From mailer@bialko.llnl.gov Sun Aug 18 07:01:19 2002 Date: Sun, 18 Aug 2002 07:01:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 06:33:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_464571_26613 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS189_1 Current information on models submitted in prediction T0162TS189 MODEL_INDEX PIN CODE DATE E-mail T0162TS189_1 PIN_464571_26613 5035-2079-5263 08/18/02 06:33:25 casp5@bialko.llnl.gov T0162TS189_3 PIN_379493_26588 5035-2079-5263 08/18/02 06:24:47 casp5@bialko.llnl.gov T0162TS189_2 PIN_377223_26587 5035-2079-5263 08/18/02 06:24:29 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS189_1 PIN_464571_26613 5035-2079-5263 08/18/02 06:33:25 casp5@bialko.llnl.gov T0162TS189_2 PIN_377223_26587 5035-2079-5263 08/18/02 06:24:29 casp5@bialko.llnl.gov T0162TS189_3 PIN_379493_26588 5035-2079-5263 08/18/02 06:24:47 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 T0162 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1B3J_A # Loading PARENT structure: 1b3j (chain: A) # Number of residues in PARENT structure: 264 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue W 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue I 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue P 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 195 # IMPORTANT NOTE! Not complete main chain atoms for residue V 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 199 # IMPORTANT NOTE! Not complete main chain atoms for residue E 200 # IMPORTANT NOTE! Not complete main chain atoms for residue D 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue H 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue S 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # IMPORTANT NOTE! Not complete main chain atoms for residue S 219 # IMPORTANT NOTE! Not complete main chain atoms for residue S 220 # IMPORTANT NOTE! Not complete main chain atoms for residue D 221 # IMPORTANT NOTE! Not complete main chain atoms for residue V 222 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 223 # IMPORTANT NOTE! Not complete main chain atoms for residue T 224 # IMPORTANT NOTE! Not complete main chain atoms for residue A 225 # IMPORTANT NOTE! Not complete main chain atoms for residue K 226 # IMPORTANT NOTE! Not complete main chain atoms for residue E 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue I 229 # IMPORTANT NOTE! Not complete main chain atoms for residue K 230 # IMPORTANT NOTE! Not complete main chain atoms for residue I 231 # IMPORTANT NOTE! Not complete main chain atoms for residue I 232 # IMPORTANT NOTE! Not complete main chain atoms for residue E 233 # IMPORTANT NOTE! Not complete main chain atoms for residue N 234 # IMPORTANT NOTE! Not complete main chain atoms for residue A 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 241 # IMPORTANT NOTE! Not complete main chain atoms for residue D 252 # IMPORTANT NOTE! Not complete main chain atoms for residue T 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue F 255 # IMPORTANT NOTE! Not complete main chain atoms for residue K 256 # IMPORTANT NOTE! Not complete main chain atoms for residue A 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue R 259 # IMPORTANT NOTE! Not complete main chain atoms for residue R 260 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 73 # Total number of atoms in model: 73 # Number of atoms with 1.0 occupancy: 73 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 73 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1B3J_A ATOM 3 CA GLN 152 121.905 82.851 39.178 1.00 1.00 ATOM 4 CA THR 153 122.872 82.126 42.738 1.00 1.00 ATOM 90 CA TRP 173 126.336 76.086 64.229 1.00 1.00 ATOM 91 CA ARG 174 125.677 76.788 60.598 1.00 1.00 ATOM 92 CA SER 175 126.580 79.729 58.460 1.00 1.00 ATOM 93 CA GLU 176 124.823 79.879 55.141 1.00 1.00 ATOM 94 CA TRP 177 126.265 82.503 52.827 1.00 1.00 ATOM 95 CA LYS 178 123.955 83.272 49.924 1.00 1.00 ATOM 96 CA PHE 179 124.256 85.582 46.905 1.00 1.00 ATOM 97 CA THR 180 122.205 85.816 43.781 1.00 1.00 ATOM 98 CA ILE 181 122.505 87.760 40.527 1.00 1.00 ATOM 99 CA THR 182 119.049 88.862 39.465 1.00 1.00 ATOM 100 CA PRO 183 117.808 89.561 35.933 1.00 1.00 ATOM 101 CA PRO 184 118.201 93.157 37.015 1.00 1.00 ATOM 102 CA THR 185 121.913 92.438 36.690 1.00 1.00 ATOM 103 CA ALA 186 121.578 93.623 40.282 1.00 1.00 ATOM 104 CA LEU 192 123.162 91.721 43.154 1.00 1.00 ATOM 105 CA LYS 193 122.299 90.476 46.621 1.00 1.00 ATOM 106 CA ILE 194 124.545 88.702 49.131 1.00 1.00 ATOM 107 CA GLN 195 123.687 87.656 52.694 1.00 1.00 ATOM 108 CA VAL 196 124.851 85.236 55.371 1.00 1.00 ATOM 109 CA HIS 197 122.781 83.387 57.999 1.00 1.00 ATOM 110 CA TYR 198 123.607 81.733 61.316 1.00 1.00 ATOM 111 CA TYR 199 121.815 78.795 62.948 1.00 1.00 ATOM 112 CA GLU 200 122.103 77.024 66.270 1.00 1.00 ATOM 113 CA ASP 201 121.156 73.382 66.171 1.00 1.00 ATOM 114 CA GLY 202 119.273 74.289 63.014 1.00 1.00 ATOM 115 CA ASN 203 117.453 77.353 64.358 1.00 1.00 ATOM 116 CA VAL 204 118.099 80.609 62.492 1.00 1.00 ATOM 117 CA GLN 205 119.012 83.169 65.150 1.00 1.00 ATOM 118 CA LEU 206 120.912 85.827 63.267 1.00 1.00 ATOM 119 CA VAL 207 121.320 86.961 59.664 1.00 1.00 ATOM 120 CA SER 208 122.924 89.856 57.874 1.00 1.00 ATOM 121 CA HIS 209 122.800 91.579 54.510 1.00 1.00 ATOM 122 CA LYS 210 126.445 91.414 53.466 1.00 1.00 ATOM 123 CA ASP 211 125.886 94.277 51.020 1.00 1.00 ATOM 124 CA ILE 212 124.281 96.752 53.448 1.00 1.00 ATOM 125 CA GLN 213 125.515 94.900 56.542 1.00 1.00 ATOM 126 CA ASP 214 122.134 94.929 58.284 1.00 1.00 ATOM 127 CA SER 215 121.752 92.379 61.114 1.00 1.00 ATOM 128 CA VAL 216 118.393 90.717 61.690 1.00 1.00 ATOM 129 CA GLN 217 116.789 88.285 64.104 1.00 1.00 ATOM 130 CA VAL 218 113.798 86.120 62.932 1.00 1.00 ATOM 131 CA SER 219 110.276 85.863 64.385 1.00 1.00 ATOM 132 CA SER 220 111.505 84.414 67.743 1.00 1.00 ATOM 133 CA ASP 221 113.472 86.130 70.550 1.00 1.00 ATOM 136 CA VAL 222 119.185 87.411 71.061 1.00 1.00 ATOM 137 CA GLN 223 121.921 86.550 73.502 1.00 1.00 ATOM 138 CA THR 224 123.140 83.931 71.040 1.00 1.00 ATOM 139 CA ALA 225 122.959 86.541 68.282 1.00 1.00 ATOM 140 CA LYS 226 124.828 88.994 70.524 1.00 1.00 ATOM 141 CA GLU 227 127.403 86.356 71.435 1.00 1.00 ATOM 142 CA PHE 228 128.171 85.655 67.822 1.00 1.00 ATOM 143 CA ILE 229 127.828 89.233 66.662 1.00 1.00 ATOM 144 CA LYS 230 130.277 90.593 69.207 1.00 1.00 ATOM 145 CA ILE 231 132.933 87.913 68.728 1.00 1.00 ATOM 146 CA ILE 232 132.730 88.403 65.009 1.00 1.00 ATOM 147 CA GLU 233 133.493 92.076 65.656 1.00 1.00 ATOM 148 CA ASN 234 136.214 91.277 68.209 1.00 1.00 ATOM 149 CA ALA 235 138.186 89.090 65.726 1.00 1.00 ATOM 150 CA GLU 236 138.053 92.072 63.345 1.00 1.00 ATOM 151 CA THR 241 140.121 93.942 65.929 1.00 1.00 ATOM 162 CA ASP 252 132.750 89.913 47.565 1.00 1.00 ATOM 163 CA THR 253 134.233 86.423 47.414 1.00 1.00 ATOM 164 CA THR 254 130.879 84.808 46.816 1.00 1.00 ATOM 165 CA PHE 255 129.795 86.862 43.826 1.00 1.00 ATOM 166 CA LYS 256 133.469 86.862 42.836 1.00 1.00 ATOM 167 CA ALA 257 133.126 83.118 42.693 1.00 1.00 ATOM 168 CA LEU 258 129.679 83.052 41.172 1.00 1.00 ATOM 169 CA ARG 259 130.808 85.386 38.405 1.00 1.00 ATOM 170 CA ARG 260 133.823 83.141 37.959 1.00 1.00 ATOM 171 CA GLN 261 131.955 79.840 37.565 1.00 1.00 ATOM 172 CA LEU 262 129.590 81.672 35.288 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:52:29 2002 Date: Sun, 18 Aug 2002 06:52:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 06:24:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_377223_26587 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS189_2 Current information on models submitted in prediction T0162TS189 MODEL_INDEX PIN CODE DATE E-mail T0162TS189_2 PIN_377223_26587 5035-2079-5263 08/18/02 06:24:29 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS189_2 PIN_377223_26587 5035-2079-5263 08/18/02 06:24:29 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 T0162 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 8RUC_I # Loading PARENT structure: 8ruc (chain: I) # Number of residues in PARENT structure: 123 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 A 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue P 26 # IMPORTANT NOTE! Not complete main chain atoms for residue G 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue F 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue D 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue L 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue N 58 # IMPORTANT NOTE! Not complete main chain atoms for residue M 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue F 62 # IMPORTANT NOTE! Not complete main chain atoms for residue T 63 # IMPORTANT NOTE! Not complete main chain atoms for residue P 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue E 68 # IMPORTANT NOTE! Not complete main chain atoms for residue G 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 71 # IMPORTANT NOTE! Not complete main chain atoms for residue D 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue L 75 # IMPORTANT NOTE! Not complete main chain atoms for residue I 76 # IMPORTANT NOTE! Not complete main chain atoms for residue T 77 # IMPORTANT NOTE! Not complete main chain atoms for residue E 78 # IMPORTANT NOTE! Not complete main chain atoms for residue H 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 95 # IMPORTANT NOTE! Not complete main chain atoms for residue F 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue C 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue S 126 # IMPORTANT NOTE! Not complete main chain atoms for residue A 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 129 # IMPORTANT NOTE! Not complete main chain atoms for residue A 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # IMPORTANT NOTE! Not complete main chain atoms for residue K 133 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue P 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue D 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue C 157 # IMPORTANT NOTE! Not complete main chain atoms for residue I 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue S 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 162 # IMPORTANT NOTE! Not complete main chain atoms for residue F 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue N 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 107 # Total number of atoms in model: 107 # Number of atoms with 1.0 occupancy: 107 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 107 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 8RUC_I ATOM 17 CA HIS 23 -29.073 44.872 7.696 1.00 1.00 ATOM 18 CA ALA 24 -31.569 46.625 5.427 1.00 1.00 ATOM 19 CA PRO 25 -31.346 47.037 1.652 1.00 1.00 ATOM 20 CA PRO 26 -28.915 49.829 0.666 1.00 1.00 ATOM 21 CA GLY 27 -30.298 53.329 1.254 1.00 1.00 ATOM 22 CA GLU 28 -31.582 55.223 -1.782 1.00 1.00 ATOM 23 CA PHE 29 -30.857 58.942 -2.153 1.00 1.00 ATOM 24 CA ASN 30 -34.307 59.713 -0.733 1.00 1.00 ATOM 25 CA GLU 31 -33.950 57.282 2.179 1.00 1.00 ATOM 26 CA VAL 32 -30.579 58.811 3.054 1.00 1.00 ATOM 27 CA PHE 33 -32.054 62.310 2.918 1.00 1.00 ATOM 28 CA ASN 34 -34.820 61.168 5.323 1.00 1.00 ATOM 29 CA ASP 35 -32.227 60.006 7.876 1.00 1.00 ATOM 30 CA VAL 36 -30.495 63.398 7.769 1.00 1.00 ATOM 31 CA ARG 37 -33.945 65.016 8.129 1.00 1.00 ATOM 32 CA LEU 38 -34.590 62.967 11.268 1.00 1.00 ATOM 33 CA LEU 39 -31.241 64.008 12.742 1.00 1.00 ATOM 34 CA LEU 40 -31.846 67.730 12.147 1.00 1.00 ATOM 35 CA ASN 58 -35.513 67.594 13.200 1.00 1.00 ATOM 36 CA MET 59 -34.299 66.385 16.602 1.00 1.00 ATOM 37 CA ASP 60 -31.923 69.331 16.973 1.00 1.00 ATOM 38 CA GLN 61 -28.839 67.109 16.886 1.00 1.00 ATOM 39 CA PHE 62 -25.509 68.320 15.447 1.00 1.00 ATOM 40 CA THR 63 -24.364 66.494 12.288 1.00 1.00 ATOM 41 CA PRO 64 -20.771 65.393 11.699 1.00 1.00 ATOM 42 CA VAL 65 -18.906 63.213 9.214 1.00 1.00 ATOM 43 CA LYS 66 -16.111 60.758 10.023 1.00 1.00 ATOM 44 CA ILE 67 -13.956 58.798 7.592 1.00 1.00 ATOM 45 CA GLU 68 -11.401 55.987 7.808 1.00 1.00 ATOM 46 CA GLY 69 -9.127 54.294 5.277 1.00 1.00 ATOM 47 CA ASP 71 -6.979 51.754 7.169 1.00 1.00 ATOM 48 CA ASP 72 -9.148 50.040 9.764 1.00 1.00 ATOM 49 CA GLN 73 -12.786 50.047 8.768 1.00 1.00 ATOM 50 CA VAL 74 -13.381 47.513 11.566 1.00 1.00 ATOM 51 CA LEU 75 -12.591 47.087 15.262 1.00 1.00 ATOM 52 CA ILE 76 -9.434 45.194 16.219 1.00 1.00 ATOM 53 CA THR 77 -7.220 44.716 19.299 1.00 1.00 ATOM 54 CA GLU 78 -3.582 45.645 18.913 1.00 1.00 ATOM 55 CA HIS 79 -2.586 47.684 21.978 1.00 1.00 ATOM 56 CA GLY 80 -4.664 46.126 24.767 1.00 1.00 ATOM 57 CA GLY 83 -7.154 43.360 25.519 1.00 1.00 ATOM 58 CA ASN 84 -8.685 44.517 28.820 1.00 1.00 ATOM 59 CA GLY 85 -12.487 44.800 29.239 1.00 1.00 ATOM 60 CA ARG 86 -13.930 47.556 27.065 1.00 1.00 ATOM 61 CA PHE 87 -10.742 48.306 25.146 1.00 1.00 ATOM 62 CA LEU 88 -10.827 48.119 21.356 1.00 1.00 ATOM 63 CA ASP 89 -8.756 49.845 18.672 1.00 1.00 ATOM 64 CA PRO 90 -10.491 51.180 15.580 1.00 1.00 ATOM 65 CA ARG 91 -13.493 52.838 17.270 1.00 1.00 ATOM 66 CA ASN 92 -12.179 56.340 16.620 1.00 1.00 ATOM 67 CA LYS 93 -12.210 57.439 12.993 1.00 1.00 ATOM 68 CA ILE 94 -11.119 60.818 11.710 1.00 1.00 ATOM 69 CA SER 95 -13.247 63.945 11.689 1.00 1.00 ATOM 70 CA PHE 96 -14.166 65.620 8.408 1.00 1.00 ATOM 71 CA ASP 107 -13.783 69.314 9.244 1.00 1.00 ATOM 72 CA PRO 108 -15.918 70.156 12.290 1.00 1.00 ATOM 73 CA GLN 109 -19.369 69.207 13.612 1.00 1.00 ATOM 74 CA PRO 110 -21.977 71.284 11.801 1.00 1.00 ATOM 75 CA GLU 111 -23.113 73.458 14.708 1.00 1.00 ATOM 76 CA ASP 112 -26.184 75.491 13.794 1.00 1.00 ATOM 77 CA THR 113 -26.827 73.532 10.582 1.00 1.00 ATOM 78 CA GLU 114 -30.503 73.622 9.620 1.00 1.00 ATOM 79 CA SER 115 -30.328 72.431 6.017 1.00 1.00 ATOM 80 CA ALA 116 -29.928 68.695 5.222 1.00 1.00 ATOM 81 CA ASP 122 -28.534 69.710 1.829 1.00 1.00 ATOM 82 CA ALA 123 -25.413 71.069 3.538 1.00 1.00 ATOM 83 CA CYS 124 -24.732 67.701 5.150 1.00 1.00 ATOM 84 CA ASP 125 -25.236 65.883 1.859 1.00 1.00 ATOM 85 CA SER 126 -22.939 68.398 0.156 1.00 1.00 ATOM 86 CA ALA 127 -20.204 67.668 2.693 1.00 1.00 ATOM 87 CA ARG 129 -20.742 63.951 2.076 1.00 1.00 ATOM 88 CA ALA 130 -20.105 64.503 -1.628 1.00 1.00 ATOM 89 CA TYR 131 -17.039 66.638 -0.911 1.00 1.00 ATOM 90 CA VAL 132 -15.676 64.063 1.527 1.00 1.00 ATOM 91 CA LYS 133 -16.275 61.332 -1.079 1.00 1.00 ATOM 92 CA ASP 134 -14.318 63.085 -3.857 1.00 1.00 ATOM 93 CA HIS 135 -11.355 63.649 -1.547 1.00 1.00 ATOM 94 CA TYR 136 -11.492 60.176 0.016 1.00 1.00 ATOM 95 CA PRO 137 -12.881 57.656 -2.520 1.00 1.00 ATOM 96 CA ASN 138 -11.192 54.792 -0.670 1.00 1.00 ATOM 97 CA GLY 139 -12.595 55.582 2.753 1.00 1.00 ATOM 98 CA PHE 140 -15.603 54.380 4.701 1.00 1.00 ATOM 99 CA CYS 141 -17.693 57.444 5.623 1.00 1.00 ATOM 100 CA THR 142 -20.321 57.678 8.355 1.00 1.00 ATOM 101 CA VAL 143 -22.700 60.404 9.438 1.00 1.00 ATOM 102 CA TYR 144 -23.233 60.945 13.156 1.00 1.00 ATOM 103 CA GLY 145 -25.470 63.237 15.164 1.00 1.00 ATOM 104 CA LYS 146 -24.555 64.627 18.570 1.00 1.00 ATOM 105 CA SER 147 -26.958 65.361 21.408 1.00 1.00 ATOM 106 CA ILE 148 -25.036 68.016 23.365 1.00 1.00 ATOM 107 CA ASP 149 -27.432 67.857 26.324 1.00 1.00 ATOM 108 CA GLY 150 -26.757 64.188 26.984 1.00 1.00 ATOM 109 CA GLN 151 -23.416 64.262 25.222 1.00 1.00 ATOM 110 CA GLN 152 -24.176 61.052 23.331 1.00 1.00 ATOM 111 CA THR 153 -24.369 60.251 19.631 1.00 1.00 ATOM 112 CA CYS 157 -28.023 59.607 18.835 1.00 1.00 ATOM 113 CA ILE 158 -27.344 58.842 15.162 1.00 1.00 ATOM 114 CA GLU 159 -24.549 56.905 13.470 1.00 1.00 ATOM 115 CA SER 160 -24.757 55.130 10.122 1.00 1.00 ATOM 116 CA HIS 161 -22.503 54.346 7.184 1.00 1.00 ATOM 117 CA GLN 162 -23.158 56.608 4.186 1.00 1.00 ATOM 118 CA PHE 163 -20.326 55.473 1.886 1.00 1.00 ATOM 119 CA GLN 164 -18.138 52.394 1.503 1.00 1.00 ATOM 120 CA PRO 165 -15.095 51.992 -0.797 1.00 1.00 ATOM 121 CA LYS 166 -15.102 49.564 -3.729 1.00 1.00 ATOM 122 CA ASN 167 -15.328 45.939 -2.674 1.00 1.00 ATOM 123 CA PHE 168 -17.502 46.495 0.389 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Aug 18 06:52:40 2002 Date: Sun, 18 Aug 2002 06:52:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0162 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 06:24:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_379493_26588 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0162TS189_3 Current information on models submitted in prediction T0162TS189 MODEL_INDEX PIN CODE DATE E-mail T0162TS189_3 PIN_379493_26588 5035-2079-5263 08/18/02 06:24:47 casp5@bialko.llnl.gov T0162TS189_2 PIN_377223_26587 5035-2079-5263 08/18/02 06:24:29 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 T0162 MODEL_INDEX PIN CODE DATE E-mail T0162TS189_2 PIN_377223_26587 5035-2079-5263 08/18/02 06:24:29 casp5@bialko.llnl.gov T0162TS189_3 PIN_379493_26588 5035-2079-5263 08/18/02 06:24:47 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 T0162 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1A2V_A # Loading PARENT structure: 1a2v (chain: A) # Number of residues in PARENT structure: 654 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue N 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue R 86 # IMPORTANT NOTE! Not complete main chain atoms for residue F 87 # IMPORTANT NOTE! Not complete main chain atoms for residue L 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue R 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue I 94 # IMPORTANT NOTE! Not complete main chain atoms for residue S 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 F 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 101 # IMPORTANT NOTE! Not complete main chain atoms for residue R 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 104 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue D 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue P 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue D 112 # IMPORTANT NOTE! Not complete main chain atoms for residue T 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue W 120 # IMPORTANT NOTE! Not complete main chain atoms for residue R 121 # IMPORTANT NOTE! Not complete main chain atoms for residue D 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue C 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 134 # IMPORTANT NOTE! Not complete main chain atoms for residue H 135 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 136 # IMPORTANT NOTE! Not complete main chain atoms for residue P 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue C 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue V 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue G 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue D 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue T 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 162 # IMPORTANT NOTE! Not complete main chain atoms for residue F 163 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue K 166 # IMPORTANT NOTE! Not complete main chain atoms for residue N 167 # IMPORTANT NOTE! Not complete main chain atoms for residue F 168 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue W 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue W 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue T 180 # IMPORTANT NOTE! Not complete main chain atoms for residue I 181 # IMPORTANT NOTE! Not complete main chain atoms for residue T 182 # IMPORTANT NOTE! Not complete main chain atoms for residue P 183 # IMPORTANT NOTE! Not complete main chain atoms for residue P 184 # IMPORTANT NOTE! Not complete main chain atoms for residue T 185 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue V 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue K 193 # IMPORTANT NOTE! Not complete main chain atoms for residue I 194 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 195 # IMPORTANT NOTE! Not complete main chain atoms for residue V 196 # IMPORTANT NOTE! Not complete main chain atoms for residue H 197 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 198 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 199 # IMPORTANT NOTE! Not complete main chain atoms for residue E 200 # IMPORTANT NOTE! Not complete main chain atoms for residue D 201 # IMPORTANT NOTE! Not complete main chain atoms for residue G 202 # IMPORTANT NOTE! Not complete main chain atoms for residue N 203 # IMPORTANT NOTE! Not complete main chain atoms for residue V 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue H 209 # IMPORTANT NOTE! Not complete main chain atoms for residue K 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue I 212 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 213 # IMPORTANT NOTE! Not complete main chain atoms for residue D 214 # IMPORTANT NOTE! Not complete main chain atoms for residue S 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0162 # Total number of residues in target: 286 # Total number of residues in model: 114 # Total number of atoms in model: 114 # Number of atoms with 1.0 occupancy: 114 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 114 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0162 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1A2V_A ATOM 188 CA GLY 80 12.623 74.659 -46.364 1.00 1.00 ATOM 189 CA ASP 81 14.998 71.776 -47.065 1.00 1.00 ATOM 190 CA LEU 82 14.102 69.169 -49.708 1.00 1.00 ATOM 191 CA GLY 83 14.220 65.441 -49.127 1.00 1.00 ATOM 192 CA ASN 84 16.695 64.248 -51.767 1.00 1.00 ATOM 193 CA GLY 85 20.462 64.554 -52.228 1.00 1.00 ATOM 194 CA ARG 86 22.099 64.994 -55.691 1.00 1.00 ATOM 195 CA PHE 87 25.689 63.753 -56.187 1.00 1.00 ATOM 196 CA LEU 88 27.688 65.910 -58.581 1.00 1.00 ATOM 197 CA ASP 89 30.854 65.209 -60.550 1.00 1.00 ATOM 198 CA PRO 90 32.965 68.335 -59.903 1.00 1.00 ATOM 199 CA ARG 91 35.193 68.026 -62.975 1.00 1.00 ATOM 200 CA ASN 92 32.486 66.802 -65.365 1.00 1.00 ATOM 201 CA LYS 93 30.067 69.334 -63.888 1.00 1.00 ATOM 202 CA ILE 94 27.055 67.005 -63.918 1.00 1.00 ATOM 203 CA SER 95 24.760 65.114 -61.564 1.00 1.00 ATOM 204 CA PHE 96 25.812 61.446 -61.558 1.00 1.00 ATOM 205 CA LYS 97 23.360 60.192 -58.927 1.00 1.00 ATOM 206 CA PHE 98 20.576 61.297 -56.617 1.00 1.00 ATOM 207 CA ASP 99 20.031 59.793 -53.187 1.00 1.00 ATOM 208 CA HIS 100 16.270 59.591 -52.688 1.00 1.00 ATOM 209 CA LEU 101 14.655 58.563 -49.390 1.00 1.00 ATOM 210 CA ARG 102 12.272 55.631 -49.234 1.00 1.00 ATOM 211 CA LYS 103 9.841 57.931 -47.476 1.00 1.00 ATOM 212 CA GLU 104 9.101 61.024 -49.564 1.00 1.00 ATOM 213 CA SER 106 8.508 64.414 -47.952 1.00 1.00 ATOM 214 CA ASP 107 7.363 67.263 -50.177 1.00 1.00 ATOM 215 CA PRO 108 8.314 70.910 -49.658 1.00 1.00 ATOM 216 CA GLN 109 7.091 72.496 -46.494 1.00 1.00 ATOM 217 CA PRO 110 4.082 74.714 -47.056 1.00 1.00 ATOM 218 CA GLU 111 4.832 76.941 -44.082 1.00 1.00 ATOM 219 CA ASP 112 6.149 80.498 -44.197 1.00 1.00 ATOM 220 CA THR 113 9.916 80.717 -44.288 1.00 1.00 ATOM 221 CA GLU 114 11.522 81.450 -40.900 1.00 1.00 ATOM 222 CA SER 115 13.261 84.753 -41.668 1.00 1.00 ATOM 224 CA ALA 116 15.919 90.463 -41.343 1.00 1.00 ATOM 225 CA LEU 117 14.235 93.546 -39.809 1.00 1.00 ATOM 226 CA LYS 118 11.545 93.703 -42.460 1.00 1.00 ATOM 227 CA GLN 119 10.746 90.084 -41.698 1.00 1.00 ATOM 228 CA TRP 120 10.798 90.693 -37.965 1.00 1.00 ATOM 229 CA ARG 121 8.563 93.748 -38.175 1.00 1.00 ATOM 230 CA ASP 122 6.097 91.453 -39.854 1.00 1.00 ATOM 231 CA ALA 123 6.621 88.523 -37.451 1.00 1.00 ATOM 232 CA CYS 124 6.542 90.455 -34.198 1.00 1.00 ATOM 233 CA ASP 134 4.959 93.891 -34.367 1.00 1.00 ATOM 234 CA HIS 135 8.175 95.855 -34.823 1.00 1.00 ATOM 235 CA TYR 136 11.880 96.095 -34.100 1.00 1.00 ATOM 236 CA PRO 137 13.244 97.145 -30.744 1.00 1.00 ATOM 237 CA ASN 138 14.235 100.819 -30.655 1.00 1.00 ATOM 238 CA GLY 139 17.886 101.527 -31.388 1.00 1.00 ATOM 239 CA PHE 140 19.758 101.464 -28.076 1.00 1.00 ATOM 240 CA CYS 141 21.840 104.285 -26.560 1.00 1.00 ATOM 241 CA THR 142 25.328 103.926 -28.007 1.00 1.00 ATOM 242 CA VAL 143 28.383 102.751 -26.115 1.00 1.00 ATOM 243 CA TYR 144 31.331 104.423 -27.828 1.00 1.00 ATOM 244 CA GLY 145 34.862 103.117 -27.522 1.00 1.00 ATOM 245 CA LYS 146 37.598 105.582 -28.286 1.00 1.00 ATOM 246 CA SER 147 41.388 105.548 -28.162 1.00 1.00 ATOM 247 CA ILE 148 42.304 109.249 -28.529 1.00 1.00 ATOM 248 CA ASP 149 46.028 108.752 -28.197 1.00 1.00 ATOM 249 CA GLY 150 46.221 105.641 -30.314 1.00 1.00 ATOM 250 CA GLN 151 46.748 101.989 -29.473 1.00 1.00 ATOM 251 CA GLN 152 49.484 100.478 -27.344 1.00 1.00 ATOM 252 CA THR 153 50.517 97.768 -29.800 1.00 1.00 ATOM 253 CA GLN 162 53.087 98.168 -32.542 1.00 1.00 ATOM 254 CA PHE 163 53.029 96.259 -35.837 1.00 1.00 ATOM 255 CA GLN 164 56.066 96.105 -38.074 1.00 1.00 ATOM 256 CA PRO 165 54.776 94.380 -41.153 1.00 1.00 ATOM 257 CA LYS 166 53.114 91.241 -39.878 1.00 1.00 ATOM 258 CA ASN 167 55.255 91.303 -36.741 1.00 1.00 ATOM 259 CA PHE 168 53.313 92.292 -33.647 1.00 1.00 ATOM 260 CA ARG 172 54.599 93.794 -30.415 1.00 1.00 ATOM 261 CA TRP 173 52.408 94.256 -27.371 1.00 1.00 ATOM 263 CA ARG 174 56.260 92.271 -23.991 1.00 1.00 ATOM 264 CA SER 175 54.811 89.768 -26.410 1.00 1.00 ATOM 265 CA GLU 176 56.270 89.606 -29.880 1.00 1.00 ATOM 266 CA TRP 177 55.121 87.340 -32.662 1.00 1.00 ATOM 267 CA LYS 178 54.454 87.049 -36.384 1.00 1.00 ATOM 268 CA PHE 179 50.886 87.046 -37.670 1.00 1.00 ATOM 269 CA THR 180 50.674 84.784 -40.722 1.00 1.00 ATOM 270 CA ILE 181 47.689 83.505 -42.698 1.00 1.00 ATOM 271 CA THR 182 46.893 80.868 -45.278 1.00 1.00 ATOM 272 CA PRO 183 44.088 79.318 -47.316 1.00 1.00 ATOM 273 CA PRO 184 43.688 76.372 -44.960 1.00 1.00 ATOM 274 CA THR 185 44.389 77.190 -41.336 1.00 1.00 ATOM 275 CA ALA 190 43.538 80.860 -41.533 1.00 1.00 ATOM 276 CA VAL 191 45.493 82.769 -38.888 1.00 1.00 ATOM 277 CA LEU 192 48.882 81.316 -37.980 1.00 1.00 ATOM 278 CA LYS 193 50.842 82.787 -35.063 1.00 1.00 ATOM 279 CA ILE 194 54.579 82.143 -35.090 1.00 1.00 ATOM 280 CA GLN 195 57.790 82.907 -33.258 1.00 1.00 ATOM 281 CA VAL 196 55.953 83.896 -30.068 1.00 1.00 ATOM 282 CA HIS 197 58.127 85.232 -27.278 1.00 1.00 ATOM 283 CA TYR 198 57.929 87.365 -24.149 1.00 1.00 ATOM 284 CA TYR 199 60.328 90.093 -23.133 1.00 1.00 ATOM 285 CA GLU 200 61.020 89.198 -19.510 1.00 1.00 ATOM 286 CA ASP 201 62.557 92.524 -18.475 1.00 1.00 ATOM 287 CA GLY 202 65.277 92.321 -21.075 1.00 1.00 ATOM 288 CA ASN 203 65.393 88.583 -21.343 1.00 1.00 ATOM 289 CA VAL 204 63.436 87.670 -24.461 1.00 1.00 ATOM 290 CA GLN 205 62.086 84.189 -23.870 1.00 1.00 ATOM 291 CA LEU 206 60.539 81.953 -26.531 1.00 1.00 ATOM 292 CA VAL 207 57.178 80.352 -25.831 1.00 1.00 ATOM 293 CA SER 208 55.785 78.873 -29.040 1.00 1.00 ATOM 294 CA HIS 209 57.328 78.486 -32.465 1.00 1.00 ATOM 295 CA LYS 210 53.936 78.115 -34.150 1.00 1.00 ATOM 296 CA ASP 211 50.285 77.800 -33.135 1.00 1.00 ATOM 297 CA ILE 212 47.056 77.505 -35.117 1.00 1.00 ATOM 298 CA GLN 213 44.008 75.352 -35.823 1.00 1.00 ATOM 299 CA ASP 214 45.101 72.451 -38.061 1.00 1.00 ATOM 300 CA SER 215 41.814 70.659 -38.726 1.00 1.00 ATOM 301 CA VAL 216 38.202 70.202 -37.653 1.00 1.00 ATOM 302 CA GLN 217 35.369 67.716 -37.931 1.00 1.00 ATOM 303 CA VAL 218 31.703 68.438 -37.417 1.00 1.00 TER END ################################ # # # END # # # ################################