT NOTE! Not complete main chain atoms for residue K 128 # IMPORTANT NOTE! Not complete main chain atoms for residue D 135 # IMPORTANT NOTE! Not complete main chain atoms for residue I 136 # IMPORTANT NOTE! Not complete main chain atoms for residue F 137 # IMPORTANT NOTE! Not complete main chain atoms for residue G 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue S 140 # IMPORTANT NOTE! Not complete main chain atoms for residue F 141 # IMPORTANT NOTE! Not complete main chain atoms for residue I 142 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue V 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue V 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue P 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue F 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 154 # IMPORTANT NOTE! Not complete main chain atoms for residue K 155 # IMPORTANT NOTE! Not complete main chain atoms for residue A 156 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue A 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue M 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue G 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue I 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue E 170 # IMPORTANT NOTE! Not complete main chain atoms for residue H 171 # IMPORTANT NOTE! Not complete main chain atoms for residue P 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue H 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue N 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue V 198 # IMPORTANT NOTE! Not complete main chain atoms for residue V 199 # IMPORTANT NOTE! Not complete main chain atoms for residue V 200 # IMPORTANT NOTE! Not complete main chain atoms for residue A 201 # IMPORTANT NOTE! Not complete main chain atoms for residue S 202 # IMPORTANT NOTE! Not complete main chain atoms for residue G 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue W 205 # IMPORTANT NOTE! Not complete main chain atoms for residue S 206 # IMPORTANT NOTE! Not complete main chain atoms for residue G 207 # IMPORTANT NOTE! Not complete main chain atoms for residue M 208 # IMPORTANT NOTE! Not complete main chain atoms for residue F 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue N 216 # IMPORTANT NOTE! Not complete main chain atoms for residue N 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue F 219 # IMPORTANT NOTE! Not complete main chain atoms for residue L 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue C 226 # IMPORTANT NOTE! Not complete main chain atoms for residue L 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue V 229 # IMPORTANT NOTE! Not complete main chain atoms for residue W 230 # IMPORTANT NOTE! Not complete main chain atoms for residue N 231 # IMPORTANT NOTE! Not complete main chain atoms for residue D 232 # IMPORTANT NOTE! Not complete main chain atoms for residue D 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue T 239 # IMPORTANT NOTE! Not complete main chain atoms for residue L 240 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 241 # IMPORTANT NOTE! Not complete main chain atoms for residue H 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue H 244 # IMPORTANT NOTE! Not complete main chain atoms for residue C 245 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue V 248 # IMPORTANT NOTE! Not complete main chain atoms for residue P 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue K 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 252 # IMPORTANT NOTE! Not complete main chain atoms for residue G 253 # IMPORTANT NOTE! Not complete main chain atoms for residue R 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue V 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue G 258 # IMPORTANT NOTE! Not complete main chain atoms for residue A 259 # IMPORTANT NOTE! Not complete main chain atoms for residue T 260 # IMPORTANT NOTE! Not complete main chain atoms for residue M 261 # IMPORTANT NOTE! Not complete main chain atoms for residue K 262 # IMPORTANT NOTE! Not complete main chain atoms for residue P 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue D 265 # IMPORTANT NOTE! Not complete main chain atoms for residue W 266 # IMPORTANT NOTE! Not complete main chain atoms for residue S 267 # IMPORTANT NOTE! Not complete main chain atoms for residue E 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue P 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 G 273 # IMPORTANT NOTE! Not complete main chain atoms for residue G 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue E 276 # IMPORTANT NOTE! Not complete main chain atoms for residue S 277 # IMPORTANT NOTE! Not complete main chain atoms for residue V 278 # IMPORTANT NOTE! Not complete main chain atoms for residue M 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue A 282 # IMPORTANT NOTE! Not complete main chain atoms for residue K 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue M 285 # IMPORTANT NOTE! Not complete main chain atoms for residue L 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue I 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 290 # IMPORTANT NOTE! Not complete main chain atoms for residue N 291 # IMPORTANT NOTE! Not complete main chain atoms for residue M 292 # IMPORTANT NOTE! Not complete main chain atoms for residue K 293 # IMPORTANT NOTE! Not complete main chain atoms for residue V 294 # IMPORTANT NOTE! Not complete main chain atoms for residue D 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue F 297 # IMPORTANT NOTE! Not complete main chain atoms for residue W 298 # IMPORTANT NOTE! Not complete main chain atoms for residue A 299 # IMPORTANT NOTE! Not complete main chain atoms for residue G 300 # IMPORTANT NOTE! Not complete main chain atoms for residue L 301 # IMPORTANT NOTE! Not complete main chain atoms for residue R 302 # IMPORTANT NOTE! Not complete main chain atoms for residue P 303 # IMPORTANT NOTE! Not complete main chain atoms for residue G 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 305 # IMPORTANT NOTE! Not complete main chain atoms for residue K 306 # IMPORTANT NOTE! Not complete main chain atoms for residue D 307 # IMPORTANT NOTE! Not complete main chain atoms for residue G 308 # IMPORTANT NOTE! Not complete main chain atoms for residue K 309 # IMPORTANT NOTE! Not complete main chain atoms for residue P 310 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 311 # IMPORTANT NOTE! Not complete main chain atoms for residue I 312 # IMPORTANT NOTE! Not complete main chain atoms for residue G 313 # IMPORTANT NOTE! Not complete main chain atoms for residue R 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue P 316 # IMPORTANT NOTE! Not complete main chain atoms for residue E 317 # IMPORTANT NOTE! Not complete main chain atoms for residue D 318 # IMPORTANT NOTE! Not complete main chain atoms for residue I 321 # IMPORTANT NOTE! Not complete main chain atoms for residue L 322 # IMPORTANT NOTE! Not complete main chain atoms for residue F 323 # IMPORTANT NOTE! Not complete main chain atoms for residue A 324 # IMPORTANT NOTE! Not complete main chain atoms for residue A 325 # IMPORTANT NOTE! Not complete main chain atoms for residue G 326 # IMPORTANT NOTE! Not complete main chain atoms for residue H 327 # IMPORTANT NOTE! Not complete main chain atoms for residue F 328 # IMPORTANT NOTE! Not complete main chain atoms for residue R 329 # IMPORTANT NOTE! Not complete main chain atoms for residue N 330 # IMPORTANT NOTE! Not complete main chain atoms for residue G 331 # IMPORTANT NOTE! Not complete main chain atoms for residue I 332 # IMPORTANT NOTE! Not complete main chain atoms for residue L 333 # IMPORTANT NOTE! Not complete main chain atoms for residue L 334 # IMPORTANT NOTE! Not complete main chain atoms for residue A 335 # IMPORTANT NOTE! Not complete main chain atoms for residue P 336 # IMPORTANT NOTE! Not complete main chain atoms for residue A 337 # IMPORTANT NOTE! Not complete main chain atoms for residue T 338 # IMPORTANT NOTE! Not complete main chain atoms for residue G 339 # IMPORTANT NOTE! Not complete main chain atoms for residue A 340 # IMPORTANT NOTE! Not complete main chain atoms for residue L 341 # IMPORTANT NOTE! Not complete main chain atoms for residue I 342 # IMPORTANT NOTE! Not complete main chain atoms for residue S 343 # IMPORTANT NOTE! Not complete main chain atoms for residue D 344 # IMPORTANT NOTE! Not complete main chain atoms for residue L 345 # IMPORTANT NOTE! Not complete main chain atoms for residue I 346 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0163 # Total number of residues in target: 369 # Total number of residues in model: 309 # Total number of atoms in model: 309 # Number of atoms with 1.0 occupancy: 309 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 309 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0163 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1AN9_A ATOM 1 CA TYR 5 26.178 86.048 32.482 1.00 1.00 ATOM 2 CA GLU 6 29.443 86.959 34.161 1.00 1.00 ATOM 3 CA ALA 7 29.511 85.858 37.790 1.00 1.00 ATOM 4 CA VAL 8 32.504 86.796 39.899 1.00 1.00 ATOM 5 CA VAL 9 32.865 84.940 43.166 1.00 1.00 ATOM 6 CA ILE 10 35.169 86.563 45.701 1.00 1.00 ATOM 7 CA GLY 11 36.788 84.047 48.038 1.00 1.00 ATOM 8 CA GLY 12 38.583 80.730 47.633 1.00 1.00 ATOM 9 CA GLY 13 37.624 79.188 50.970 1.00 1.00 ATOM 10 CA ILE 14 34.992 76.473 51.433 1.00 1.00 ATOM 11 CA ILE 15 32.228 79.061 51.145 1.00 1.00 ATOM 12 CA GLY 16 33.509 80.547 47.901 1.00 1.00 ATOM 13 CA SER 17 34.247 77.301 46.095 1.00 1.00 ATOM 14 CA ALA 18 31.091 75.582 47.363 1.00 1.00 ATOM 15 CA ILE 19 28.946 78.420 46.065 1.00 1.00 ATOM 16 CA ALA 20 30.790 78.397 42.718 1.00 1.00 ATOM 17 CA TYR 21 30.204 74.694 42.067 1.00 1.00 ATOM 18 CA TYR 22 26.603 74.733 43.247 1.00 1.00 ATOM 19 CA LEU 23 25.759 77.648 40.952 1.00 1.00 ATOM 20 CA ALA 24 27.635 76.015 38.069 1.00 1.00 ATOM 21 CA LYS 25 26.120 72.526 38.486 1.00 1.00 ATOM 28 CA GLU 26 23.925 80.995 27.643 1.00 1.00 ATOM 29 CA ASN 27 27.503 81.993 28.326 1.00 1.00 ATOM 30 CA LYS 28 28.002 81.281 32.013 1.00 1.00 ATOM 31 CA ASN 29 31.274 82.922 32.936 1.00 1.00 ATOM 32 CA THR 30 32.230 82.157 36.526 1.00 1.00 ATOM 33 CA ALA 31 35.481 83.579 37.839 1.00 1.00 ATOM 34 CA LEU 32 36.846 83.170 41.347 1.00 1.00 ATOM 35 CA PHE 33 38.994 86.027 42.645 1.00 1.00 ATOM 36 CA GLU 34 40.989 85.502 45.830 1.00 1.00 ATOM 37 CA SER 35 44.202 86.750 47.405 1.00 1.00 ATOM 38 CA GLY 36 44.765 83.668 49.575 1.00 1.00 ATOM 39 CA THR 37 44.377 80.235 48.070 1.00 1.00 ATOM 40 CA MET 38 43.844 76.772 49.548 1.00 1.00 ATOM 41 CA GLY 39 46.671 76.162 52.057 1.00 1.00 ATOM 42 CA GLY 40 46.393 79.747 53.361 1.00 1.00 ATOM 43 CA ARG 41 42.650 80.108 53.880 1.00 1.00 ATOM 44 CA THR 42 40.886 79.860 57.227 1.00 1.00 ATOM 45 CA THR 43 39.207 76.690 55.932 1.00 1.00 ATOM 46 CA SER 44 42.529 74.831 55.926 1.00 1.00 ATOM 47 CA ALA 45 43.067 75.642 59.584 1.00 1.00 ATOM 48 CA ALA 46 39.652 74.233 60.406 1.00 1.00 ATOM 49 CA ALA 47 39.683 71.164 62.655 1.00 1.00 ATOM 50 CA GLY 48 37.487 69.337 60.148 1.00 1.00 ATOM 51 CA MET 49 34.483 68.216 62.192 1.00 1.00 ATOM 52 CA LEU 50 30.830 68.617 61.357 1.00 1.00 ATOM 53 CA GLY 51 29.303 69.994 64.533 1.00 1.00 ATOM 54 CA ALA 52 27.230 73.154 65.028 1.00 1.00 ATOM 55 CA HIS 53 27.321 75.259 68.179 1.00 1.00 ATOM 56 CA ALA 54 25.811 73.672 71.288 1.00 1.00 ATOM 57 CA GLU 55 23.678 76.839 71.461 1.00 1.00 ATOM 58 CA CYS 56 20.350 77.211 69.621 1.00 1.00 ATOM 59 CA GLU 57 20.585 79.035 66.282 1.00 1.00 ATOM 60 CA GLU 58 19.772 82.772 66.137 1.00 1.00 ATOM 61 CA ARG 59 18.458 82.551 62.597 1.00 1.00 ATOM 62 CA ASP 60 16.138 79.483 62.616 1.00 1.00 ATOM 63 CA ALA 61 17.101 78.898 58.967 1.00 1.00 ATOM 64 CA PHE 62 20.684 77.983 59.941 1.00 1.00 ATOM 65 CA PHE 63 19.349 74.833 61.571 1.00 1.00 ATOM 66 CA ASP 64 18.041 73.742 58.177 1.00 1.00 ATOM 67 CA PHE 65 21.282 74.652 56.392 1.00 1.00 ATOM 68 CA ALA 66 23.253 72.519 58.830 1.00 1.00 ATOM 69 CA MET 67 20.856 69.657 58.109 1.00 1.00 ATOM 70 CA HIS 68 21.098 70.011 54.330 1.00 1.00 ATOM 71 CA SER 69 24.888 69.951 54.572 1.00 1.00 ATOM 72 CA GLN 70 25.058 66.825 56.732 1.00 1.00 ATOM 73 CA ARG 71 22.733 64.946 54.400 1.00 1.00 ATOM 74 CA LEU 72 24.774 66.114 51.408 1.00 1.00 ATOM 75 CA TYR 73 27.997 64.892 53.011 1.00 1.00 ATOM 76 CA LYS 74 26.525 61.651 54.380 1.00 1.00 ATOM 77 CA GLY 75 25.477 60.653 50.866 1.00 1.00 ATOM 78 CA LEU 76 29.130 60.498 49.836 1.00 1.00 ATOM 79 CA GLY 77 29.984 57.969 52.507 1.00 1.00 ATOM 80 CA GLU 78 29.163 54.791 50.645 1.00 1.00 ATOM 81 CA GLU 79 31.230 55.798 47.624 1.00 1.00 ATOM 82 CA LEU 80 34.840 55.723 46.480 1.00 1.00 ATOM 83 CA SER 84 36.504 59.165 46.405 1.00 1.00 ATOM 84 CA GLY 85 34.786 59.957 49.709 1.00 1.00 ATOM 85 CA VAL 86 38.231 59.852 51.334 1.00 1.00 ATOM 86 CA ASP 87 39.705 61.727 48.378 1.00 1.00 ATOM 87 CA ILE 88 37.485 64.732 48.984 1.00 1.00 ATOM 88 CA ARG 89 38.338 64.691 52.695 1.00 1.00 ATOM 89 CA GLN 90 35.240 62.837 53.943 1.00 1.00 ATOM 90 CA HIS 91 35.256 60.048 56.533 1.00 1.00 ATOM 91 CA ASN 92 32.866 59.081 59.356 1.00 1.00 ATOM 92 CA GLY 93 34.086 59.605 62.924 1.00 1.00 ATOM 93 CA GLY 94 32.572 58.970 66.336 1.00 1.00 ATOM 94 CA MET 95 33.294 60.867 69.524 1.00 1.00 ATOM 95 CA PHE 96 32.604 62.507 72.830 1.00 1.00 ATOM 96 CA LYS 97 31.337 65.941 73.809 1.00 1.00 ATOM 97 CA LEU 98 32.248 66.331 77.469 1.00 1.00 ATOM 98 CA ALA 99 30.760 68.783 79.952 1.00 1.00 ATOM 99 CA PHE 100 31.541 69.556 83.572 1.00 1.00 ATOM 100 CA SER 101 27.821 69.998 84.200 1.00 1.00 ATOM 101 CA GLU 102 24.475 68.775 82.833 1.00 1.00 ATOM 102 CA GLU 103 23.273 70.567 79.690 1.00 1.00 ATOM 103 CA ASP 104 20.210 70.339 77.410 1.00 1.00 ATOM 104 CA GLN 107 20.607 68.347 74.232 1.00 1.00 ATOM 105 CA LEU 108 21.728 70.170 71.069 1.00 1.00 ATOM 106 CA ARG 109 19.188 71.135 68.393 1.00 1.00 ATOM 107 CA GLN 110 21.267 68.916 66.128 1.00 1.00 ATOM 108 CA MET 111 20.895 65.811 68.327 1.00 1.00 ATOM 111 CA LEU 114 24.038 63.254 63.679 1.00 1.00 ATOM 112 CA ASP 115 24.034 59.433 63.762 1.00 1.00 ATOM 113 CA SER 116 23.180 57.622 66.978 1.00 1.00 ATOM 114 CA VAL 117 23.063 60.417 69.520 1.00 1.00 ATOM 115 CA SER 118 22.922 59.328 73.160 1.00 1.00 ATOM 116 CA TRP 119 24.271 60.508 76.518 1.00 1.00 ATOM 117 CA TYR 120 27.419 59.023 78.025 1.00 1.00 ATOM 118 CA SER 121 26.977 56.479 80.841 1.00 1.00 ATOM 119 CA LYS 122 28.647 56.827 84.257 1.00 1.00 ATOM 120 CA GLU 123 31.011 53.983 83.358 1.00 1.00 ATOM 121 CA GLU 124 31.982 55.779 80.136 1.00 1.00 ATOM 122 CA VAL 125 32.463 58.946 82.152 1.00 1.00 ATOM 123 CA LEU 126 34.968 57.010 84.285 1.00 1.00 ATOM 124 CA GLU 127 37.272 57.425 81.273 1.00 1.00 ATOM 125 CA LYS 128 37.050 61.213 81.739 1.00 1.00 ATOM 126 CA ASP 135 37.465 62.035 85.476 1.00 1.00 ATOM 127 CA ILE 136 37.281 65.791 84.903 1.00 1.00 ATOM 128 CA PHE 137 33.708 65.702 83.572 1.00 1.00 ATOM 129 CA GLY 138 30.405 64.310 84.782 1.00 1.00 ATOM 130 CA ALA 139 28.246 64.828 81.700 1.00 1.00 ATOM 131 CA SER 140 28.486 64.309 77.977 1.00 1.00 ATOM 132 CA PHE 141 27.133 62.891 74.764 1.00 1.00 ATOM 133 CA ILE 142 28.467 60.392 72.247 1.00 1.00 ATOM 134 CA GLN 143 27.520 60.438 68.583 1.00 1.00 ATOM 135 CA ASP 144 28.796 59.744 65.093 1.00 1.00 ATOM 136 CA ASP 145 29.548 62.638 62.766 1.00 1.00 ATOM 137 CA VAL 146 31.707 63.339 59.738 1.00 1.00 ATOM 138 CA HIS 147 35.229 64.577 59.174 1.00 1.00 ATOM 139 CA VAL 148 35.581 66.990 56.250 1.00 1.00 ATOM 140 CA GLU 149 39.291 67.781 55.987 1.00 1.00 ATOM 141 CA PRO 150 39.246 71.405 54.851 1.00 1.00 ATOM 142 CA TYR 151 42.450 71.402 52.820 1.00 1.00 ATOM 143 CA PHE 152 41.543 68.190 51.015 1.00 1.00 ATOM 144 CA VAL 153 37.993 69.377 50.348 1.00 1.00 ATOM 145 CA CYS 154 39.334 72.650 48.963 1.00 1.00 ATOM 146 CA LYS 155 41.727 70.873 46.570 1.00 1.00 ATOM 147 CA ALA 156 38.861 68.580 45.567 1.00 1.00 ATOM 148 CA TYR 157 36.450 71.448 44.910 1.00 1.00 ATOM 149 CA VAL 158 39.116 73.327 43.001 1.00 1.00 ATOM 150 CA LYS 159 39.691 70.386 40.645 1.00 1.00 ATOM 151 CA ALA 160 35.960 70.030 40.006 1.00 1.00 ATOM 152 CA ALA 161 35.628 73.755 39.354 1.00 1.00 ATOM 153 CA LYS 162 38.705 73.715 37.130 1.00 1.00 ATOM 154 CA MET 163 37.452 70.926 34.880 1.00 1.00 ATOM 155 CA LEU 164 34.128 72.816 34.879 1.00 1.00 ATOM 156 CA GLY 165 35.703 75.763 33.077 1.00 1.00 ATOM 157 CA ALA 166 35.926 78.034 36.119 1.00 1.00 ATOM 158 CA GLU 167 38.963 80.346 36.228 1.00 1.00 ATOM 159 CA ILE 168 40.827 81.367 39.392 1.00 1.00 ATOM 160 CA PHE 169 42.520 84.733 39.803 1.00 1.00 ATOM 161 CA GLU 170 44.932 85.724 42.564 1.00 1.00 ATOM 162 CA HIS 171 43.839 89.282 43.285 1.00 1.00 ATOM 163 CA PRO 173 42.712 91.483 46.131 1.00 1.00 ATOM 164 CA VAL 174 39.387 93.120 45.346 1.00 1.00 ATOM 165 CA LEU 175 39.835 96.641 46.732 1.00 1.00 ATOM 166 CA HIS 176 36.092 97.257 46.271 1.00 1.00 ATOM 167 CA VAL 177 32.918 95.889 44.664 1.00 1.00 ATOM 168 CA GLU 178 32.797 98.818 42.225 1.00 1.00 ATOM 169 CA ARG 179 36.009 97.970 40.371 1.00 1.00 ATOM 170 CA ASP 180 34.682 94.432 39.919 1.00 1.00 ATOM 173 CA GLY 181 35.086 94.988 35.475 1.00 1.00 ATOM 174 CA GLU 182 31.956 93.609 33.824 1.00 1.00 ATOM 175 CA ALA 195 30.554 91.546 36.704 1.00 1.00 ATOM 176 CA ASN 196 26.778 91.155 36.427 1.00 1.00 ATOM 177 CA HIS 197 26.587 89.152 39.666 1.00 1.00 ATOM 178 CA VAL 198 29.160 89.164 42.469 1.00 1.00 ATOM 179 CA VAL 199 29.104 86.469 45.151 1.00 1.00 ATOM 180 CA VAL 200 30.736 87.906 48.265 1.00 1.00 ATOM 181 CA ALA 201 32.363 85.089 50.254 1.00 1.00 ATOM 182 CA SER 202 35.264 87.009 51.744 1.00 1.00 ATOM 183 CA GLY 203 34.794 85.559 55.224 1.00 1.00 ATOM 184 CA VAL 204 36.356 87.513 58.079 1.00 1.00 ATOM 185 CA TRP 205 37.644 90.214 55.719 1.00 1.00 ATOM 186 CA SER 206 34.250 91.131 54.256 1.00 1.00 ATOM 187 CA GLY 207 34.319 94.284 56.365 1.00 1.00 ATOM 188 CA MET 208 36.832 95.811 53.959 1.00 1.00 ATOM 189 CA PHE 209 34.511 95.678 50.933 1.00 1.00 ATOM 190 CA PHE 210 31.577 96.882 53.036 1.00 1.00 ATOM 191 CA LYS 211 31.806 97.847 56.748 1.00 1.00 ATOM 192 CA ASN 216 30.265 95.263 59.019 1.00 1.00 ATOM 193 CA ASN 217 30.409 96.119 62.746 1.00 1.00 ATOM 194 CA ALA 218 28.728 92.806 63.532 1.00 1.00 ATOM 195 CA PHE 219 31.652 90.931 61.958 1.00 1.00 ATOM 196 CA LEU 220 34.569 90.345 64.301 1.00 1.00 ATOM 197 CA PRO 221 37.220 87.620 64.187 1.00 1.00 ATOM 198 CA VAL 222 37.174 84.737 66.630 1.00 1.00 ATOM 199 CA LYS 223 40.873 83.929 66.383 1.00 1.00 ATOM 200 CA GLY 224 41.714 80.306 66.958 1.00 1.00 ATOM 201 CA GLU 225 44.986 78.449 67.262 1.00 1.00 ATOM 202 CA CYS 226 45.480 74.702 66.749 1.00 1.00 ATOM 203 CA LEU 227 48.233 72.085 66.829 1.00 1.00 ATOM 204 CA SER 228 48.308 69.221 64.328 1.00 1.00 ATOM 205 CA VAL 229 50.083 66.242 65.787 1.00 1.00 ATOM 206 CA TRP 230 50.796 62.724 64.525 1.00 1.00 ATOM 207 CA ASN 231 48.967 60.186 66.703 1.00 1.00 ATOM 208 CA ASP 232 47.354 57.493 64.467 1.00 1.00 ATOM 209 CA ASP 233 46.139 55.465 67.468 1.00 1.00 ATOM 210 CA ILE 234 43.428 58.064 68.254 1.00 1.00 ATOM 213 CA LEU 236 37.073 62.822 68.703 1.00 1.00 ATOM 214 CA THR 237 36.828 64.314 72.157 1.00 1.00 ATOM 215 CA LYS 238 35.478 67.827 72.613 1.00 1.00 ATOM 216 CA THR 239 35.418 69.371 76.085 1.00 1.00 ATOM 217 CA LEU 240 33.063 72.175 77.047 1.00 1.00 ATOM 218 CA TYR 241 33.578 74.879 79.675 1.00 1.00 ATOM 219 CA HIS 242 30.554 77.187 79.584 1.00 1.00 ATOM 220 CA ASP 243 32.396 79.942 81.473 1.00 1.00 ATOM 225 CA HIS 244 37.895 77.796 74.510 1.00 1.00 ATOM 226 CA CYS 245 38.447 74.352 75.980 1.00 1.00 ATOM 227 CA TYR 246 40.621 71.374 74.924 1.00 1.00 ATOM 228 CA ILE 247 39.534 69.244 71.988 1.00 1.00 ATOM 229 CA VAL 248 41.064 66.350 70.093 1.00 1.00 ATOM 230 CA PRO 249 39.748 65.906 66.556 1.00 1.00 ATOM 231 CA ARG 250 41.391 63.095 64.609 1.00 1.00 ATOM 232 CA LYS 251 41.700 63.991 60.936 1.00 1.00 ATOM 233 CA SER 252 42.395 61.869 57.876 1.00 1.00 ATOM 234 CA GLY 253 46.069 61.375 58.680 1.00 1.00 ATOM 235 CA ARG 254 46.898 63.762 61.532 1.00 1.00 ATOM 236 CA LEU 255 45.127 64.877 64.707 1.00 1.00 ATOM 237 CA VAL 256 44.026 68.422 65.504 1.00 1.00 ATOM 238 CA VAL 257 44.428 69.645 69.047 1.00 1.00 ATOM 239 CA GLY 258 42.895 72.975 69.909 1.00 1.00 ATOM 240 CA ALA 259 40.945 75.213 72.210 1.00 1.00 ATOM 241 CA THR 260 40.851 79.002 71.598 1.00 1.00 ATOM 242 CA MET 261 38.009 81.223 70.407 1.00 1.00 ATOM 243 CA LYS 262 39.265 84.807 70.880 1.00 1.00 ATOM 244 CA PRO 263 36.776 87.375 69.552 1.00 1.00 ATOM 245 CA GLY 264 38.232 90.756 68.593 1.00 1.00 ATOM 246 CA ASP 265 41.715 89.301 68.314 1.00 1.00 ATOM 247 CA TRP 266 43.388 90.028 64.984 1.00 1.00 ATOM 248 CA SER 267 46.698 88.311 65.694 1.00 1.00 ATOM 249 CA GLU 268 47.796 85.966 62.902 1.00 1.00 ATOM 250 CA THR 269 50.947 84.641 64.572 1.00 1.00 ATOM 251 CA PRO 270 51.134 81.644 66.905 1.00 1.00 ATOM 252 CA ASP 271 50.925 82.569 70.588 1.00 1.00 ATOM 253 CA LEU 272 53.174 80.665 73.046 1.00 1.00 ATOM 254 CA GLY 273 50.646 80.822 75.867 1.00 1.00 ATOM 255 CA GLY 274 48.000 79.429 73.484 1.00 1.00 ATOM 256 CA LEU 275 50.378 76.629 72.485 1.00 1.00 ATOM 257 CA GLU 276 50.689 75.812 76.173 1.00 1.00 ATOM 258 CA SER 277 46.939 75.999 76.803 1.00 1.00 ATOM 259 CA VAL 278 46.312 73.499 74.044 1.00 1.00 ATOM 260 CA MET 279 49.175 71.076 74.581 1.00 1.00 ATOM 261 CA LYS 280 48.822 70.807 78.354 1.00 1.00 ATOM 262 CA LYS 281 45.031 70.632 78.329 1.00 1.00 ATOM 263 CA ALA 282 45.070 68.004 75.601 1.00 1.00 ATOM 264 CA LYS 283 47.684 65.876 77.323 1.00 1.00 ATOM 265 CA THR 284 45.543 65.964 80.453 1.00 1.00 ATOM 266 CA MET 285 42.485 64.845 78.503 1.00 1.00 ATOM 267 CA LEU 286 44.481 62.282 76.536 1.00 1.00 ATOM 268 CA PRO 287 47.770 61.255 78.216 1.00 1.00 ATOM 269 CA ALA 288 48.995 59.187 75.249 1.00 1.00 ATOM 270 CA ILE 289 49.559 62.497 73.438 1.00 1.00 ATOM 271 CA GLN 290 53.082 62.427 74.958 1.00 1.00 ATOM 272 CA ASN 291 54.438 60.152 72.186 1.00 1.00 ATOM 273 CA MET 292 52.813 62.367 69.547 1.00 1.00 ATOM 274 CA LYS 293 55.071 64.284 67.165 1.00 1.00 ATOM 275 CA VAL 294 53.855 67.834 66.611 1.00 1.00 ATOM 276 CA ASP 295 53.439 68.353 62.883 1.00 1.00 ATOM 277 CA ARG 296 52.364 71.985 62.707 1.00 1.00 ATOM 278 CA PHE 297 50.962 74.994 64.548 1.00 1.00 ATOM 279 CA TRP 298 48.370 77.232 62.930 1.00 1.00 ATOM 280 CA ALA 299 46.142 80.217 63.679 1.00 1.00 ATOM 281 CA GLY 300 43.010 81.341 61.861 1.00 1.00 ATOM 282 CA LEU 301 40.047 83.706 62.137 1.00 1.00 ATOM 283 CA ARG 302 36.534 82.325 62.387 1.00 1.00 ATOM 284 CA PRO 303 34.171 84.848 60.726 1.00 1.00 ATOM 285 CA GLY 304 32.252 85.598 63.929 1.00 1.00 ATOM 286 CA THR 305 28.907 87.275 63.269 1.00 1.00 ATOM 287 CA LYS 306 25.578 87.018 65.230 1.00 1.00 ATOM 288 CA ASP 307 24.027 85.708 62.008 1.00 1.00 ATOM 289 CA GLY 308 25.244 84.425 58.678 1.00 1.00 ATOM 290 CA LYS 309 24.966 87.241 56.168 1.00 1.00 ATOM 291 CA PRO 310 23.379 85.616 53.152 1.00 1.00 ATOM 292 CA TYR 311 21.263 88.052 51.130 1.00 1.00 ATOM 293 CA ILE 312 20.859 89.894 47.854 1.00 1.00 ATOM 294 CA GLY 313 22.090 93.490 47.637 1.00 1.00 ATOM 295 CA ARG 314 21.815 95.882 44.692 1.00 1.00 ATOM 296 CA HIS 315 24.743 98.144 43.903 1.00 1.00 ATOM 297 CA PRO 316 23.873 100.765 41.304 1.00 1.00 ATOM 301 CA GLU 317 25.829 99.326 36.394 1.00 1.00 ATOM 302 CA ASP 318 23.171 98.003 38.792 1.00 1.00 ATOM 305 CA ILE 321 25.652 91.319 45.014 1.00 1.00 ATOM 306 CA LEU 322 24.940 88.240 47.101 1.00 1.00 ATOM 307 CA PHE 323 26.681 88.031 50.463 1.00 1.00 ATOM 308 CA ALA 324 27.597 84.705 52.055 1.00 1.00 ATOM 309 CA ALA 325 29.854 85.149 55.078 1.00 1.00 ATOM 310 CA GLY 326 30.063 85.270 58.857 1.00 1.00 ATOM 311 CA HIS 327 29.905 81.524 59.423 1.00 1.00 ATOM 312 CA PHE 328 31.831 81.666 62.693 1.00 1.00 ATOM 313 CA ARG 329 33.076 78.256 63.729 1.00 1.00 ATOM 314 CA ASN 330 30.684 76.236 61.608 1.00 1.00 ATOM 315 CA GLY 331 31.671 77.084 58.040 1.00 1.00 ATOM 316 CA ILE 332 32.462 73.493 57.085 1.00 1.00 ATOM 317 CA LEU 333 29.345 72.402 58.954 1.00 1.00 ATOM 318 CA LEU 334 27.013 74.763 57.069 1.00 1.00 ATOM 319 CA ALA 335 28.752 75.390 53.721 1.00 1.00 ATOM 320 CA PRO 336 26.304 73.427 51.532 1.00 1.00 ATOM 321 CA ALA 337 23.008 74.652 52.964 1.00 1.00 ATOM 322 CA THR 338 24.241 78.174 52.240 1.00 1.00 ATOM 323 CA GLY 339 25.549 77.528 48.702 1.00 1.00 ATOM 324 CA ALA 340 22.103 76.105 47.878 1.00 1.00 ATOM 325 CA LEU 341 20.589 79.317 49.216 1.00 1.00 ATOM 326 CA ILE 342 22.903 81.513 47.140 1.00 1.00 ATOM 327 CA SER 343 22.074 79.368 44.114 1.00 1.00 ATOM 328 CA ASP 344 18.403 80.090 44.896 1.00 1.00 ATOM 329 CA LEU 345 18.901 83.846 45.170 1.00 1.00 ATOM 330 CA ILE 346 20.880 83.710 41.911 1.00 1.00 TER END ################################ # # # END # # # ################################