From mailer@bialko.llnl.gov Fri Jul 19 15:58:49 2002 Date: Fri, 19 Jul 2002 15:58:44 -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 Fri Jul 19 15:31:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_430151_12797 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159SS389_1 Current information on models submitted in prediction T0159SS389 MODEL_INDEX PIN CODE DATE E-mail T0159SS389_1 PIN_430151_12797 1549-8716-6404 07/19/02 15:31:13 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159SS389_1 PIN_430151_12797 1549-8716-6404 07/19/02 15:31:13 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 T0159 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: 309 # Number of residues with nonzero confidence: 309 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0159 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0159.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0159.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0159.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 T0159.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0159 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 T0159.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 45 METHOD METHOD ============================================ METHOD Comments from T0159.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0159 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 T0159.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 45 METHOD METHOD ============================================ METHOD Comments from T0159.t2k.str.rdb METHOD ============================================ METHOD TARGET T0159 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 T0159.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 45 METHOD METHOD ============================================ MODEL 1 A C 0.77 D C 0.72 L C 0.76 P C 0.66 G C 0.66 K C 0.68 G C 0.87 I C 0.84 T E 0.53 V E 0.79 N E 0.88 P E 0.88 V E 0.79 Q E 0.53 S C 0.76 T C 0.87 I H 0.56 T H 0.69 E H 0.87 E H 0.93 T H 0.93 F H 0.95 Q H 0.96 T H 0.97 L H 0.97 L H 0.98 V H 0.98 S H 0.98 R H 0.97 A H 0.97 L H 0.97 E H 0.96 K H 0.90 L C 0.53 G C 0.97 Y C 0.94 T C 0.74 V C 0.60 N C 0.53 K E 0.55 P C 0.53 S C 0.50 E C 0.51 V C 0.70 D C 0.72 Y C 0.50 N H 0.45 V H 0.62 G H 0.69 Y H 0.75 T H 0.77 S H 0.79 L H 0.81 A H 0.76 S C 0.55 G C 0.93 D C 0.89 A C 0.53 T E 0.52 F E 0.73 T E 0.71 A H 0.39 V H 0.53 N H 0.56 W H 0.48 T C 0.63 P C 0.63 L C 0.65 H C 0.66 D H 0.59 N H 0.86 M H 0.90 Y H 0.91 E H 0.92 A H 0.90 A H 0.86 G H 0.75 G H 0.54 D C 0.67 K C 0.88 K C 0.71 F E 0.66 Y E 0.75 R E 0.72 E E 0.58 G C 0.53 V C 0.53 F C 0.60 V C 0.69 N C 0.74 G C 0.72 A C 0.48 A E 0.66 Q E 0.80 G E 0.84 Y E 0.88 L E 0.82 I E 0.59 D C 0.70 K H 0.58 K H 0.69 T H 0.75 A H 0.59 D C 0.52 Q C 0.84 Y C 0.91 K C 0.93 I C 0.83 T C 0.78 N C 0.81 I H 0.80 A H 0.75 Q H 0.82 L H 0.69 K H 0.52 D C 0.61 P C 0.65 K C 0.59 I H 0.47 A C 0.47 K C 0.47 L C 0.66 F C 0.74 D C 0.86 T C 0.81 N C 0.80 G C 0.79 D C 0.80 G C 0.80 K C 0.78 A C 0.61 D E 0.56 L E 0.69 T E 0.54 G C 0.64 C C 0.79 N C 0.83 P C 0.84 G C 0.80 W C 0.69 G C 0.54 C H 0.75 E H 0.83 G H 0.91 A H 0.93 I H 0.95 N H 0.96 H H 0.96 Q H 0.96 L H 0.95 A H 0.93 A H 0.84 Y C 0.51 E C 0.87 L C 0.87 T C 0.84 N C 0.86 T C 0.82 V E 0.71 T E 0.90 H E 0.89 N E 0.70 Q C 0.64 G C 0.88 N C 0.84 Y H 0.79 A H 0.93 A H 0.95 M H 0.96 M H 0.97 A H 0.97 D H 0.97 T H 0.97 I H 0.97 S H 0.96 R H 0.96 Y H 0.92 K H 0.68 E C 0.74 G C 0.97 K C 0.96 P C 0.77 V E 0.86 F E 0.97 Y E 0.97 Y E 0.95 T E 0.79 W C 0.50 T C 0.76 P C 0.77 Y C 0.62 W C 0.46 V H 0.51 S H 0.60 N C 0.49 E C 0.54 L C 0.70 K C 0.92 P C 0.92 G C 0.91 K C 0.78 D C 0.62 V E 0.45 V E 0.47 W E 0.47 L C 0.58 Q C 0.72 V C 0.85 P C 0.85 F C 0.77 S C 0.71 A C 0.75 L C 0.81 P C 0.81 G C 0.76 D C 0.72 K C 0.70 N C 0.73 A C 0.67 D C 0.67 T C 0.70 K C 0.77 L C 0.82 P C 0.81 N C 0.80 G C 0.70 A C 0.62 N C 0.58 Y C 0.67 G C 0.78 F C 0.79 P C 0.79 V H 0.50 S H 0.66 T H 0.72 M H 0.75 H H 0.76 I H 0.77 V H 0.78 A H 0.77 N H 0.73 K H 0.78 A H 0.73 W H 0.81 A H 0.87 E H 0.77 K H 0.77 N C 0.66 P H 0.81 A H 0.87 A H 0.96 A H 0.97 K H 0.97 L H 0.97 F H 0.96 A H 0.92 I H 0.74 M C 0.64 Q C 0.93 L C 0.93 P C 0.97 V H 0.85 A H 0.91 D H 0.93 I H 0.95 N H 0.94 A H 0.95 Q H 0.96 N H 0.97 A H 0.97 I H 0.96 M H 0.96 H H 0.89 A H 0.61 G C 0.72 A C 0.77 A C 0.78 S C 0.83 E C 0.84 G C 0.84 D C 0.84 I H 0.92 Q H 0.95 G H 0.97 H H 0.97 V H 0.97 D H 0.97 G H 0.97 W H 0.97 I H 0.97 K H 0.95 A H 0.89 H H 0.55 Q H 0.91 Q H 0.90 Q H 0.91 F H 0.88 D H 0.85 G H 0.81 W H 0.72 V H 0.52 N C 0.52 E H 0.86 A H 0.86 L H 0.85 A H 0.75 A H 0.59 Q C 0.63 K C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:31:08 2002 Date: Wed, 14 Aug 2002 02:31:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:03:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_161923_22854 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS189_2 Current information on models submitted in prediction T0159TS189 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 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 TS PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1WDN_A # Loading PARENT structure: 1wdn (chain: A) # Number of residues in PARENT structure: 223 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue S 28 # IMPORTANT NOTE! Not complete main chain atoms for residue R 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue S 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue N 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue W 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue P 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # IMPORTANT NOTE! Not complete main chain atoms for residue K 81 # IMPORTANT NOTE! Not complete main chain atoms for residue F 82 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue E 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue N 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 94 # IMPORTANT NOTE! Not complete main chain atoms for residue G 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue T 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue D 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue G 135 # IMPORTANT NOTE! Not complete main chain atoms for residue C 136 # IMPORTANT NOTE! Not complete main chain atoms for residue N 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue W 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue T 156 # IMPORTANT NOTE! Not complete main chain atoms for residue N 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 118 # Total number of atoms in model: 118 # Number of atoms with 1.0 occupancy: 118 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 118 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1WDN_A ATOM 27 CA PHE 22 11.235 21.549 13.635 1.00 1.00 ATOM 28 CA GLN 23 7.618 22.431 12.662 1.00 1.00 ATOM 29 CA THR 24 7.958 25.950 14.090 1.00 1.00 ATOM 30 CA LEU 25 11.067 26.632 11.985 1.00 1.00 ATOM 31 CA LEU 26 9.740 24.873 8.887 1.00 1.00 ATOM 32 CA VAL 27 6.573 26.935 9.045 1.00 1.00 ATOM 33 CA SER 28 8.434 30.179 9.855 1.00 1.00 ATOM 34 CA ARG 29 10.393 29.375 6.675 1.00 1.00 ATOM 35 CA ALA 30 7.305 28.668 4.568 1.00 1.00 ATOM 36 CA LEU 31 5.541 31.758 6.007 1.00 1.00 ATOM 37 CA GLU 32 8.663 33.756 5.111 1.00 1.00 ATOM 38 CA LYS 33 8.696 32.314 1.604 1.00 1.00 ATOM 39 CA LEU 34 5.025 33.125 1.007 1.00 1.00 ATOM 40 CA GLY 35 4.794 36.374 3.002 1.00 1.00 ATOM 41 CA TYR 36 2.088 35.091 5.295 1.00 1.00 ATOM 42 CA THR 37 1.486 36.687 8.651 1.00 1.00 ATOM 43 CA VAL 38 0.449 34.506 11.516 1.00 1.00 ATOM 44 CA ASN 39 0.430 33.626 15.156 1.00 1.00 ATOM 45 CA PRO 41 0.769 30.067 16.473 1.00 1.00 ATOM 46 CA SER 42 -1.701 28.507 18.905 1.00 1.00 ATOM 47 CA GLU 43 -0.574 25.417 20.785 1.00 1.00 ATOM 48 CA VAL 44 -3.243 22.970 21.922 1.00 1.00 ATOM 49 CA ASP 45 -3.654 19.352 22.942 1.00 1.00 ATOM 50 CA TYR 46 -3.419 17.294 19.760 1.00 1.00 ATOM 51 CA ASN 47 -6.944 15.938 20.332 1.00 1.00 ATOM 52 CA VAL 48 -8.468 19.329 19.633 1.00 1.00 ATOM 53 CA GLY 49 -6.567 20.105 16.445 1.00 1.00 ATOM 54 CA TYR 50 -8.548 18.174 13.816 1.00 1.00 ATOM 55 CA THR 51 -11.807 19.362 15.406 1.00 1.00 ATOM 56 CA SER 52 -10.318 22.894 15.394 1.00 1.00 ATOM 57 CA LEU 53 -9.553 22.797 11.639 1.00 1.00 ATOM 58 CA ALA 54 -13.018 21.368 10.964 1.00 1.00 ATOM 59 CA SER 55 -14.752 24.058 12.986 1.00 1.00 ATOM 60 CA GLY 56 -12.407 26.412 11.121 1.00 1.00 ATOM 61 CA ASP 57 -11.397 27.824 14.500 1.00 1.00 ATOM 62 CA ALA 58 -7.819 27.586 13.218 1.00 1.00 ATOM 63 CA THR 59 -6.557 28.184 9.670 1.00 1.00 ATOM 64 CA PHE 60 -4.011 25.380 9.472 1.00 1.00 ATOM 65 CA THR 61 -1.872 23.197 11.656 1.00 1.00 ATOM 66 CA ALA 62 1.462 21.549 12.175 1.00 1.00 ATOM 67 CA VAL 63 1.843 19.025 14.941 1.00 1.00 ATOM 68 CA ASN 64 3.768 16.288 13.180 1.00 1.00 ATOM 69 CA TRP 65 0.380 15.241 11.795 1.00 1.00 ATOM 70 CA THR 66 0.373 11.947 9.914 1.00 1.00 ATOM 71 CA PRO 67 -1.262 11.806 6.499 1.00 1.00 ATOM 72 CA HIS 69 -3.858 8.992 6.408 1.00 1.00 ATOM 73 CA GLY 77 -6.615 8.614 3.822 1.00 1.00 ATOM 74 CA GLY 78 -8.956 8.139 6.724 1.00 1.00 ATOM 75 CA ASP 79 -8.207 11.761 7.772 1.00 1.00 ATOM 76 CA LYS 80 -8.280 12.883 4.112 1.00 1.00 ATOM 77 CA LYS 81 -12.047 12.592 4.378 1.00 1.00 ATOM 78 CA PHE 82 -12.078 15.343 7.007 1.00 1.00 ATOM 79 CA TYR 83 -9.219 17.768 6.226 1.00 1.00 ATOM 80 CA ARG 84 -6.636 18.599 3.539 1.00 1.00 ATOM 81 CA GLU 85 -2.931 17.977 3.535 1.00 1.00 ATOM 82 CA GLY 86 0.172 19.423 1.866 1.00 1.00 ATOM 83 CA VAL 87 2.502 17.271 -0.382 1.00 1.00 ATOM 84 CA PHE 88 4.375 15.784 2.657 1.00 1.00 ATOM 85 CA VAL 89 7.420 16.908 4.725 1.00 1.00 ATOM 86 CA ASN 90 8.908 14.293 7.099 1.00 1.00 ATOM 87 CA GLY 91 8.947 10.468 7.013 1.00 1.00 ATOM 88 CA ALA 92 8.222 9.005 10.412 1.00 1.00 ATOM 89 CA ALA 93 7.010 5.829 12.118 1.00 1.00 ATOM 90 CA GLN 94 6.073 4.313 15.500 1.00 1.00 ATOM 91 CA GLY 95 8.490 2.887 18.102 1.00 1.00 ATOM 92 CA TYR 96 7.943 0.858 21.307 1.00 1.00 ATOM 93 CA LEU 97 9.437 2.264 24.473 1.00 1.00 ATOM 94 CA ILE 98 9.757 0.244 27.682 1.00 1.00 ATOM 95 CA ASP 99 11.788 0.567 30.857 1.00 1.00 ATOM 96 CA LYS 100 15.562 0.282 30.731 1.00 1.00 ATOM 97 CA LYS 101 15.840 -3.172 32.261 1.00 1.00 ATOM 98 CA THR 102 12.535 -4.522 30.947 1.00 1.00 ATOM 99 CA ALA 103 12.940 -8.103 29.907 1.00 1.00 ATOM 100 CA LYS 107 9.690 -9.389 28.482 1.00 1.00 ATOM 101 CA ILE 108 9.239 -7.135 25.469 1.00 1.00 ATOM 102 CA THR 109 11.410 -7.446 22.360 1.00 1.00 ATOM 103 CA ASN 110 8.856 -6.344 19.948 1.00 1.00 ATOM 104 CA ILE 111 5.529 -4.943 19.248 1.00 1.00 ATOM 105 CA ALA 112 4.125 -8.103 20.932 1.00 1.00 ATOM 106 CA GLN 113 2.473 -6.302 23.716 1.00 1.00 ATOM 107 CA LEU 114 0.007 -8.114 21.342 1.00 1.00 ATOM 108 CA LYS 130 -0.750 -10.402 24.178 1.00 1.00 ATOM 109 CA ALA 131 -2.048 -8.923 27.313 1.00 1.00 ATOM 110 CA ASP 132 0.260 -6.002 27.967 1.00 1.00 ATOM 111 CA LEU 133 -0.751 -2.550 29.196 1.00 1.00 ATOM 112 CA THR 134 0.241 0.047 26.584 1.00 1.00 ATOM 113 CA GLY 135 0.130 3.824 27.200 1.00 1.00 ATOM 114 CA CYS 136 -0.555 6.178 24.317 1.00 1.00 ATOM 115 CA ASN 137 -1.619 9.783 23.670 1.00 1.00 ATOM 116 CA PRO 138 -5.284 10.423 22.862 1.00 1.00 ATOM 117 CA GLY 139 -6.239 11.379 19.328 1.00 1.00 ATOM 118 CA TRP 140 -3.104 10.048 17.687 1.00 1.00 ATOM 119 CA GLY 141 -2.384 7.276 15.226 1.00 1.00 ATOM 120 CA CYS 142 -0.711 5.437 18.087 1.00 1.00 ATOM 121 CA GLU 143 -4.252 4.522 19.253 1.00 1.00 ATOM 122 CA GLY 144 -5.282 3.553 15.708 1.00 1.00 ATOM 123 CA ALA 145 -2.249 1.323 15.355 1.00 1.00 ATOM 124 CA ILE 146 -2.541 -0.295 18.812 1.00 1.00 ATOM 125 CA ALA 151 -6.250 -1.046 18.200 1.00 1.00 ATOM 126 CA ALA 152 -5.733 -2.553 14.780 1.00 1.00 ATOM 127 CA TYR 153 -2.575 -4.490 15.429 1.00 1.00 ATOM 128 CA GLU 154 -2.220 -5.459 19.094 1.00 1.00 ATOM 129 CA LEU 155 -4.232 -7.564 21.522 1.00 1.00 ATOM 130 CA THR 156 -3.576 -5.377 24.585 1.00 1.00 ATOM 131 CA ASN 157 -4.842 -6.313 28.030 1.00 1.00 ATOM 132 CA THR 158 -5.265 -2.571 28.628 1.00 1.00 ATOM 133 CA VAL 159 -4.605 0.637 26.714 1.00 1.00 ATOM 134 CA THR 160 -4.179 3.970 28.503 1.00 1.00 ATOM 135 CA HIS 161 -4.765 7.213 26.633 1.00 1.00 ATOM 136 CA ASN 162 -3.489 10.542 27.905 1.00 1.00 ATOM 137 CA GLN 163 -3.889 14.113 26.576 1.00 1.00 ATOM 138 CA GLY 164 -0.101 14.347 26.151 1.00 1.00 ATOM 139 CA ASN 165 2.867 11.915 25.882 1.00 1.00 ATOM 140 CA TYR 166 4.602 13.078 29.100 1.00 1.00 ATOM 141 CA ALA 167 1.628 11.569 30.956 1.00 1.00 ATOM 142 CA ALA 168 2.328 8.290 29.139 1.00 1.00 ATOM 143 CA MET 169 6.107 8.303 29.843 1.00 1.00 ATOM 144 CA MET 170 5.261 8.815 33.514 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:32:19 2002 Date: Wed, 14 Aug 2002 02:32:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:04:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_173631_22858 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS189_1 Current information on models submitted in prediction T0159TS189 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_1 PIN_173631_22858 5035-2079-5263 08/14/02 02:04:15 casp5@bialko.llnl.gov T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_1 PIN_173631_22858 5035-2079-5263 08/14/02 02:04:15 casp5@bialko.llnl.gov T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 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 TS PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1II5_A # Loading PARENT structure: 1ii5 (chain: A) # Number of residues in PARENT structure: 221 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Q 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue S 28 # IMPORTANT NOTE! Not complete main chain atoms for residue R 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue K 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue S 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue N 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 83 # IMPORTANT NOTE! Not complete main chain atoms for residue R 84 # IMPORTANT NOTE! Not complete main chain atoms for residue E 85 # IMPORTANT NOTE! Not complete main chain atoms for residue G 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue F 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue N 90 # IMPORTANT NOTE! Not complete main chain atoms for residue G 91 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 94 # IMPORTANT NOTE! Not complete main chain atoms for residue G 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 106 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue T 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue T 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue H 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue T 156 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1II5_A ATOM 30 CA PHE 22 81.053 -8.592 0.908 1.00 1.00 ATOM 31 CA GLN 23 82.233 -5.203 -0.397 1.00 1.00 ATOM 32 CA THR 24 79.131 -3.498 1.028 1.00 1.00 ATOM 33 CA LEU 25 79.634 -5.250 4.380 1.00 1.00 ATOM 34 CA LEU 26 83.228 -3.938 4.519 1.00 1.00 ATOM 35 CA VAL 27 82.215 -0.403 3.603 1.00 1.00 ATOM 36 CA SER 28 79.234 -0.322 5.966 1.00 1.00 ATOM 37 CA ARG 29 81.374 -1.495 8.887 1.00 1.00 ATOM 38 CA ALA 30 83.801 1.359 8.131 1.00 1.00 ATOM 39 CA LEU 31 81.032 3.955 7.780 1.00 1.00 ATOM 40 CA GLU 32 79.218 2.779 10.938 1.00 1.00 ATOM 41 CA LYS 33 82.401 2.938 13.018 1.00 1.00 ATOM 42 CA LEU 34 82.652 6.610 12.059 1.00 1.00 ATOM 43 CA GLY 35 78.889 7.290 12.183 1.00 1.00 ATOM 44 CA TYR 36 79.087 8.394 8.524 1.00 1.00 ATOM 45 CA THR 37 76.113 8.734 6.155 1.00 1.00 ATOM 46 CA VAL 38 76.287 7.230 2.661 1.00 1.00 ATOM 47 CA ASN 39 74.598 7.791 -0.699 1.00 1.00 ATOM 48 CA LYS 40 75.131 4.837 -3.064 1.00 1.00 ATOM 49 CA PRO 41 75.390 5.205 -6.817 1.00 1.00 ATOM 50 CA SER 42 75.810 2.207 -9.114 1.00 1.00 ATOM 51 CA GLU 43 78.646 2.666 -11.618 1.00 1.00 ATOM 52 CA VAL 44 78.633 1.316 -15.171 1.00 1.00 ATOM 53 CA ASP 45 82.251 0.141 -14.957 1.00 1.00 ATOM 54 CA TYR 46 85.394 0.396 -12.829 1.00 1.00 ATOM 55 CA ASN 47 86.919 2.904 -15.279 1.00 1.00 ATOM 56 CA VAL 48 83.840 5.140 -15.181 1.00 1.00 ATOM 57 CA GLY 49 83.832 4.914 -11.395 1.00 1.00 ATOM 58 CA TYR 50 87.511 5.792 -11.060 1.00 1.00 ATOM 59 CA THR 51 87.037 8.871 -13.270 1.00 1.00 ATOM 60 CA SER 52 84.071 9.927 -11.158 1.00 1.00 ATOM 61 CA LEU 53 86.276 9.764 -8.035 1.00 1.00 ATOM 62 CA ALA 54 89.091 11.722 -9.750 1.00 1.00 ATOM 63 CA SER 55 86.587 14.318 -10.986 1.00 1.00 ATOM 64 CA GLY 56 85.078 14.682 -7.510 1.00 1.00 ATOM 65 CA ASP 57 81.658 13.235 -8.431 1.00 1.00 ATOM 66 CA ALA 58 82.214 10.397 -5.959 1.00 1.00 ATOM 67 CA THR 59 84.031 10.364 -2.617 1.00 1.00 ATOM 68 CA PHE 60 84.887 6.667 -2.931 1.00 1.00 ATOM 69 CA THR 61 84.449 3.727 -5.307 1.00 1.00 ATOM 70 CA ALA 62 83.801 0.392 -3.569 1.00 1.00 ATOM 71 CA VAL 63 83.624 -3.170 -4.844 1.00 1.00 ATOM 72 CA ASN 64 85.968 -6.060 -5.846 1.00 1.00 ATOM 73 CA LEU 68 88.323 -3.610 -7.581 1.00 1.00 ATOM 74 CA HIS 69 91.660 -5.189 -8.537 1.00 1.00 ATOM 75 CA ASP 70 94.643 -2.996 -7.614 1.00 1.00 ATOM 76 CA ASN 71 96.657 -2.874 -10.844 1.00 1.00 ATOM 77 CA MET 72 99.624 -0.729 -12.047 1.00 1.00 ATOM 78 CA TYR 73 97.502 0.807 -14.827 1.00 1.00 ATOM 79 CA GLU 74 94.738 1.814 -12.401 1.00 1.00 ATOM 80 CA ALA 75 97.141 3.070 -9.735 1.00 1.00 ATOM 81 CA ALA 76 98.657 5.281 -12.460 1.00 1.00 ATOM 82 CA GLY 77 95.378 7.143 -13.094 1.00 1.00 ATOM 83 CA GLY 78 95.786 10.808 -12.119 1.00 1.00 ATOM 84 CA ASP 79 93.866 12.069 -9.117 1.00 1.00 ATOM 85 CA TYR 83 93.172 8.759 -7.382 1.00 1.00 ATOM 86 CA ARG 84 94.735 6.456 -4.788 1.00 1.00 ATOM 87 CA GLU 85 93.812 2.939 -3.652 1.00 1.00 ATOM 88 CA GLY 86 93.147 2.028 -0.026 1.00 1.00 ATOM 89 CA VAL 87 95.081 -0.880 1.494 1.00 1.00 ATOM 90 CA PHE 88 93.717 -4.105 -0.044 1.00 1.00 ATOM 91 CA VAL 89 91.041 -6.007 1.926 1.00 1.00 ATOM 92 CA ASN 90 90.926 -9.257 -0.055 1.00 1.00 ATOM 93 CA GLY 91 93.305 -11.410 -2.070 1.00 1.00 ATOM 94 CA ALA 92 91.516 -12.826 -5.100 1.00 1.00 ATOM 95 CA ALA 93 92.424 -14.934 -8.089 1.00 1.00 ATOM 96 CA GLN 94 91.377 -14.736 -11.713 1.00 1.00 ATOM 97 CA GLY 95 90.125 -18.133 -12.867 1.00 1.00 ATOM 98 CA TYR 96 88.328 -20.025 -15.623 1.00 1.00 ATOM 99 CA LEU 97 84.847 -21.522 -15.939 1.00 1.00 ATOM 100 CA ILE 98 84.585 -24.407 -18.432 1.00 1.00 ATOM 101 CA ASP 99 82.241 -27.309 -19.289 1.00 1.00 ATOM 102 CA LYS 100 82.838 -30.397 -17.146 1.00 1.00 ATOM 103 CA LYS 101 83.921 -32.349 -20.240 1.00 1.00 ATOM 104 CA THR 102 86.711 -29.871 -21.047 1.00 1.00 ATOM 105 CA ALA 103 88.722 -30.351 -17.821 1.00 1.00 ATOM 106 CA TYR 106 91.526 -32.295 -19.578 1.00 1.00 ATOM 107 CA LYS 107 92.067 -29.343 -21.950 1.00 1.00 ATOM 108 CA ILE 108 92.668 -26.640 -19.317 1.00 1.00 ATOM 109 CA THR 109 95.606 -27.558 -17.079 1.00 1.00 ATOM 110 CA ASN 110 97.727 -24.398 -17.303 1.00 1.00 ATOM 111 CA ILE 111 97.791 -20.833 -18.643 1.00 1.00 ATOM 112 CA ALA 112 99.726 -22.132 -21.644 1.00 1.00 ATOM 113 CA GLN 113 96.552 -23.983 -22.658 1.00 1.00 ATOM 114 CA LEU 114 94.758 -20.644 -23.094 1.00 1.00 ATOM 115 CA LYS 115 96.638 -19.842 -26.320 1.00 1.00 ATOM 116 CA ASP 116 94.197 -19.749 -29.259 1.00 1.00 ATOM 117 CA PRO 117 91.259 -21.012 -27.199 1.00 1.00 ATOM 118 CA LYS 118 88.053 -18.980 -27.556 1.00 1.00 ATOM 119 CA ILE 119 87.790 -17.204 -24.209 1.00 1.00 ATOM 120 CA ALA 120 84.836 -15.047 -23.091 1.00 1.00 ATOM 121 CA LYS 121 85.577 -12.077 -20.794 1.00 1.00 ATOM 122 CA LEU 122 83.521 -9.245 -19.295 1.00 1.00 ATOM 123 CA PHE 123 84.407 -5.778 -20.595 1.00 1.00 ATOM 124 CA ASP 124 86.525 -3.479 -18.357 1.00 1.00 ATOM 125 CA THR 125 87.775 -6.230 -16.063 1.00 1.00 ATOM 126 CA ALA 145 91.370 -7.295 -15.561 1.00 1.00 ATOM 127 CA ILE 146 90.439 -10.580 -17.281 1.00 1.00 ATOM 128 CA ASN 147 90.369 -8.774 -20.641 1.00 1.00 ATOM 129 CA HIS 148 94.070 -7.939 -20.293 1.00 1.00 ATOM 130 CA GLN 149 95.069 -11.365 -18.951 1.00 1.00 ATOM 131 CA LEU 150 93.219 -13.146 -21.786 1.00 1.00 ATOM 132 CA ALA 151 95.022 -10.950 -24.315 1.00 1.00 ATOM 133 CA ALA 152 98.364 -11.508 -22.547 1.00 1.00 ATOM 134 CA TYR 153 97.934 -15.295 -22.711 1.00 1.00 ATOM 135 CA GLU 154 97.052 -15.060 -26.415 1.00 1.00 ATOM 136 CA LEU 155 93.502 -16.377 -26.193 1.00 1.00 ATOM 137 CA THR 156 90.807 -15.624 -28.797 1.00 1.00 ATOM 138 CA HIS 161 89.133 -12.969 -26.667 1.00 1.00 ATOM 139 CA ASN 162 85.385 -12.406 -26.967 1.00 1.00 ATOM 140 CA GLN 163 84.263 -9.404 -24.889 1.00 1.00 ATOM 141 CA GLY 164 80.775 -9.365 -23.373 1.00 1.00 ATOM 142 CA ASN 165 78.714 -6.834 -21.384 1.00 1.00 ATOM 143 CA TYR 166 78.335 -8.865 -18.196 1.00 1.00 ATOM 144 CA MET 169 79.116 -12.214 -16.595 1.00 1.00 ATOM 145 CA MET 170 75.679 -13.650 -17.448 1.00 1.00 ATOM 146 CA ALA 171 76.318 -12.813 -21.109 1.00 1.00 ATOM 147 CA ASP 172 79.779 -14.418 -21.008 1.00 1.00 ATOM 148 CA THR 173 78.356 -17.570 -19.421 1.00 1.00 ATOM 149 CA ILE 174 75.413 -17.619 -21.859 1.00 1.00 ATOM 150 CA SER 175 78.041 -17.667 -24.626 1.00 1.00 ATOM 151 CA ARG 176 79.610 -20.681 -22.902 1.00 1.00 ATOM 152 CA TYR 177 76.221 -22.413 -22.604 1.00 1.00 ATOM 153 CA LYS 178 75.842 -21.892 -26.349 1.00 1.00 ATOM 154 CA GLU 179 79.223 -22.699 -27.934 1.00 1.00 ATOM 155 CA GLY 180 80.876 -19.497 -29.162 1.00 1.00 ATOM 156 CA LYS 181 83.479 -19.884 -26.414 1.00 1.00 ATOM 157 CA PRO 182 85.350 -22.729 -24.730 1.00 1.00 ATOM 158 CA VAL 183 85.835 -20.914 -21.400 1.00 1.00 ATOM 159 CA PHE 184 84.998 -17.800 -19.375 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:32:29 2002 Date: Wed, 14 Aug 2002 02:32:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:04:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_175064_22859 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS189_4 Current information on models submitted in prediction T0159TS189 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_4 PIN_175064_22859 5035-2079-5263 08/14/02 02:04:32 casp5@bialko.llnl.gov T0159TS189_1 PIN_173631_22858 5035-2079-5263 08/14/02 02:04:15 casp5@bialko.llnl.gov T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_1 PIN_173631_22858 5035-2079-5263 08/14/02 02:04:15 casp5@bialko.llnl.gov T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 casp5@bialko.llnl.gov T0159TS189_4 PIN_175064_22859 5035-2079-5263 08/14/02 02:04:32 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1CCW_A # Loading PARENT structure: 1ccw (chain: A) # Number of residues in PARENT structure: 137 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 G 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue T 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue N 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue S 28 # IMPORTANT NOTE! Not complete main chain atoms for residue R 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue E 32 # IMPORTANT NOTE! Not complete main chain atoms for residue K 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue K 40 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue S 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue N 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue F 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue W 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue P 67 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue G 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue K 80 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 105 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue K 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue D 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue G 135 # IMPORTANT NOTE! Not complete main chain atoms for residue C 136 # IMPORTANT NOTE! Not complete main chain atoms for residue N 137 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue W 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue H 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue T 156 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue M 169 # IMPORTANT NOTE! Not complete main chain atoms for residue M 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 126 # Total number of atoms in model: 126 # Number of atoms with 1.0 occupancy: 126 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 126 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1CCW_A ATOM 2 CA LYS 6 16.797 -13.430 46.676 1.00 1.00 ATOM 3 CA GLY 7 14.996 -15.846 49.072 1.00 1.00 ATOM 4 CA ILE 8 16.760 -16.708 52.385 1.00 1.00 ATOM 5 CA THR 9 15.619 -18.367 55.646 1.00 1.00 ATOM 6 CA VAL 10 15.686 -16.926 59.148 1.00 1.00 ATOM 7 CA ASN 11 14.666 -18.316 62.527 1.00 1.00 ATOM 8 CA PRO 12 12.790 -15.693 64.617 1.00 1.00 ATOM 9 CA VAL 13 11.669 -15.955 68.224 1.00 1.00 ATOM 10 CA GLN 14 11.571 -14.393 71.679 1.00 1.00 ATOM 11 CA SER 15 13.912 -16.017 74.159 1.00 1.00 ATOM 12 CA THR 16 13.657 -17.341 77.703 1.00 1.00 ATOM 13 CA ILE 17 10.673 -16.649 79.961 1.00 1.00 ATOM 14 CA THR 18 9.672 -13.663 77.819 1.00 1.00 ATOM 15 CA GLU 19 6.072 -13.555 76.589 1.00 1.00 ATOM 16 CA GLU 20 6.135 -10.287 74.620 1.00 1.00 ATOM 17 CA THR 21 4.477 -11.145 71.312 1.00 1.00 ATOM 18 CA PHE 22 3.481 -8.029 69.380 1.00 1.00 ATOM 19 CA GLN 23 6.920 -7.166 68.053 1.00 1.00 ATOM 20 CA THR 24 7.364 -10.803 67.046 1.00 1.00 ATOM 21 CA LEU 25 4.246 -10.518 64.861 1.00 1.00 ATOM 22 CA LEU 26 5.509 -7.248 63.290 1.00 1.00 ATOM 23 CA VAL 27 8.994 -8.641 62.666 1.00 1.00 ATOM 24 CA SER 28 7.541 -11.732 60.994 1.00 1.00 ATOM 25 CA ARG 29 5.334 -9.526 58.826 1.00 1.00 ATOM 26 CA ALA 30 8.130 -7.171 57.878 1.00 1.00 ATOM 27 CA LEU 31 10.829 -9.763 57.105 1.00 1.00 ATOM 28 CA GLU 32 8.270 -11.837 55.193 1.00 1.00 ATOM 29 CA LYS 33 7.314 -8.784 53.153 1.00 1.00 ATOM 30 CA LEU 34 10.977 -8.254 52.423 1.00 1.00 ATOM 31 CA GLY 35 11.183 -11.742 50.884 1.00 1.00 ATOM 32 CA TYR 36 12.532 -13.871 53.692 1.00 1.00 ATOM 33 CA THR 37 11.256 -17.289 54.680 1.00 1.00 ATOM 34 CA VAL 38 10.560 -16.592 58.333 1.00 1.00 ATOM 35 CA ASN 39 10.570 -19.622 60.632 1.00 1.00 ATOM 36 CA LYS 40 8.818 -18.120 63.624 1.00 1.00 ATOM 37 CA PRO 41 9.196 -20.194 66.778 1.00 1.00 ATOM 38 CA SER 42 7.389 -17.584 68.844 1.00 1.00 ATOM 39 CA GLU 43 7.696 -16.568 72.442 1.00 1.00 ATOM 40 CA VAL 44 8.983 -18.253 75.573 1.00 1.00 ATOM 41 CA ASP 45 11.564 -20.115 73.491 1.00 1.00 ATOM 42 CA TYR 46 14.738 -21.627 74.948 1.00 1.00 ATOM 43 CA ASN 47 18.005 -21.586 73.009 1.00 1.00 ATOM 44 CA VAL 48 17.529 -25.182 71.936 1.00 1.00 ATOM 45 CA GLY 49 14.406 -24.352 69.969 1.00 1.00 ATOM 46 CA TYR 50 16.188 -21.694 67.992 1.00 1.00 ATOM 49 CA THR 51 14.574 -24.746 63.895 1.00 1.00 ATOM 50 CA SER 52 17.772 -23.535 62.252 1.00 1.00 ATOM 51 CA LEU 53 18.888 -27.084 61.577 1.00 1.00 ATOM 52 CA ALA 54 15.554 -28.338 60.285 1.00 1.00 ATOM 53 CA SER 55 15.207 -25.428 57.890 1.00 1.00 ATOM 54 CA GLY 56 18.801 -24.730 56.919 1.00 1.00 ATOM 55 CA ASP 57 18.502 -21.176 58.172 1.00 1.00 ATOM 56 CA ALA 58 20.883 -18.401 57.093 1.00 1.00 ATOM 57 CA THR 59 20.358 -16.404 60.256 1.00 1.00 ATOM 58 CA PHE 60 18.830 -16.563 63.732 1.00 1.00 ATOM 59 CA THR 61 17.128 -13.428 64.992 1.00 1.00 ATOM 60 CA ALA 62 16.800 -13.436 68.778 1.00 1.00 ATOM 61 CA VAL 63 14.382 -10.942 70.238 1.00 1.00 ATOM 62 CA ASN 64 14.606 -10.155 73.932 1.00 1.00 ATOM 63 CA TRP 65 12.244 -7.556 75.379 1.00 1.00 ATOM 64 CA THR 66 11.599 -8.341 79.026 1.00 1.00 ATOM 65 CA PRO 67 15.034 -7.454 80.346 1.00 1.00 ATOM 66 CA HIS 69 16.657 -10.826 81.171 1.00 1.00 ATOM 67 CA ASP 70 18.498 -11.068 77.838 1.00 1.00 ATOM 68 CA ASN 71 21.896 -10.883 79.427 1.00 1.00 ATOM 69 CA MET 72 21.286 -14.191 81.143 1.00 1.00 ATOM 70 CA TYR 73 19.184 -15.734 78.463 1.00 1.00 ATOM 71 CA GLU 74 21.438 -15.004 75.505 1.00 1.00 ATOM 72 CA ALA 75 24.694 -16.259 76.964 1.00 1.00 ATOM 73 CA ALA 76 25.966 -19.452 75.394 1.00 1.00 ATOM 74 CA GLY 77 23.966 -19.524 72.208 1.00 1.00 ATOM 75 CA GLY 78 26.959 -19.145 69.876 1.00 1.00 ATOM 76 CA ASP 79 28.691 -22.108 71.489 1.00 1.00 ATOM 77 CA LYS 80 25.588 -24.281 71.234 1.00 1.00 ATOM 78 CA ALA 103 25.257 -23.362 67.571 1.00 1.00 ATOM 79 CA ASP 104 28.871 -24.331 66.862 1.00 1.00 ATOM 80 CA GLN 105 28.381 -27.610 68.693 1.00 1.00 ATOM 81 CA GLY 127 25.269 -28.233 66.628 1.00 1.00 ATOM 82 CA ASP 128 27.318 -27.642 63.501 1.00 1.00 ATOM 83 CA GLY 129 25.950 -24.193 62.615 1.00 1.00 ATOM 84 CA LYS 130 29.384 -22.653 62.559 1.00 1.00 ATOM 85 CA ALA 131 29.426 -19.115 61.252 1.00 1.00 ATOM 86 CA ASP 132 25.626 -18.772 61.222 1.00 1.00 ATOM 87 CA LEU 133 24.464 -15.136 61.567 1.00 1.00 ATOM 88 CA THR 134 23.251 -14.324 65.094 1.00 1.00 ATOM 93 CA GLY 135 15.250 -4.357 75.054 1.00 1.00 ATOM 94 CA CYS 136 18.054 -6.747 75.761 1.00 1.00 ATOM 95 CA ASN 137 19.341 -5.531 79.163 1.00 1.00 ATOM 96 CA PRO 138 17.708 -4.382 82.387 1.00 1.00 ATOM 97 CA GLY 139 17.194 -0.636 82.263 1.00 1.00 ATOM 98 CA TRP 140 18.626 2.306 80.366 1.00 1.00 ATOM 99 CA GLY 141 22.356 1.682 79.947 1.00 1.00 ATOM 100 CA CYS 142 25.290 3.094 77.990 1.00 1.00 ATOM 101 CA GLU 143 24.751 1.598 74.568 1.00 1.00 ATOM 102 CA GLY 144 28.386 1.045 73.526 1.00 1.00 ATOM 103 CA ALA 145 28.924 -1.060 76.657 1.00 1.00 ATOM 104 CA ILE 146 25.849 -3.136 75.899 1.00 1.00 ATOM 105 CA ASN 147 26.810 -3.677 72.283 1.00 1.00 ATOM 106 CA HIS 148 30.284 -4.926 73.211 1.00 1.00 ATOM 107 CA GLN 149 28.892 -7.236 75.900 1.00 1.00 ATOM 108 CA LEU 150 26.632 -9.043 73.414 1.00 1.00 ATOM 109 CA ALA 151 29.239 -9.108 70.645 1.00 1.00 ATOM 110 CA ALA 152 31.674 -10.641 73.155 1.00 1.00 ATOM 111 CA TYR 153 28.946 -13.256 73.777 1.00 1.00 ATOM 112 CA GLU 154 29.094 -14.210 70.098 1.00 1.00 ATOM 113 CA LEU 155 26.338 -12.066 68.497 1.00 1.00 ATOM 114 CA THR 156 27.095 -10.637 65.047 1.00 1.00 ATOM 115 CA VAL 159 24.728 -7.690 65.397 1.00 1.00 ATOM 116 CA THR 160 23.215 -6.125 68.503 1.00 1.00 ATOM 117 CA HIS 161 20.246 -3.724 68.402 1.00 1.00 ATOM 118 CA ASN 162 19.052 -1.012 70.800 1.00 1.00 ATOM 119 CA GLN 163 15.453 -0.314 71.931 1.00 1.00 ATOM 120 CA GLY 164 12.995 0.799 69.252 1.00 1.00 ATOM 121 CA ASN 165 15.027 -0.529 66.322 1.00 1.00 ATOM 123 CA TYR 166 12.520 -3.867 61.388 1.00 1.00 ATOM 124 CA ALA 167 13.804 -2.099 58.274 1.00 1.00 ATOM 125 CA ALA 168 17.266 -1.564 59.816 1.00 1.00 ATOM 126 CA MET 169 17.585 -5.257 60.482 1.00 1.00 ATOM 127 CA MET 170 16.325 -6.104 57.009 1.00 1.00 ATOM 128 CA ALA 171 18.988 -3.894 55.409 1.00 1.00 ATOM 129 CA ASP 172 21.728 -5.265 57.608 1.00 1.00 ATOM 130 CA THR 173 20.782 -8.839 56.861 1.00 1.00 ATOM 131 CA ILE 174 20.663 -8.242 53.109 1.00 1.00 ATOM 132 CA SER 175 24.108 -6.655 53.379 1.00 1.00 ATOM 133 CA ARG 176 25.461 -9.515 55.488 1.00 1.00 ATOM 134 CA TYR 177 23.973 -12.087 53.084 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Aug 14 02:37:08 2002 Date: Wed, 14 Aug 2002 02:37:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0159 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 14 02:09:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_226156_22871 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0159TS189_3 Current information on models submitted in prediction T0159TS189 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_3 PIN_226156_22871 5035-2079-5263 08/14/02 02:09:12 casp5@bialko.llnl.gov T0159TS189_4 PIN_175064_22859 5035-2079-5263 08/14/02 02:04:32 casp5@bialko.llnl.gov T0159TS189_1 PIN_173631_22858 5035-2079-5263 08/14/02 02:04:15 casp5@bialko.llnl.gov T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 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 T0159 MODEL_INDEX PIN CODE DATE E-mail T0159TS189_1 PIN_173631_22858 5035-2079-5263 08/14/02 02:04:15 casp5@bialko.llnl.gov T0159TS189_2 PIN_161923_22854 5035-2079-5263 08/14/02 02:03:06 casp5@bialko.llnl.gov T0159TS189_3 PIN_226156_22871 5035-2079-5263 08/14/02 02:09:12 casp5@bialko.llnl.gov T0159TS189_4 PIN_175064_22859 5035-2079-5263 08/14/02 02:04:32 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1SBP # Loading PARENT structure: 1sbp (chain: ) # Number of residues in PARENT structure: 309 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue G 7 # IMPORTANT NOTE! Not complete main chain atoms for residue I 8 # IMPORTANT NOTE! Not complete main chain atoms for residue T 9 # IMPORTANT NOTE! Not complete main chain atoms for residue V 10 # IMPORTANT NOTE! Not complete main chain atoms for residue N 11 # IMPORTANT NOTE! Not complete main chain atoms for residue P 12 # IMPORTANT NOTE! Not complete main chain atoms for residue V 13 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 14 # IMPORTANT NOTE! Not complete main chain atoms for residue S 15 # IMPORTANT NOTE! Not complete main chain atoms for residue T 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue E 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue F 22 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 23 # IMPORTANT NOTE! Not complete main chain atoms for residue T 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue L 26 # IMPORTANT NOTE! Not complete main chain atoms for residue V 27 # IMPORTANT NOTE! Not complete main chain atoms for residue S 28 # IMPORTANT NOTE! Not complete main chain atoms for residue G 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 36 # IMPORTANT NOTE! Not complete main chain atoms for residue T 37 # IMPORTANT NOTE! Not complete main chain atoms for residue V 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 41 # IMPORTANT NOTE! Not complete main chain atoms for residue S 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue D 45 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 46 # IMPORTANT NOTE! Not complete main chain atoms for residue N 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue G 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue S 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue S 55 # IMPORTANT NOTE! Not complete main chain atoms for residue G 56 # IMPORTANT NOTE! Not complete main chain atoms for residue D 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue W 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue P 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue D 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue M 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue A 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue G 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 94 # IMPORTANT NOTE! Not complete main chain atoms for residue G 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 96 # IMPORTANT NOTE! Not complete main chain atoms for residue L 97 # IMPORTANT NOTE! Not complete main chain atoms for residue I 98 # IMPORTANT NOTE! Not complete main chain atoms for residue D 99 # IMPORTANT NOTE! Not complete main chain atoms for residue K 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue T 102 # IMPORTANT NOTE! Not complete main chain atoms for residue A 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue K 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue T 109 # IMPORTANT NOTE! Not complete main chain atoms for residue N 110 # IMPORTANT NOTE! Not complete main chain atoms for residue I 111 # IMPORTANT NOTE! Not complete main chain atoms for residue A 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue D 116 # IMPORTANT NOTE! Not complete main chain atoms for residue P 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue I 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue K 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue F 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue T 125 # IMPORTANT NOTE! Not complete main chain atoms for residue N 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue D 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue K 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 138 # IMPORTANT NOTE! Not complete main chain atoms for residue G 139 # IMPORTANT NOTE! Not complete main chain atoms for residue W 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue C 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue G 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue I 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue H 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue L 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 153 # IMPORTANT NOTE! Not complete main chain atoms for residue E 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue T 156 # IMPORTANT NOTE! Not complete main chain atoms for residue N 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue V 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue H 161 # IMPORTANT NOTE! Not complete main chain atoms for residue N 162 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue N 165 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 166 # IMPORTANT NOTE! Not complete main chain atoms for residue A 167 # IMPORTANT NOTE! Not complete main chain atoms for residue A 168 # IMPORTANT NOTE! Not complete main chain atoms for residue D 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue S 175 # IMPORTANT NOTE! Not complete main chain atoms for residue R 176 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue E 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue K 181 # IMPORTANT NOTE! Not complete main chain atoms for residue P 182 # IMPORTANT NOTE! Not complete main chain atoms for residue V 183 # IMPORTANT NOTE! Not complete main chain atoms for residue F 184 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 185 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue W 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue P 190 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 191 # IMPORTANT NOTE! Not complete main chain atoms for residue W 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue E 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue P 199 # IMPORTANT NOTE! Not complete main chain atoms for residue G 200 # IMPORTANT NOTE! Not complete main chain atoms for residue K 201 # IMPORTANT NOTE! Not complete main chain atoms for residue D 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 L 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue V 208 # IMPORTANT NOTE! Not complete main chain atoms for residue P 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue S 211 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0159 # Total number of residues in target: 309 # Total number of residues in model: 172 # Total number of atoms in model: 172 # Number of atoms with 1.0 occupancy: 172 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 172 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0159 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1SBP ATOM 31 CA GLY 5 37.350 -23.164 50.804 1.00 1.00 ATOM 32 CA LYS 6 36.792 -25.036 54.081 1.00 1.00 ATOM 33 CA GLY 7 34.904 -28.206 53.389 1.00 1.00 ATOM 34 CA ILE 8 32.184 -27.050 55.804 1.00 1.00 ATOM 35 CA THR 9 28.489 -26.907 54.942 1.00 1.00 ATOM 36 CA VAL 10 26.866 -23.599 55.875 1.00 1.00 ATOM 37 CA ASN 11 23.094 -23.046 55.663 1.00 1.00 ATOM 38 CA PRO 12 21.752 -19.525 56.058 1.00 1.00 ATOM 39 CA VAL 13 18.106 -18.917 57.117 1.00 1.00 ATOM 40 CA GLN 14 16.520 -15.520 56.298 1.00 1.00 ATOM 41 CA SER 15 14.138 -13.229 58.163 1.00 1.00 ATOM 42 CA THR 16 12.662 -10.133 56.397 1.00 1.00 ATOM 43 CA ILE 17 10.525 -7.205 57.569 1.00 1.00 ATOM 44 CA THR 18 10.558 -3.432 58.177 1.00 1.00 ATOM 45 CA GLU 19 14.061 -2.533 59.391 1.00 1.00 ATOM 46 CA GLU 20 12.838 -0.963 62.682 1.00 1.00 ATOM 47 CA THR 21 10.652 -3.950 63.600 1.00 1.00 ATOM 48 CA PHE 22 13.510 -6.360 62.739 1.00 1.00 ATOM 49 CA GLN 23 16.047 -4.474 64.956 1.00 1.00 ATOM 50 CA THR 24 13.572 -4.602 67.866 1.00 1.00 ATOM 51 CA LEU 25 13.135 -8.350 67.428 1.00 1.00 ATOM 52 CA LEU 26 16.916 -8.854 67.710 1.00 1.00 ATOM 53 CA VAL 27 17.119 -6.716 70.832 1.00 1.00 ATOM 54 CA SER 28 14.318 -8.943 72.273 1.00 1.00 ATOM 55 CA GLY 35 15.778 -12.370 71.637 1.00 1.00 ATOM 56 CA TYR 36 16.010 -13.387 67.951 1.00 1.00 ATOM 57 CA THR 37 19.391 -15.071 67.654 1.00 1.00 ATOM 58 CA VAL 38 20.618 -13.481 64.490 1.00 1.00 ATOM 59 CA ASN 39 24.284 -14.108 63.685 1.00 1.00 ATOM 60 CA PRO 41 24.231 -11.096 61.326 1.00 1.00 ATOM 61 CA SER 42 21.895 -8.182 60.719 1.00 1.00 ATOM 62 CA GLU 43 21.593 -6.612 57.202 1.00 1.00 ATOM 63 CA VAL 44 19.370 -3.570 57.894 1.00 1.00 ATOM 64 CA ASP 45 18.221 -0.489 55.973 1.00 1.00 ATOM 65 CA TYR 46 20.178 2.227 57.753 1.00 1.00 ATOM 66 CA ASN 47 22.878 2.676 60.380 1.00 1.00 ATOM 67 CA VAL 48 20.537 3.832 63.191 1.00 1.00 ATOM 68 CA GLY 49 18.808 0.435 63.389 1.00 1.00 ATOM 69 CA TYR 50 22.156 -1.358 63.982 1.00 1.00 ATOM 70 CA THR 51 23.188 1.323 66.482 1.00 1.00 ATOM 71 CA SER 52 19.917 0.691 68.374 1.00 1.00 ATOM 72 CA LEU 53 20.977 -2.963 68.855 1.00 1.00 ATOM 74 CA ALA 54 23.020 0.523 72.456 1.00 1.00 ATOM 75 CA SER 55 21.189 -2.425 74.080 1.00 1.00 ATOM 76 CA GLY 56 24.509 -4.276 74.250 1.00 1.00 ATOM 77 CA ASP 57 24.101 -6.997 71.651 1.00 1.00 ATOM 78 CA ALA 58 26.670 -5.570 69.236 1.00 1.00 ATOM 79 CA THR 59 29.981 -3.797 69.857 1.00 1.00 ATOM 80 CA VAL 63 29.570 -0.025 69.956 1.00 1.00 ATOM 81 CA ASN 64 32.261 0.509 67.301 1.00 1.00 ATOM 82 CA TRP 65 30.748 -1.931 64.773 1.00 1.00 ATOM 83 CA THR 66 30.503 0.523 61.849 1.00 1.00 ATOM 84 CA PRO 67 34.280 0.622 61.326 1.00 1.00 ATOM 85 CA LEU 68 34.463 -3.195 61.072 1.00 1.00 ATOM 86 CA HIS 69 33.631 -3.387 57.301 1.00 1.00 ATOM 87 CA ASP 70 34.528 -0.953 54.505 1.00 1.00 ATOM 88 CA ASN 71 32.449 2.094 53.516 1.00 1.00 ATOM 89 CA MET 72 30.858 2.326 56.934 1.00 1.00 ATOM 90 CA TYR 73 29.643 -1.244 56.637 1.00 1.00 ATOM 91 CA GLU 74 27.571 -0.514 53.516 1.00 1.00 ATOM 92 CA ALA 75 28.554 -2.800 50.635 1.00 1.00 ATOM 93 CA ALA 76 26.030 -1.254 48.233 1.00 1.00 ATOM 94 CA GLY 77 23.864 1.862 47.979 1.00 1.00 ATOM 95 CA ALA 92 20.390 2.716 46.652 1.00 1.00 ATOM 96 CA ALA 93 18.135 5.728 46.284 1.00 1.00 ATOM 97 CA GLN 94 14.440 6.666 46.383 1.00 1.00 ATOM 98 CA GLY 95 12.409 6.987 43.149 1.00 1.00 ATOM 99 CA TYR 96 8.764 6.987 42.132 1.00 1.00 ATOM 100 CA LEU 97 6.876 4.212 40.437 1.00 1.00 ATOM 101 CA ILE 98 3.703 5.165 38.516 1.00 1.00 ATOM 102 CA ASP 99 1.199 3.328 36.383 1.00 1.00 ATOM 103 CA LYS 100 1.782 3.032 32.641 1.00 1.00 ATOM 104 CA LYS 101 1.158 6.286 30.903 1.00 1.00 ATOM 105 CA THR 102 1.656 8.424 34.067 1.00 1.00 ATOM 106 CA ALA 103 -1.986 9.516 34.152 1.00 1.00 ATOM 107 CA ASP 104 -1.521 11.920 37.076 1.00 1.00 ATOM 108 CA LYS 107 1.484 13.545 35.310 1.00 1.00 ATOM 109 CA ILE 108 3.931 13.051 38.149 1.00 1.00 ATOM 110 CA THR 109 7.312 14.646 37.400 1.00 1.00 ATOM 111 CA ASN 110 8.898 15.570 40.776 1.00 1.00 ATOM 112 CA ILE 111 8.344 15.619 44.561 1.00 1.00 ATOM 113 CA ALA 112 6.048 18.646 44.321 1.00 1.00 ATOM 114 CA GLN 113 3.532 16.666 42.273 1.00 1.00 ATOM 115 CA LEU 114 2.932 14.236 45.183 1.00 1.00 ATOM 116 CA LYS 115 1.117 16.913 47.273 1.00 1.00 ATOM 117 CA ASP 116 -1.448 17.767 44.575 1.00 1.00 ATOM 118 CA PRO 117 -5.093 17.071 45.465 1.00 1.00 ATOM 119 CA LYS 118 -6.390 13.728 44.293 1.00 1.00 ATOM 120 CA ILE 119 -3.005 11.994 44.095 1.00 1.00 ATOM 121 CA ALA 120 -2.944 8.696 46.030 1.00 1.00 ATOM 122 CA LYS 121 0.526 8.014 47.443 1.00 1.00 ATOM 123 CA LEU 122 1.847 4.706 48.756 1.00 1.00 ATOM 124 CA PHE 123 4.759 4.800 51.242 1.00 1.00 ATOM 125 CA ASP 124 5.566 2.558 54.279 1.00 1.00 ATOM 126 CA THR 125 5.371 3.531 57.951 1.00 1.00 ATOM 127 CA ASN 126 8.397 5.353 59.391 1.00 1.00 ATOM 128 CA GLY 127 7.687 3.684 62.767 1.00 1.00 ATOM 129 CA ASP 128 8.690 0.217 61.496 1.00 1.00 ATOM 130 CA GLY 129 10.260 0.681 58.078 1.00 1.00 ATOM 131 CA LYS 130 13.820 1.837 57.146 1.00 1.00 ATOM 132 CA ALA 131 12.821 2.676 53.502 1.00 1.00 ATOM 133 CA PRO 138 9.893 4.706 54.999 1.00 1.00 ATOM 134 CA GLY 139 12.454 6.854 56.877 1.00 1.00 ATOM 135 CA TRP 140 14.685 7.308 53.812 1.00 1.00 ATOM 136 CA GLY 141 11.537 8.365 51.892 1.00 1.00 ATOM 137 CA CYS 142 10.562 10.898 54.561 1.00 1.00 ATOM 138 CA GLU 143 14.069 12.449 54.589 1.00 1.00 ATOM 139 CA GLY 144 14.175 12.597 50.790 1.00 1.00 ATOM 140 CA ALA 145 10.921 14.587 50.677 1.00 1.00 ATOM 141 CA ILE 146 12.014 16.868 53.615 1.00 1.00 ATOM 142 CA ASN 147 15.447 17.520 51.877 1.00 1.00 ATOM 143 CA HIS 148 13.641 18.384 48.615 1.00 1.00 ATOM 144 CA GLN 149 11.329 20.789 50.493 1.00 1.00 ATOM 145 CA LEU 150 14.297 22.478 52.216 1.00 1.00 ATOM 146 CA ALA 151 16.100 22.858 48.897 1.00 1.00 ATOM 147 CA ALA 152 12.997 24.384 47.259 1.00 1.00 ATOM 148 CA TYR 153 12.079 26.601 50.225 1.00 1.00 ATOM 149 CA GLU 154 15.292 28.487 51.101 1.00 1.00 ATOM 150 CA LEU 155 16.084 26.122 53.968 1.00 1.00 ATOM 151 CA THR 156 12.911 27.075 55.776 1.00 1.00 ATOM 164 CA ASN 157 -2.329 13.792 53.827 1.00 1.00 ATOM 165 CA THR 158 -2.251 12.064 50.423 1.00 1.00 ATOM 166 CA VAL 159 -0.950 8.681 51.750 1.00 1.00 ATOM 167 CA THR 160 -3.495 5.975 51.171 1.00 1.00 ATOM 168 CA HIS 161 -1.860 2.928 52.824 1.00 1.00 ATOM 169 CA ASN 162 1.109 2.879 55.211 1.00 1.00 ATOM 170 CA GLN 163 2.512 -0.731 55.197 1.00 1.00 ATOM 171 CA GLY 164 4.910 -1.847 57.894 1.00 1.00 ATOM 172 CA ASN 165 7.679 -3.032 55.493 1.00 1.00 ATOM 173 CA TYR 166 8.686 -1.758 51.990 1.00 1.00 ATOM 174 CA ALA 167 7.842 -5.071 50.310 1.00 1.00 ATOM 175 CA ALA 168 4.302 -4.676 51.779 1.00 1.00 ATOM 176 CA ASP 172 4.204 -1.160 50.112 1.00 1.00 ATOM 177 CA THR 173 5.342 -2.558 46.793 1.00 1.00 ATOM 178 CA ILE 174 2.663 -5.358 46.976 1.00 1.00 ATOM 179 CA SER 175 -0.077 -2.859 47.838 1.00 1.00 ATOM 180 CA ARG 176 0.730 -0.830 44.674 1.00 1.00 ATOM 181 CA TYR 177 1.668 -3.590 42.203 1.00 1.00 ATOM 182 CA LYS 178 -0.338 -6.577 43.347 1.00 1.00 ATOM 183 CA GLU 179 -3.430 -5.007 44.943 1.00 1.00 ATOM 184 CA GLY 180 -3.548 -2.104 42.471 1.00 1.00 ATOM 185 CA LYS 181 -3.894 0.642 45.112 1.00 1.00 ATOM 186 CA PRO 182 -2.382 4.133 44.646 1.00 1.00 ATOM 187 CA VAL 183 -1.203 6.424 41.878 1.00 1.00 ATOM 188 CA PHE 184 2.475 6.587 42.965 1.00 1.00 ATOM 189 CA TYR 185 4.706 4.420 45.084 1.00 1.00 ATOM 190 CA TYR 186 7.654 6.182 46.779 1.00 1.00 ATOM 191 CA THR 187 9.999 3.195 46.284 1.00 1.00 ATOM 192 CA TRP 188 13.490 1.946 46.991 1.00 1.00 ATOM 193 CA THR 189 15.199 2.069 43.601 1.00 1.00 ATOM 194 CA PRO 190 15.729 -1.758 43.784 1.00 1.00 ATOM 195 CA TYR 191 11.957 -2.222 44.222 1.00 1.00 ATOM 196 CA TRP 192 11.100 0.104 41.270 1.00 1.00 ATOM 197 CA VAL 193 13.506 -1.783 38.996 1.00 1.00 ATOM 198 CA SER 194 12.287 -5.210 40.155 1.00 1.00 ATOM 199 CA ASN 195 8.682 -4.103 39.505 1.00 1.00 ATOM 200 CA GLU 196 9.351 -2.839 35.974 1.00 1.00 ATOM 201 CA LEU 197 11.529 -5.822 35.070 1.00 1.00 ATOM 202 CA LYS 198 9.742 -8.711 36.765 1.00 1.00 ATOM 203 CA PRO 199 6.749 -8.093 39.039 1.00 1.00 ATOM 204 CA GLY 200 4.894 -6.414 36.143 1.00 1.00 ATOM 205 CA LYS 201 6.562 -5.422 32.838 1.00 1.00 ATOM 206 CA ASP 202 4.616 -2.928 30.677 1.00 1.00 ATOM 207 CA VAL 203 2.292 -1.926 33.545 1.00 1.00 ATOM 208 CA VAL 204 4.600 0.479 35.381 1.00 1.00 ATOM 209 CA TRP 205 6.998 3.313 34.731 1.00 1.00 ATOM 210 CA LEU 206 9.706 4.903 36.864 1.00 1.00 ATOM 211 CA GLN 207 9.808 8.617 37.457 1.00 1.00 ATOM 212 CA VAL 208 13.221 9.965 38.516 1.00 1.00 ATOM 213 CA PRO 209 12.915 13.056 40.691 1.00 1.00 ATOM 214 CA PHE 210 15.248 16.039 40.296 1.00 1.00 ATOM 215 CA SER 211 17.058 15.026 43.474 1.00 1.00 TER END ################################ # # # END # # # ################################