From mailer@bialko.llnl.gov Sun Aug 11 20:08:09 2002 Date: Sun, 11 Aug 2002 20:08:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 11 19:40:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_528148_20616 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0174SS389_1 Current information on models submitted in prediction T0174SS389 MODEL_INDEX PIN CODE DATE E-mail T0174SS389_1 PIN_528148_20616 1549-8716-6404 08/11/02 19:40:05 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0174 MODEL_INDEX PIN CODE DATE E-mail T0174SS389_1 PIN_528148_20616 1549-8716-6404 08/11/02 19:40:05 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0174 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: 417 # Number of residues with nonzero confidence: 417 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0174 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0174.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0174.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0174.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 T0174.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0174 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 T0174.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 1 METHOD METHOD ============================================ METHOD Comments from T0174.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0174 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 T0174.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 1 METHOD METHOD ============================================ METHOD Comments from T0174.t2k.str.rdb METHOD ============================================ METHOD TARGET T0174 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 T0174.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 1 METHOD METHOD ============================================ MODEL 1 M C 0.95 Q C 0.73 V C 0.61 E C 0.65 A C 0.67 N C 0.73 S C 0.69 E C 0.56 R C 0.50 R E 0.46 V E 0.61 K E 0.70 I E 0.76 L E 0.67 G E 0.60 I E 0.49 D C 0.60 R C 0.68 S C 0.75 E C 0.80 N C 0.85 S C 0.82 P C 0.67 V E 0.57 L E 0.67 T E 0.68 Y E 0.66 M E 0.56 E C 0.45 T C 0.63 E C 0.75 D C 0.81 D C 0.88 P C 0.74 N C 0.73 F C 0.65 R C 0.63 N C 0.60 S C 0.54 K C 0.45 L H 0.46 A C 0.48 A C 0.54 A C 0.70 P C 0.67 H C 0.56 T E 0.45 V E 0.57 H E 0.60 M E 0.53 M C 0.41 D C 0.54 S C 0.61 G C 0.63 F C 0.41 L E 0.51 A E 0.51 I E 0.45 N C 0.39 R H 0.48 Q H 0.43 C E 0.36 L E 0.45 V E 0.41 K C 0.50 G C 0.62 K C 0.47 A E 0.48 I E 0.54 L E 0.54 A C 0.42 R C 0.62 E C 0.80 P C 0.83 K C 0.79 S C 0.78 S C 0.76 N C 0.72 E C 0.55 H C 0.47 M H 0.49 I H 0.56 D H 0.53 D C 0.49 L C 0.67 P C 0.63 K C 0.54 H C 0.54 A C 0.55 H C 0.55 D C 0.53 Q H 0.61 H H 0.63 T H 0.76 L H 0.86 S H 0.88 I H 0.90 L H 0.90 R H 0.91 D H 0.88 F H 0.87 I H 0.84 D H 0.75 Q H 0.68 L H 0.52 K C 0.49 L C 0.49 H C 0.55 N C 0.58 V E 0.46 Y E 0.63 E E 0.70 I E 0.64 N E 0.55 F E 0.47 Y C 0.58 D C 0.71 P C 0.71 L C 0.70 D C 0.76 S C 0.73 S C 0.75 G C 0.77 K C 0.59 L H 0.35 A H 0.39 V H 0.55 I H 0.70 P H 0.84 M H 0.88 L H 0.89 I H 0.91 A H 0.91 L H 0.90 W H 0.91 K H 0.90 C H 0.87 M H 0.79 L H 0.66 A H 0.54 S C 0.56 E C 0.55 T C 0.54 D C 0.53 I C 0.48 C C 0.53 D H 0.50 Q H 0.83 E H 0.87 V H 0.90 L H 0.91 K H 0.92 S H 0.90 I H 0.89 M H 0.88 N H 0.84 S H 0.82 V H 0.82 I H 0.78 A H 0.70 K H 0.61 F H 0.47 E H 0.36 L E 0.38 Q E 0.42 I C 0.52 P C 0.66 C C 0.64 K C 0.61 N C 0.56 A C 0.43 V E 0.50 I E 0.53 D E 0.48 A E 0.41 T E 0.40 L C 0.47 S C 0.68 G C 0.79 S C 0.76 R C 0.59 E C 0.47 E E 0.58 V E 0.75 H E 0.85 I E 0.89 I E 0.88 A E 0.71 E C 0.54 D C 0.79 G C 0.78 S C 0.65 L C 0.50 E C 0.56 N C 0.71 S C 0.79 N C 0.83 G C 0.80 T C 0.68 T C 0.50 E C 0.45 H C 0.46 F C 0.50 N C 0.56 K C 0.58 K C 0.61 H C 0.65 D C 0.60 L E 0.70 V E 0.85 F E 0.88 V E 0.78 K E 0.55 T C 0.61 D C 0.70 L C 0.78 H C 0.89 P C 0.54 E C 0.52 D C 0.50 F C 0.72 T C 0.79 P C 0.53 Q C 0.54 M C 0.59 F C 0.74 P C 0.57 S H 0.57 Q H 0.72 A H 0.74 K H 0.77 A H 0.82 K H 0.82 L H 0.82 L H 0.83 R H 0.82 D H 0.77 A H 0.70 F H 0.51 N C 0.68 N C 0.74 E C 0.59 E C 0.58 D C 0.60 E C 0.50 D C 0.55 T C 0.57 F C 0.63 P C 0.50 D H 0.49 I H 0.51 L H 0.44 V H 0.44 P H 0.56 A H 0.64 Y H 0.59 M H 0.52 T H 0.43 A H 0.45 H C 0.53 S C 0.58 K C 0.56 N C 0.61 R C 0.55 V C 0.51 R C 0.53 Q C 0.49 E C 0.57 D C 0.60 Y C 0.49 T E 0.53 C E 0.62 L E 0.62 E E 0.63 V E 0.59 E E 0.50 F C 0.43 D C 0.55 S C 0.45 Q H 0.64 V H 0.70 A H 0.74 L H 0.83 E H 0.84 K H 0.82 L H 0.76 M H 0.67 N H 0.52 E H 0.50 H C 0.50 E C 0.52 Q C 0.51 V C 0.56 E C 0.63 G C 0.62 F E 0.48 E E 0.69 V E 0.67 Q E 0.51 Q C 0.60 G C 0.71 G E 0.53 I E 0.84 L E 0.89 V E 0.88 A E 0.84 L E 0.68 K E 0.46 K C 0.63 D C 0.70 S C 0.65 F C 0.63 F C 0.66 D C 0.63 D H 0.79 E H 0.84 L H 0.88 I H 0.90 E H 0.90 K H 0.90 I H 0.89 A H 0.88 I H 0.86 A H 0.82 I H 0.72 A H 0.58 T H 0.48 E C 0.46 S C 0.54 R C 0.54 Q C 0.55 S C 0.54 V C 0.47 S C 0.47 S C 0.39 V E 0.40 S E 0.48 F E 0.43 D E 0.37 L H 0.45 L E 0.36 K C 0.36 L C 0.55 G C 0.83 P C 0.88 G C 0.86 A C 0.69 S C 0.48 L E 0.59 V E 0.65 T E 0.63 L E 0.50 A C 0.46 N C 0.64 S C 0.69 R C 0.67 R C 0.69 F C 0.76 E C 0.84 P C 0.72 E C 0.63 C E 0.49 R E 0.74 V E 0.89 V E 0.92 L E 0.89 Q E 0.90 I E 0.88 E E 0.83 V E 0.73 K E 0.60 P C 0.52 V C 0.69 S C 0.85 P C 0.88 G C 0.89 E C 0.81 T C 0.75 S C 0.75 S C 0.74 E C 0.75 G C 0.75 I C 0.69 S C 0.69 D C 0.65 E C 0.53 H C 0.51 H C 0.51 Y C 0.47 E H 0.48 E C 0.46 Y C 0.62 D C 0.74 E H 0.56 D H 0.55 D H 0.57 I H 0.62 M H 0.62 E H 0.60 E H 0.61 E H 0.53 E H 0.49 A C 0.68 P C 0.64 S C 0.58 A C 0.54 R C 0.56 Q C 0.59 D C 0.66 D C 0.67 T C 0.67 Y C 0.65 D C 0.69 E C 0.66 D C 0.70 E C 0.79 E C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 12:15:19 2002 Date: Thu, 15 Aug 2002 12:15:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0174 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 Thu Aug 15 11:47:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_606332_24779 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0174TS189_1 Current information on models submitted in prediction T0174TS189 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_1 PIN_606332_24779 5035-2079-5263 08/15/02 11:47:14 casp5@bialko.llnl.gov T0174TS189_4 PIN_565869_24768 5035-2079-5263 08/15/02 11:43:47 casp5@bialko.llnl.gov T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 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 T0174 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_1 PIN_606332_24779 5035-2079-5263 08/15/02 11:47:14 casp5@bialko.llnl.gov T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 casp5@bialko.llnl.gov T0174TS189_4 PIN_565869_24768 5035-2079-5263 08/15/02 11:43:47 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 T0174 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1KKO_A # Loading PARENT structure: 1kko (chain: A) # Number of residues in PARENT structure: 401 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue V 24 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue T 26 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 27 # IMPORTANT NOTE! Not complete main chain atoms for residue M 28 # IMPORTANT NOTE! Not complete main chain atoms for residue E 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue E 31 # IMPORTANT NOTE! Not complete main chain atoms for residue D 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue P 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue K 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue H 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue C 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue R 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue S 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue H 80 # IMPORTANT NOTE! Not complete main chain atoms for residue M 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue L 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue H 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue F 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue L 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue P 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue W 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue M 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue K 152 # IMPORTANT NOTE! Not complete main chain atoms for residue S 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue M 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue K 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 165 # IMPORTANT NOTE! Not complete main chain atoms for residue I 166 # IMPORTANT NOTE! Not complete main chain atoms for residue P 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue I 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue E 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0174 # Total number of residues in target: 417 # Total number of residues in model: 143 # Total number of atoms in model: 143 # Number of atoms with 1.0 occupancy: 143 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 143 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0174 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1KKO_A ATOM 31 CA VAL 24 -23.661 158.927 -51.796 1.00 1.00 ATOM 32 CA LEU 25 -26.475 156.963 -53.455 1.00 1.00 ATOM 33 CA THR 26 -29.088 158.385 -51.098 1.00 1.00 ATOM 34 CA TYR 27 -30.249 156.539 -47.986 1.00 1.00 ATOM 35 CA MET 28 -30.835 158.806 -45.007 1.00 1.00 ATOM 36 CA GLU 29 -33.459 158.836 -42.288 1.00 1.00 ATOM 37 CA THR 30 -37.158 158.190 -42.747 1.00 1.00 ATOM 38 CA GLU 31 -38.713 155.242 -44.562 1.00 1.00 ATOM 39 CA ASP 32 -40.912 152.801 -42.617 1.00 1.00 ATOM 40 CA ASP 33 -42.571 150.736 -45.367 1.00 1.00 ATOM 41 CA PRO 34 -46.050 151.870 -46.409 1.00 1.00 ATOM 42 CA ASN 35 -46.099 153.860 -49.644 1.00 1.00 ATOM 43 CA PHE 36 -42.492 154.990 -49.377 1.00 1.00 ATOM 44 CA ARG 37 -41.857 158.685 -48.915 1.00 1.00 ATOM 45 CA ASN 38 -38.050 158.225 -49.079 1.00 1.00 ATOM 46 CA SER 39 -35.889 155.185 -48.316 1.00 1.00 ATOM 47 CA LYS 40 -34.855 155.102 -51.982 1.00 1.00 ATOM 48 CA LEU 41 -37.072 156.348 -54.820 1.00 1.00 ATOM 49 CA ALA 42 -36.632 156.381 -58.585 1.00 1.00 ATOM 50 CA ALA 43 -37.994 153.218 -60.151 1.00 1.00 ATOM 51 CA ALA 44 -41.060 153.813 -62.310 1.00 1.00 ATOM 52 CA PRO 45 -43.045 151.918 -64.869 1.00 1.00 ATOM 53 CA HIS 46 -46.096 152.382 -67.045 1.00 1.00 ATOM 54 CA THR 47 -45.795 151.358 -70.670 1.00 1.00 ATOM 55 CA VAL 48 -48.843 149.770 -72.246 1.00 1.00 ATOM 56 CA HIS 49 -49.235 150.122 -76.004 1.00 1.00 ATOM 57 CA MET 50 -52.045 148.394 -77.849 1.00 1.00 ATOM 59 CA MET 51 -54.313 146.746 -83.279 1.00 1.00 ATOM 60 CA ASP 52 -56.640 146.838 -86.276 1.00 1.00 ATOM 61 CA SER 53 -53.748 145.772 -88.550 1.00 1.00 ATOM 62 CA GLY 54 -51.739 148.818 -87.380 1.00 1.00 ATOM 63 CA PHE 55 -49.319 146.821 -85.237 1.00 1.00 ATOM 64 CA LEU 56 -48.413 148.161 -81.837 1.00 1.00 ATOM 65 CA ALA 57 -48.127 145.631 -79.025 1.00 1.00 ATOM 66 CA ILE 58 -46.102 146.601 -75.977 1.00 1.00 ATOM 67 CA ASN 59 -45.709 145.686 -72.341 1.00 1.00 ATOM 68 CA ARG 60 -44.452 147.381 -69.184 1.00 1.00 ATOM 69 CA GLN 61 -46.039 147.554 -65.787 1.00 1.00 ATOM 70 CA CYS 62 -43.121 147.226 -63.351 1.00 1.00 ATOM 71 CA LEU 63 -42.488 146.119 -59.787 1.00 1.00 ATOM 72 CA VAL 64 -39.533 144.780 -57.847 1.00 1.00 ATOM 73 CA LYS 65 -36.862 146.842 -56.139 1.00 1.00 ATOM 74 CA GLY 66 -37.928 145.745 -52.662 1.00 1.00 ATOM 75 CA LYS 67 -41.615 146.501 -53.210 1.00 1.00 ATOM 76 CA ALA 68 -43.946 146.205 -50.241 1.00 1.00 ATOM 77 CA ILE 69 -41.537 143.699 -48.648 1.00 1.00 ATOM 78 CA LEU 70 -42.131 139.996 -48.065 1.00 1.00 ATOM 79 CA ALA 71 -45.824 139.956 -48.906 1.00 1.00 ATOM 80 CA ARG 72 -45.380 141.775 -52.208 1.00 1.00 ATOM 81 CA GLU 73 -47.604 144.498 -53.544 1.00 1.00 ATOM 82 CA PRO 74 -46.632 148.113 -52.772 1.00 1.00 ATOM 83 CA LYS 75 -44.173 150.270 -54.744 1.00 1.00 ATOM 84 CA SER 76 -45.584 151.303 -58.078 1.00 1.00 ATOM 85 CA SER 77 -45.730 154.976 -59.054 1.00 1.00 ATOM 86 CA ASN 78 -47.067 156.214 -62.404 1.00 1.00 ATOM 87 CA GLU 79 -48.716 159.333 -60.964 1.00 1.00 ATOM 88 CA HIS 80 -51.401 157.241 -59.334 1.00 1.00 ATOM 89 CA MET 81 -51.718 154.556 -61.939 1.00 1.00 ATOM 90 CA ILE 82 -51.989 156.566 -65.166 1.00 1.00 ATOM 91 CA ASP 83 -55.476 157.975 -64.378 1.00 1.00 ATOM 92 CA ASP 84 -56.525 154.642 -62.857 1.00 1.00 ATOM 93 CA LEU 85 -55.555 152.782 -66.042 1.00 1.00 ATOM 94 CA PRO 86 -57.110 155.314 -68.409 1.00 1.00 ATOM 95 CA LYS 87 -60.358 155.327 -66.407 1.00 1.00 ATOM 96 CA HIS 88 -60.766 151.673 -65.487 1.00 1.00 ATOM 97 CA ALA 89 -58.692 149.618 -67.885 1.00 1.00 ATOM 98 CA HIS 90 -58.585 151.400 -71.240 1.00 1.00 ATOM 99 CA ASP 91 -62.320 150.670 -71.893 1.00 1.00 ATOM 100 CA GLN 92 -61.752 147.008 -71.103 1.00 1.00 ATOM 101 CA ILE 102 -58.955 146.839 -73.672 1.00 1.00 ATOM 102 CA ASP 103 -60.281 148.845 -76.591 1.00 1.00 ATOM 103 CA GLN 104 -62.365 146.612 -78.851 1.00 1.00 ATOM 104 CA LEU 105 -61.073 143.469 -77.161 1.00 1.00 ATOM 105 CA LYS 106 -60.220 140.530 -79.367 1.00 1.00 ATOM 106 CA LEU 107 -56.612 139.328 -79.186 1.00 1.00 ATOM 107 CA HIS 108 -56.677 136.262 -81.419 1.00 1.00 ATOM 108 CA ASN 109 -55.967 134.326 -78.239 1.00 1.00 ATOM 110 CA VAL 110 -55.015 133.186 -72.204 1.00 1.00 ATOM 111 CA TYR 111 -58.663 134.261 -71.792 1.00 1.00 ATOM 112 CA GLU 112 -57.585 137.912 -71.772 1.00 1.00 ATOM 113 CA ILE 113 -54.715 137.225 -69.383 1.00 1.00 ATOM 114 CA ASN 114 -57.058 135.407 -66.995 1.00 1.00 ATOM 115 CA PHE 115 -59.646 138.171 -67.178 1.00 1.00 ATOM 116 CA TYR 116 -57.230 140.850 -66.054 1.00 1.00 ATOM 117 CA ASP 117 -55.508 138.560 -63.579 1.00 1.00 ATOM 118 CA PRO 118 -58.750 138.170 -61.583 1.00 1.00 ATOM 119 CA LEU 119 -60.290 141.604 -62.126 1.00 1.00 ATOM 120 CA ASP 120 -61.163 143.614 -59.007 1.00 1.00 ATOM 121 CA SER 121 -61.624 147.393 -58.849 1.00 1.00 ATOM 122 CA SER 122 -63.093 148.828 -55.658 1.00 1.00 ATOM 123 CA GLY 123 -62.695 145.288 -54.246 1.00 1.00 ATOM 124 CA LYS 124 -58.994 144.880 -54.923 1.00 1.00 ATOM 125 CA LEU 125 -57.173 142.745 -57.469 1.00 1.00 ATOM 126 CA ALA 126 -55.103 144.790 -59.804 1.00 1.00 ATOM 127 CA VAL 127 -51.588 145.465 -58.579 1.00 1.00 ATOM 128 CA ILE 128 -49.259 142.682 -59.734 1.00 1.00 ATOM 129 CA PRO 129 -47.315 145.269 -61.780 1.00 1.00 ATOM 130 CA MET 130 -50.440 146.170 -63.749 1.00 1.00 ATOM 131 CA LEU 131 -51.273 142.533 -64.412 1.00 1.00 ATOM 132 CA ILE 132 -47.616 142.023 -65.377 1.00 1.00 ATOM 133 CA ALA 133 -47.616 144.852 -67.919 1.00 1.00 ATOM 134 CA LEU 134 -51.072 144.223 -69.336 1.00 1.00 ATOM 135 CA TRP 135 -50.333 140.549 -69.821 1.00 1.00 ATOM 136 CA LYS 136 -47.048 141.303 -71.615 1.00 1.00 ATOM 137 CA CYS 137 -48.854 143.597 -74.024 1.00 1.00 ATOM 138 CA MET 138 -51.699 141.099 -74.538 1.00 1.00 ATOM 139 CA LEU 139 -49.218 138.337 -75.371 1.00 1.00 ATOM 140 CA ALA 140 -47.434 140.651 -77.767 1.00 1.00 ATOM 141 CA SER 141 -50.852 141.578 -79.251 1.00 1.00 ATOM 142 CA GLU 142 -51.788 137.953 -79.927 1.00 1.00 ATOM 143 CA GLU 149 -48.383 137.483 -81.523 1.00 1.00 ATOM 144 CA VAL 150 -48.594 140.583 -83.749 1.00 1.00 ATOM 145 CA LEU 151 -52.196 139.765 -84.698 1.00 1.00 ATOM 146 CA LYS 152 -51.231 136.337 -86.034 1.00 1.00 ATOM 147 CA SER 153 -47.726 136.483 -87.484 1.00 1.00 ATOM 148 CA ILE 154 -46.297 134.553 -84.558 1.00 1.00 ATOM 149 CA MET 155 -43.525 135.269 -82.117 1.00 1.00 ATOM 150 CA ASN 156 -44.545 135.639 -78.482 1.00 1.00 ATOM 151 CA SER 157 -42.744 132.353 -77.759 1.00 1.00 ATOM 152 CA VAL 158 -44.890 130.600 -80.373 1.00 1.00 ATOM 153 CA ILE 159 -48.108 131.896 -78.886 1.00 1.00 ATOM 154 CA ALA 160 -47.110 130.392 -75.543 1.00 1.00 ATOM 155 CA LYS 161 -46.155 127.074 -77.118 1.00 1.00 ATOM 156 CA PHE 162 -49.440 126.976 -79.038 1.00 1.00 ATOM 157 CA GLU 163 -51.746 127.843 -76.119 1.00 1.00 ATOM 158 CA LEU 164 -49.972 125.587 -73.612 1.00 1.00 ATOM 159 CA GLN 165 -49.412 122.880 -76.221 1.00 1.00 ATOM 160 CA ILE 166 -45.617 122.894 -75.782 1.00 1.00 ATOM 161 CA PRO 167 -43.095 121.563 -78.309 1.00 1.00 ATOM 162 CA CYS 168 -41.081 124.796 -78.727 1.00 1.00 ATOM 163 CA LYS 169 -37.654 123.232 -79.448 1.00 1.00 ATOM 164 CA ASN 170 -35.173 126.121 -79.996 1.00 1.00 ATOM 165 CA ALA 171 -32.615 126.012 -77.207 1.00 1.00 ATOM 166 CA VAL 172 -30.861 128.511 -74.984 1.00 1.00 ATOM 167 CA ILE 173 -31.665 128.926 -71.310 1.00 1.00 ATOM 168 CA ASP 174 -28.778 129.348 -68.831 1.00 1.00 ATOM 169 CA ILE 186 -28.447 133.009 -67.836 1.00 1.00 ATOM 170 CA ILE 187 -27.633 134.372 -64.392 1.00 1.00 ATOM 171 CA ALA 188 -25.868 137.700 -63.876 1.00 1.00 ATOM 172 CA GLU 189 -26.279 139.804 -60.733 1.00 1.00 ATOM 173 CA ASP 190 -23.554 142.105 -59.459 1.00 1.00 ATOM 174 CA GLY 191 -25.208 144.193 -56.808 1.00 1.00 ATOM 175 CA SER 192 -22.536 145.332 -54.331 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 12:09:08 2002 Date: Thu, 15 Aug 2002 12:09:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0174 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 Thu Aug 15 11:40:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_535969_24763 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0174TS189_2 Current information on models submitted in prediction T0174TS189 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 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 T0174 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 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 T0174 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1K47_A # Loading PARENT structure: 1k47 (chain: A) # Number of residues in PARENT structure: 314 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue C 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue R 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue H 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue H 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue I 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue F 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue P 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue W 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue M 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue C 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue K 152 # IMPORTANT NOTE! Not complete main chain atoms for residue S 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue M 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue K 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0174 # Total number of residues in target: 417 # Total number of residues in model: 102 # Total number of atoms in model: 102 # Number of atoms with 1.0 occupancy: 102 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 102 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0174 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1K47_A ATOM 18 CA MET 50 68.820 58.749 -19.279 1.00 1.00 ATOM 19 CA MET 51 65.395 59.910 -20.497 1.00 1.00 ATOM 20 CA ASP 52 66.771 59.633 -24.047 1.00 1.00 ATOM 21 CA SER 53 66.739 55.996 -25.296 1.00 1.00 ATOM 22 CA GLY 54 70.179 54.436 -25.502 1.00 1.00 ATOM 23 CA PHE 55 71.571 56.766 -22.872 1.00 1.00 ATOM 24 CA LEU 56 73.394 55.491 -19.780 1.00 1.00 ATOM 25 CA ALA 57 72.968 56.017 -16.030 1.00 1.00 ATOM 26 CA ILE 58 74.727 54.760 -12.895 1.00 1.00 ATOM 27 CA ASN 59 72.172 53.918 -10.174 1.00 1.00 ATOM 28 CA ARG 60 72.789 52.770 -6.586 1.00 1.00 ATOM 29 CA GLN 61 70.472 50.556 -4.542 1.00 1.00 ATOM 30 CA CYS 62 69.793 51.612 -0.933 1.00 1.00 ATOM 31 CA LEU 63 69.141 49.020 1.857 1.00 1.00 ATOM 32 CA VAL 64 66.201 50.947 3.345 1.00 1.00 ATOM 33 CA LYS 65 63.400 48.496 2.729 1.00 1.00 ATOM 35 CA LYS 67 58.135 45.118 3.219 1.00 1.00 ATOM 36 CA ALA 68 55.035 43.062 2.537 1.00 1.00 ATOM 37 CA ILE 69 53.465 39.825 3.753 1.00 1.00 ATOM 38 CA LEU 70 51.115 37.904 1.471 1.00 1.00 ATOM 39 CA ALA 71 48.839 34.887 1.667 1.00 1.00 ATOM 40 CA ARG 72 45.656 33.468 0.214 1.00 1.00 ATOM 41 CA GLU 73 42.418 34.284 2.071 1.00 1.00 ATOM 42 CA PRO 74 38.608 34.333 1.732 1.00 1.00 ATOM 43 CA LYS 75 38.503 37.756 0.049 1.00 1.00 ATOM 44 CA SER 76 40.951 40.287 -1.415 1.00 1.00 ATOM 60 CA LEU 85 49.156 54.705 2.475 1.00 1.00 ATOM 61 CA PRO 86 51.075 53.956 -0.761 1.00 1.00 ATOM 62 CA LYS 87 49.207 54.787 -3.963 1.00 1.00 ATOM 63 CA HIS 88 46.185 52.480 -3.796 1.00 1.00 ATOM 64 CA ALA 89 45.467 52.531 -7.526 1.00 1.00 ATOM 65 CA HIS 90 49.132 51.757 -8.218 1.00 1.00 ATOM 66 CA ASP 91 48.939 48.581 -6.138 1.00 1.00 ATOM 67 CA GLN 92 45.637 47.606 -7.819 1.00 1.00 ATOM 68 CA HIS 93 47.006 48.125 -11.320 1.00 1.00 ATOM 69 CA THR 94 50.011 45.965 -10.472 1.00 1.00 ATOM 70 CA LEU 95 47.765 43.241 -9.134 1.00 1.00 ATOM 71 CA SER 96 45.626 43.431 -12.288 1.00 1.00 ATOM 72 CA ILE 97 48.654 43.152 -14.575 1.00 1.00 ATOM 74 CA ARG 99 46.549 38.522 -12.930 1.00 1.00 ATOM 75 CA ASP 100 47.095 38.803 -16.676 1.00 1.00 ATOM 76 CA PHE 101 50.635 37.440 -16.489 1.00 1.00 ATOM 77 CA ILE 102 49.530 34.561 -14.250 1.00 1.00 ATOM 78 CA ASP 103 46.711 33.796 -16.676 1.00 1.00 ATOM 79 CA GLN 104 49.324 33.503 -19.427 1.00 1.00 ATOM 80 CA LEU 105 51.255 31.140 -17.121 1.00 1.00 ATOM 81 CA LYS 106 48.210 28.886 -16.863 1.00 1.00 ATOM 83 CA LEU 107 44.381 31.963 -11.872 1.00 1.00 ATOM 84 CA HIS 108 44.367 34.870 -9.445 1.00 1.00 ATOM 85 CA ASN 109 42.398 33.977 -6.288 1.00 1.00 ATOM 86 CA VAL 110 41.490 35.942 -3.153 1.00 1.00 ATOM 87 CA TYR 111 44.664 36.843 -1.242 1.00 1.00 ATOM 88 CA GLU 112 45.686 39.343 1.419 1.00 1.00 ATOM 89 CA ILE 113 48.601 41.760 1.140 1.00 1.00 ATOM 90 CA ASN 114 50.119 43.771 3.981 1.00 1.00 ATOM 91 CA PHE 115 52.653 46.523 3.242 1.00 1.00 ATOM 92 CA TYR 116 54.972 48.104 5.786 1.00 1.00 ATOM 93 CA ASP 117 58.602 48.895 6.545 1.00 1.00 ATOM 94 CA PRO 118 60.776 52.000 6.971 1.00 1.00 ATOM 96 CA ASP 120 56.468 52.765 4.151 1.00 1.00 ATOM 97 CA SER 121 56.405 54.490 7.538 1.00 1.00 ATOM 98 CA SER 122 57.315 57.892 6.068 1.00 1.00 ATOM 99 CA GLY 123 55.820 58.286 2.591 1.00 1.00 ATOM 100 CA LYS 124 57.964 59.950 -0.075 1.00 1.00 ATOM 101 CA LEU 125 60.206 62.136 2.125 1.00 1.00 ATOM 102 CA ALA 126 63.652 60.852 1.117 1.00 1.00 ATOM 103 CA VAL 127 63.314 60.554 -2.677 1.00 1.00 ATOM 104 CA ILE 128 64.349 56.907 -2.716 1.00 1.00 ATOM 109 CA PRO 129 59.523 50.114 -4.874 1.00 1.00 ATOM 110 CA MET 130 55.832 49.368 -4.254 1.00 1.00 ATOM 111 CA LEU 131 55.312 48.052 -7.814 1.00 1.00 ATOM 112 CA ILE 132 58.345 45.749 -7.594 1.00 1.00 ATOM 113 CA ALA 133 57.205 44.726 -4.120 1.00 1.00 ATOM 114 CA LEU 134 53.683 43.678 -5.178 1.00 1.00 ATOM 115 CA TRP 135 55.098 41.792 -8.185 1.00 1.00 ATOM 116 CA LYS 136 57.649 39.921 -6.074 1.00 1.00 ATOM 117 CA CYS 137 54.842 39.208 -3.606 1.00 1.00 ATOM 118 CA MET 138 52.435 37.730 -6.160 1.00 1.00 ATOM 119 CA LEU 139 55.131 35.783 -8.025 1.00 1.00 ATOM 120 CA ALA 140 56.251 34.241 -4.719 1.00 1.00 ATOM 121 CA SER 141 52.680 33.378 -3.715 1.00 1.00 ATOM 122 CA GLU 142 52.505 31.496 -7.024 1.00 1.00 ATOM 123 CA THR 143 55.862 29.691 -6.810 1.00 1.00 ATOM 124 CA ASP 144 57.469 31.803 -9.507 1.00 1.00 ATOM 125 CA ILE 145 60.934 33.333 -9.422 1.00 1.00 ATOM 126 CA CYS 146 61.709 35.291 -12.578 1.00 1.00 ATOM 127 CA ASP 147 64.983 36.839 -13.665 1.00 1.00 ATOM 128 CA GLN 148 66.114 40.456 -13.405 1.00 1.00 ATOM 129 CA GLU 149 64.981 41.406 -16.904 1.00 1.00 ATOM 130 CA VAL 150 61.527 39.834 -16.629 1.00 1.00 ATOM 131 CA LEU 151 60.948 41.442 -13.220 1.00 1.00 ATOM 132 CA LYS 152 61.975 44.730 -14.801 1.00 1.00 ATOM 133 CA SER 153 59.584 44.085 -17.682 1.00 1.00 ATOM 134 CA ILE 154 56.614 43.226 -15.486 1.00 1.00 ATOM 135 CA MET 155 57.105 46.255 -13.254 1.00 1.00 ATOM 136 CA ASN 156 57.859 48.702 -16.087 1.00 1.00 ATOM 137 CA SER 157 54.757 47.399 -17.863 1.00 1.00 ATOM 138 CA VAL 158 52.466 48.640 -15.085 1.00 1.00 ATOM 139 CA ILE 159 53.954 52.124 -15.254 1.00 1.00 ATOM 140 CA ALA 160 53.910 52.139 -19.041 1.00 1.00 ATOM 141 CA LYS 161 50.216 51.229 -19.097 1.00 1.00 ATOM 142 CA PHE 162 49.852 54.123 -16.646 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 12:18:40 2002 Date: Thu, 15 Aug 2002 12:18:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0174 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 Thu Aug 15 11:50:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_641118_24791 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0174TS189_3 Current information on models submitted in prediction T0174TS189 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_3 PIN_641118_24791 5035-2079-5263 08/15/02 11:50:47 casp5@bialko.llnl.gov T0174TS189_1 PIN_606332_24779 5035-2079-5263 08/15/02 11:47:14 casp5@bialko.llnl.gov T0174TS189_4 PIN_565869_24768 5035-2079-5263 08/15/02 11:43:47 casp5@bialko.llnl.gov T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 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 T0174 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_1 PIN_606332_24779 5035-2079-5263 08/15/02 11:47:14 casp5@bialko.llnl.gov T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 casp5@bialko.llnl.gov T0174TS189_3 PIN_641118_24791 5035-2079-5263 08/15/02 11:50:47 casp5@bialko.llnl.gov T0174TS189_4 PIN_565869_24768 5035-2079-5263 08/15/02 11:43:47 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 T0174 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1JKS_A # Loading PARENT structure: 1jks (chain: A) # Number of residues in PARENT structure: 280 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 36 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue K 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue A 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue H 46 # IMPORTANT NOTE! Not complete main chain atoms for residue T 47 # IMPORTANT NOTE! Not complete main chain atoms for residue V 48 # IMPORTANT NOTE! Not complete main chain atoms for residue H 49 # IMPORTANT NOTE! Not complete main chain atoms for residue M 50 # IMPORTANT NOTE! Not complete main chain atoms for residue M 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue S 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue F 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue I 58 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue R 60 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 61 # IMPORTANT NOTE! Not complete main chain atoms for residue C 62 # IMPORTANT NOTE! Not complete main chain atoms for residue L 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue K 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue R 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue S 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue H 80 # IMPORTANT NOTE! Not complete main chain atoms for residue M 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue H 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue H 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue I 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue F 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue L 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue L 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue W 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue M 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue C 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue K 152 # IMPORTANT NOTE! Not complete main chain atoms for residue S 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue M 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue K 161 # IMPORTANT NOTE! Not complete main chain atoms for residue F 162 # IMPORTANT NOTE! Not complete main chain atoms for residue E 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 165 # IMPORTANT NOTE! Not complete main chain atoms for residue I 166 # IMPORTANT NOTE! Not complete main chain atoms for residue P 167 # IMPORTANT NOTE! Not complete main chain atoms for residue C 168 # IMPORTANT NOTE! Not complete main chain atoms for residue K 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue A 171 # IMPORTANT NOTE! Not complete main chain atoms for residue V 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue D 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue S 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue R 181 # IMPORTANT NOTE! Not complete main chain atoms for residue E 182 # IMPORTANT NOTE! Not complete main chain atoms for residue E 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue H 185 # IMPORTANT NOTE! Not complete main chain atoms for residue I 186 # IMPORTANT NOTE! Not complete main chain atoms for residue I 187 # IMPORTANT NOTE! Not complete main chain atoms for residue A 188 # IMPORTANT NOTE! Not complete main chain atoms for residue E 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue G 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue E 194 # IMPORTANT NOTE! Not complete main chain atoms for residue N 195 # IMPORTANT NOTE! Not complete main chain atoms for residue S 196 # IMPORTANT NOTE! Not complete main chain atoms for residue N 197 # IMPORTANT NOTE! Not complete main chain atoms for residue G 198 # IMPORTANT NOTE! Not complete main chain atoms for residue T 199 # IMPORTANT NOTE! Not complete main chain atoms for residue T 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 211 # IMPORTANT NOTE! Not complete main chain atoms for residue V 212 # IMPORTANT NOTE! Not complete main chain atoms for residue K 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue H 217 # IMPORTANT NOTE! Not complete main chain atoms for residue P 218 # IMPORTANT NOTE! Not complete main chain atoms for residue E 219 # IMPORTANT NOTE! Not complete main chain atoms for residue D 220 # IMPORTANT NOTE! Not complete main chain atoms for residue F 221 # IMPORTANT NOTE! Not complete main chain atoms for residue T 222 # IMPORTANT NOTE! Not complete main chain atoms for residue P 223 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0174 # Total number of residues in target: 417 # Total number of residues in model: 165 # Total number of atoms in model: 165 # Number of atoms with 1.0 occupancy: 165 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 165 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0174 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1JKS_A ATOM 4 CA PHE 36 25.016 33.943 -8.083 1.00 1.00 ATOM 5 CA ARG 37 21.245 34.287 -8.635 1.00 1.00 ATOM 6 CA ASN 38 20.328 37.950 -8.604 1.00 1.00 ATOM 7 CA SER 39 16.539 37.720 -8.529 1.00 1.00 ATOM 8 CA LYS 40 15.089 38.962 -5.229 1.00 1.00 ATOM 9 CA LEU 41 15.170 36.021 -2.821 1.00 1.00 ATOM 10 CA ALA 42 11.878 37.297 -1.412 1.00 1.00 ATOM 11 CA ALA 43 10.182 36.341 -4.672 1.00 1.00 ATOM 12 CA ALA 44 11.039 32.687 -4.065 1.00 1.00 ATOM 13 CA PRO 45 11.219 32.367 -0.277 1.00 1.00 ATOM 14 CA HIS 46 9.350 33.618 2.779 1.00 1.00 ATOM 15 CA THR 47 11.445 34.044 5.922 1.00 1.00 ATOM 16 CA VAL 48 10.556 33.490 9.553 1.00 1.00 ATOM 17 CA HIS 49 12.282 32.924 12.879 1.00 1.00 ATOM 18 CA MET 50 15.856 34.151 13.102 1.00 1.00 ATOM 19 CA MET 51 18.111 31.262 14.136 1.00 1.00 ATOM 20 CA ASP 52 21.343 33.105 14.793 1.00 1.00 ATOM 21 CA SER 53 23.189 36.382 14.358 1.00 1.00 ATOM 22 CA GLY 54 26.932 36.769 13.864 1.00 1.00 ATOM 23 CA PHE 55 29.388 39.565 13.117 1.00 1.00 ATOM 24 CA LEU 56 28.921 39.412 9.348 1.00 1.00 ATOM 25 CA ALA 57 26.023 36.983 8.929 1.00 1.00 ATOM 26 CA ILE 58 22.449 36.363 10.028 1.00 1.00 ATOM 27 CA ASN 59 20.532 33.110 9.585 1.00 1.00 ATOM 28 CA ARG 60 16.746 32.930 9.250 1.00 1.00 ATOM 29 CA GLN 61 14.367 30.021 8.787 1.00 1.00 ATOM 30 CA CYS 62 12.653 30.185 5.415 1.00 1.00 ATOM 31 CA LEU 63 10.183 28.363 3.202 1.00 1.00 ATOM 32 CA VAL 64 10.489 27.944 -0.554 1.00 1.00 ATOM 33 CA LYS 65 7.273 29.124 -2.187 1.00 1.00 ATOM 34 CA GLY 66 7.298 26.569 -5.015 1.00 1.00 ATOM 42 CA LYS 67 22.253 32.655 5.664 1.00 1.00 ATOM 43 CA ALA 68 22.738 36.326 4.775 1.00 1.00 ATOM 44 CA ILE 69 26.452 37.156 4.496 1.00 1.00 ATOM 45 CA LEU 70 27.331 40.857 4.375 1.00 1.00 ATOM 46 CA ALA 71 29.475 41.829 1.379 1.00 1.00 ATOM 47 CA ARG 72 32.379 44.251 1.549 1.00 1.00 ATOM 48 CA GLU 73 31.651 47.659 0.046 1.00 1.00 ATOM 49 CA PRO 74 35.290 48.493 -0.715 1.00 1.00 ATOM 50 CA LYS 75 38.496 46.471 -1.108 1.00 1.00 ATOM 51 CA SER 76 40.175 48.081 1.903 1.00 1.00 ATOM 52 CA SER 77 37.047 47.764 4.046 1.00 1.00 ATOM 53 CA ASN 78 37.192 45.751 7.269 1.00 1.00 ATOM 54 CA GLU 79 33.404 45.449 7.362 1.00 1.00 ATOM 55 CA HIS 80 31.793 42.571 5.510 1.00 1.00 ATOM 56 CA MET 81 33.236 39.424 3.983 1.00 1.00 ATOM 57 CA ILE 82 35.490 39.535 0.918 1.00 1.00 ATOM 58 CA ASP 83 34.199 38.022 -2.318 1.00 1.00 ATOM 59 CA ASP 84 37.078 35.558 -2.200 1.00 1.00 ATOM 60 CA HIS 90 36.081 34.377 1.277 1.00 1.00 ATOM 61 CA ASP 91 32.395 34.025 0.403 1.00 1.00 ATOM 62 CA GLN 92 33.177 32.075 -2.761 1.00 1.00 ATOM 63 CA HIS 93 35.459 29.720 -0.841 1.00 1.00 ATOM 64 CA THR 94 32.663 28.849 1.596 1.00 1.00 ATOM 65 CA LEU 95 30.188 28.297 -1.247 1.00 1.00 ATOM 66 CA SER 96 32.666 26.203 -3.258 1.00 1.00 ATOM 67 CA ILE 97 33.367 23.935 -0.299 1.00 1.00 ATOM 68 CA LEU 98 29.693 23.554 0.590 1.00 1.00 ATOM 69 CA ARG 99 28.896 22.585 -3.007 1.00 1.00 ATOM 70 CA ASP 100 31.430 19.737 -2.861 1.00 1.00 ATOM 71 CA PHE 101 30.124 18.209 0.345 1.00 1.00 ATOM 74 CA ILE 102 24.546 13.100 6.553 1.00 1.00 ATOM 75 CA ASP 103 26.662 14.795 9.234 1.00 1.00 ATOM 76 CA GLN 104 27.400 17.969 7.273 1.00 1.00 ATOM 77 CA LEU 105 25.039 20.793 6.329 1.00 1.00 ATOM 78 CA LYS 106 24.014 20.827 2.663 1.00 1.00 ATOM 79 CA LEU 107 23.764 23.815 0.327 1.00 1.00 ATOM 80 CA HIS 108 20.625 24.217 -1.792 1.00 1.00 ATOM 81 CA ASN 109 20.943 27.556 -3.632 1.00 1.00 ATOM 82 CA VAL 110 22.870 30.825 -3.610 1.00 1.00 ATOM 83 CA TYR 111 21.393 34.283 -4.251 1.00 1.00 ATOM 84 CA GLU 112 22.986 37.710 -4.029 1.00 1.00 ATOM 90 CA ASN 114 22.355 34.614 0.601 1.00 1.00 ATOM 91 CA PHE 115 23.040 30.919 1.046 1.00 1.00 ATOM 92 CA TYR 116 19.931 28.741 1.130 1.00 1.00 ATOM 93 CA ASP 117 21.057 25.909 3.398 1.00 1.00 ATOM 94 CA PRO 118 19.585 22.734 4.811 1.00 1.00 ATOM 95 CA LEU 119 17.499 23.568 7.887 1.00 1.00 ATOM 96 CA ASP 120 18.733 22.092 11.172 1.00 1.00 ATOM 97 CA SER 121 16.349 23.282 13.906 1.00 1.00 ATOM 98 CA SER 122 17.344 21.241 16.950 1.00 1.00 ATOM 99 CA GLY 123 19.609 24.011 18.201 1.00 1.00 ATOM 100 CA LYS 124 23.333 24.239 18.899 1.00 1.00 ATOM 101 CA LEU 125 25.178 21.481 20.726 1.00 1.00 ATOM 102 CA ALA 126 26.330 24.465 22.790 1.00 1.00 ATOM 103 CA LEU 134 22.760 25.051 23.994 1.00 1.00 ATOM 104 CA TRP 135 22.104 21.342 24.531 1.00 1.00 ATOM 105 CA LYS 136 25.191 21.100 26.753 1.00 1.00 ATOM 106 CA CYS 137 24.193 24.217 28.686 1.00 1.00 ATOM 107 CA MET 138 21.088 22.360 29.870 1.00 1.00 ATOM 108 CA LEU 139 22.592 18.970 30.721 1.00 1.00 ATOM 109 CA ALA 140 25.774 20.425 32.238 1.00 1.00 ATOM 110 CA SER 141 27.810 17.295 31.433 1.00 1.00 ATOM 111 CA GLU 142 27.322 14.076 29.447 1.00 1.00 ATOM 112 CA THR 143 27.962 10.415 30.258 1.00 1.00 ATOM 113 CA ASP 144 30.658 8.721 28.176 1.00 1.00 ATOM 114 CA ILE 145 27.936 6.926 26.214 1.00 1.00 ATOM 115 CA CYS 146 26.126 10.190 25.442 1.00 1.00 ATOM 116 CA ASP 147 29.432 11.871 24.606 1.00 1.00 ATOM 117 CA GLN 148 30.583 9.092 22.282 1.00 1.00 ATOM 118 CA GLU 149 27.177 9.055 20.585 1.00 1.00 ATOM 119 CA VAL 150 27.755 12.689 19.632 1.00 1.00 ATOM 120 CA LEU 151 31.470 12.261 18.967 1.00 1.00 ATOM 121 CA LYS 152 30.995 9.313 16.621 1.00 1.00 ATOM 122 CA SER 153 28.819 11.505 14.395 1.00 1.00 ATOM 123 CA ILE 154 31.239 14.428 14.542 1.00 1.00 ATOM 124 CA MET 155 34.120 12.068 13.727 1.00 1.00 ATOM 125 CA ASN 156 32.217 10.571 10.793 1.00 1.00 ATOM 126 CA SER 157 31.533 14.033 9.390 1.00 1.00 ATOM 127 CA VAL 158 35.134 15.158 9.872 1.00 1.00 ATOM 128 CA ILE 159 36.356 11.898 8.333 1.00 1.00 ATOM 129 CA ALA 160 34.357 12.764 5.221 1.00 1.00 ATOM 130 CA LYS 161 35.741 16.321 5.161 1.00 1.00 ATOM 131 CA PHE 162 39.361 15.302 5.748 1.00 1.00 ATOM 132 CA GLU 163 39.033 12.592 3.081 1.00 1.00 ATOM 133 CA LEU 164 38.352 15.447 0.641 1.00 1.00 ATOM 134 CA GLN 165 41.266 17.424 2.113 1.00 1.00 ATOM 135 CA ILE 166 38.869 19.944 3.640 1.00 1.00 ATOM 136 CA PRO 167 39.864 21.503 6.964 1.00 1.00 ATOM 137 CA CYS 168 36.943 23.089 8.824 1.00 1.00 ATOM 138 CA LYS 169 39.120 25.267 11.112 1.00 1.00 ATOM 139 CA ASN 170 36.206 26.378 13.295 1.00 1.00 ATOM 140 CA ALA 171 34.985 23.257 15.093 1.00 1.00 ATOM 145 CA VAL 172 27.409 21.552 15.675 1.00 1.00 ATOM 146 CA ILE 173 23.628 21.540 15.241 1.00 1.00 ATOM 147 CA ASP 174 21.105 18.933 16.365 1.00 1.00 ATOM 148 CA ALA 175 18.259 17.811 14.101 1.00 1.00 ATOM 149 CA THR 176 15.971 17.070 17.045 1.00 1.00 ATOM 150 CA LEU 177 17.002 17.714 20.650 1.00 1.00 ATOM 151 CA SER 178 13.979 15.899 22.085 1.00 1.00 ATOM 152 CA GLY 179 15.400 12.312 21.389 1.00 1.00 ATOM 153 CA SER 180 17.694 10.298 23.671 1.00 1.00 ATOM 154 CA ARG 181 20.401 10.164 20.968 1.00 1.00 ATOM 155 CA GLU 182 20.312 13.460 18.990 1.00 1.00 ATOM 156 CA GLU 183 21.707 13.321 15.457 1.00 1.00 ATOM 157 CA VAL 184 23.932 16.198 14.360 1.00 1.00 ATOM 158 CA HIS 185 25.329 18.150 11.449 1.00 1.00 ATOM 159 CA ILE 186 28.478 20.246 11.264 1.00 1.00 ATOM 160 CA ILE 187 27.801 23.819 10.123 1.00 1.00 ATOM 161 CA ALA 188 29.533 27.139 9.461 1.00 1.00 ATOM 162 CA GLU 189 32.205 26.625 6.832 1.00 1.00 ATOM 163 CA ASP 190 33.304 30.260 6.945 1.00 1.00 ATOM 164 CA GLY 191 36.908 29.365 7.788 1.00 1.00 ATOM 165 CA SER 192 37.022 26.094 5.868 1.00 1.00 ATOM 166 CA LEU 193 39.843 25.562 3.360 1.00 1.00 ATOM 167 CA GLU 194 40.953 22.984 0.817 1.00 1.00 ATOM 168 CA ASN 195 44.337 21.650 1.920 1.00 1.00 ATOM 169 CA SER 196 45.793 20.451 -1.382 1.00 1.00 ATOM 170 CA ASN 197 49.401 21.270 -0.497 1.00 1.00 ATOM 171 CA GLY 198 49.488 19.709 2.962 1.00 1.00 ATOM 172 CA THR 199 48.999 23.049 4.715 1.00 1.00 ATOM 173 CA THR 200 47.706 26.630 4.531 1.00 1.00 ATOM 174 CA PHE 211 49.749 29.624 5.726 1.00 1.00 ATOM 175 CA VAL 212 47.544 32.725 5.824 1.00 1.00 ATOM 176 CA LYS 213 46.797 33.648 9.458 1.00 1.00 ATOM 177 CA THR 214 43.566 31.638 9.656 1.00 1.00 ATOM 178 CA ASP 215 42.252 32.095 13.215 1.00 1.00 ATOM 179 CA LEU 216 39.153 30.859 15.036 1.00 1.00 ATOM 180 CA HIS 217 37.852 31.077 18.611 1.00 1.00 ATOM 181 CA PRO 218 40.682 31.099 21.214 1.00 1.00 ATOM 182 CA GLU 219 39.207 28.338 23.400 1.00 1.00 ATOM 183 CA ASP 220 39.193 25.895 20.491 1.00 1.00 ATOM 184 CA PHE 221 42.188 26.764 18.333 1.00 1.00 ATOM 185 CA THR 222 45.286 24.568 18.102 1.00 1.00 ATOM 186 CA PRO 223 48.778 25.783 19.086 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 12:11:29 2002 Date: Thu, 15 Aug 2002 12:11:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0174 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Aug 15 11:43:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_565869_24768 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0174TS189_4 Current information on models submitted in prediction T0174TS189 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_4 PIN_565869_24768 5035-2079-5263 08/15/02 11:43:47 casp5@bialko.llnl.gov T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 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 T0174 MODEL_INDEX PIN CODE DATE E-mail T0174TS189_2 PIN_535969_24763 5035-2079-5263 08/15/02 11:40:38 casp5@bialko.llnl.gov T0174TS189_4 PIN_565869_24768 5035-2079-5263 08/15/02 11:43:47 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 T0174 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1DK8_A # Loading PARENT structure: 1dk8 (chain: A) # Number of residues in PARENT structure: 147 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue P 74 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 75 # IMPORTANT NOTE! Not complete main chain atoms for residue S 76 # IMPORTANT NOTE! Not complete main chain atoms for residue S 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue H 80 # IMPORTANT NOTE! Not complete main chain atoms for residue M 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue L 85 # IMPORTANT NOTE! Not complete main chain atoms for residue P 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue A 89 # IMPORTANT NOTE! Not complete main chain atoms for residue H 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 92 # IMPORTANT NOTE! Not complete main chain atoms for residue H 93 # IMPORTANT NOTE! Not complete main chain atoms for residue T 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue S 96 # IMPORTANT NOTE! Not complete main chain atoms for residue I 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue R 99 # IMPORTANT NOTE! Not complete main chain atoms for residue D 100 # IMPORTANT NOTE! Not complete main chain atoms for residue F 101 # IMPORTANT NOTE! Not complete main chain atoms for residue I 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 104 # IMPORTANT NOTE! Not complete main chain atoms for residue L 105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue V 110 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue N 114 # IMPORTANT NOTE! Not complete main chain atoms for residue F 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue P 118 # IMPORTANT NOTE! Not complete main chain atoms for residue L 119 # IMPORTANT NOTE! Not complete main chain atoms for residue D 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue G 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue P 129 # IMPORTANT NOTE! Not complete main chain atoms for residue M 130 # IMPORTANT NOTE! Not complete main chain atoms for residue L 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue A 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue W 135 # IMPORTANT NOTE! Not complete main chain atoms for residue K 136 # IMPORTANT NOTE! Not complete main chain atoms for residue C 137 # IMPORTANT NOTE! Not complete main chain atoms for residue M 138 # IMPORTANT NOTE! Not complete main chain atoms for residue L 139 # IMPORTANT NOTE! Not complete main chain atoms for residue A 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 141 # IMPORTANT NOTE! Not complete main chain atoms for residue E 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue D 144 # IMPORTANT NOTE! Not complete main chain atoms for residue I 145 # IMPORTANT NOTE! Not complete main chain atoms for residue C 146 # IMPORTANT NOTE! Not complete main chain atoms for residue D 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue E 149 # IMPORTANT NOTE! Not complete main chain atoms for residue V 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue K 152 # IMPORTANT NOTE! Not complete main chain atoms for residue S 153 # IMPORTANT NOTE! Not complete main chain atoms for residue I 154 # IMPORTANT NOTE! Not complete main chain atoms for residue M 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue I 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue K 161 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0174 # Total number of residues in target: 417 # Total number of residues in model: 87 # Total number of atoms in model: 87 # Number of atoms with 1.0 occupancy: 87 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 87 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0174 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1DK8_A ATOM 115 CA PRO 74 12.485 37.169 18.340 1.00 1.00 ATOM 116 CA LYS 75 8.930 36.166 19.134 1.00 1.00 ATOM 117 CA SER 76 7.491 38.298 21.947 1.00 1.00 ATOM 118 CA SER 77 7.481 36.188 25.129 1.00 1.00 ATOM 119 CA ASN 78 3.712 36.371 25.667 1.00 1.00 ATOM 120 CA GLU 79 3.167 35.024 22.162 1.00 1.00 ATOM 121 CA HIS 80 5.619 32.179 22.724 1.00 1.00 ATOM 122 CA MET 81 3.540 31.190 25.754 1.00 1.00 ATOM 123 CA ILE 82 0.452 30.960 23.568 1.00 1.00 ATOM 124 CA ASP 83 2.288 28.627 21.194 1.00 1.00 ATOM 125 CA ASP 84 2.784 25.838 23.719 1.00 1.00 ATOM 126 CA LEU 85 2.540 25.045 27.413 1.00 1.00 ATOM 127 CA PRO 86 6.178 23.988 27.118 1.00 1.00 ATOM 128 CA LYS 87 7.169 27.523 26.114 1.00 1.00 ATOM 129 CA HIS 88 5.111 29.051 28.918 1.00 1.00 ATOM 130 CA ALA 89 6.768 26.795 31.490 1.00 1.00 ATOM 131 CA HIS 90 10.246 27.614 30.173 1.00 1.00 ATOM 132 CA ASP 91 9.896 31.317 31.011 1.00 1.00 ATOM 133 CA GLN 92 10.143 32.670 34.573 1.00 1.00 ATOM 134 CA HIS 93 7.741 35.507 33.771 1.00 1.00 ATOM 135 CA THR 94 5.263 33.051 32.274 1.00 1.00 ATOM 136 CA LEU 95 5.447 30.620 35.163 1.00 1.00 ATOM 137 CA SER 96 4.852 33.390 37.687 1.00 1.00 ATOM 138 CA ILE 97 1.873 34.840 35.838 1.00 1.00 ATOM 139 CA LEU 98 0.349 31.428 35.135 1.00 1.00 ATOM 140 CA ARG 99 0.884 30.301 38.726 1.00 1.00 ATOM 141 CA ASP 100 -0.849 33.380 40.107 1.00 1.00 ATOM 142 CA PHE 101 -3.720 32.846 37.677 1.00 1.00 ATOM 143 CA ILE 102 -4.017 29.263 38.945 1.00 1.00 ATOM 144 CA ASP 103 -3.832 30.286 42.612 1.00 1.00 ATOM 145 CA GLN 104 -6.835 32.567 42.127 1.00 1.00 ATOM 146 CA LEU 105 -8.888 29.593 40.933 1.00 1.00 ATOM 147 CA LYS 106 -7.536 27.159 43.523 1.00 1.00 ATOM 148 CA LEU 107 -5.696 25.239 40.807 1.00 1.00 ATOM 149 CA HIS 108 -2.047 25.969 41.595 1.00 1.00 ATOM 150 CA ASN 109 -1.507 22.397 42.781 1.00 1.00 ATOM 151 CA VAL 110 -1.692 21.288 39.145 1.00 1.00 ATOM 152 CA TYR 111 1.467 23.226 38.339 1.00 1.00 ATOM 153 CA GLU 112 3.226 22.648 41.659 1.00 1.00 ATOM 154 CA ILE 113 2.633 18.896 41.411 1.00 1.00 ATOM 155 CA ASN 114 3.790 18.882 37.802 1.00 1.00 ATOM 156 CA PHE 115 7.076 20.520 38.825 1.00 1.00 ATOM 164 CA TYR 116 16.963 12.070 41.339 1.00 1.00 ATOM 165 CA ASP 117 18.568 8.679 40.772 1.00 1.00 ATOM 166 CA PRO 118 18.796 5.859 43.356 1.00 1.00 ATOM 167 CA LEU 119 22.010 5.117 45.247 1.00 1.00 ATOM 168 CA ASP 120 22.562 3.381 48.599 1.00 1.00 ATOM 169 CA SER 121 22.959 6.645 50.484 1.00 1.00 ATOM 170 CA SER 122 19.884 8.614 49.383 1.00 1.00 ATOM 171 CA GLY 123 17.290 5.867 49.836 1.00 1.00 ATOM 172 CA LYS 124 15.441 7.370 52.807 1.00 1.00 ATOM 173 CA ALA 126 15.731 10.875 51.331 1.00 1.00 ATOM 174 CA VAL 127 14.009 9.746 48.131 1.00 1.00 ATOM 175 CA ILE 128 11.400 7.740 50.042 1.00 1.00 ATOM 176 CA PRO 129 10.516 10.677 52.260 1.00 1.00 ATOM 177 CA MET 130 10.234 12.979 49.252 1.00 1.00 ATOM 178 CA LEU 131 8.047 10.500 47.363 1.00 1.00 ATOM 179 CA ILE 132 5.848 10.093 50.440 1.00 1.00 ATOM 180 CA ALA 133 5.613 13.869 50.737 1.00 1.00 ATOM 181 CA LEU 134 4.497 14.354 47.134 1.00 1.00 ATOM 182 CA TRP 135 1.994 11.521 47.539 1.00 1.00 ATOM 183 CA LYS 136 0.563 12.867 50.796 1.00 1.00 ATOM 184 CA CYS 137 0.395 16.466 49.623 1.00 1.00 ATOM 185 CA MET 138 -1.204 15.937 46.215 1.00 1.00 ATOM 186 CA LEU 139 -2.398 12.388 45.633 1.00 1.00 ATOM 187 CA ALA 140 -3.887 11.657 49.048 1.00 1.00 ATOM 188 CA SER 141 -5.565 15.043 49.554 1.00 1.00 ATOM 189 CA GLU 142 -9.093 14.158 48.528 1.00 1.00 ATOM 190 CA THR 143 -10.226 17.753 48.915 1.00 1.00 ATOM 191 CA ASP 144 -7.613 18.775 46.350 1.00 1.00 ATOM 192 CA ILE 145 -7.617 19.146 42.582 1.00 1.00 ATOM 193 CA CYS 146 -4.767 16.741 41.823 1.00 1.00 ATOM 194 CA ASP 147 -6.668 13.914 43.528 1.00 1.00 ATOM 195 CA GLN 148 -9.658 14.729 41.316 1.00 1.00 ATOM 196 CA GLU 149 -7.640 14.897 38.108 1.00 1.00 ATOM 200 CA VAL 150 -5.550 3.229 39.019 1.00 1.00 ATOM 201 CA LEU 151 -2.866 5.893 38.678 1.00 1.00 ATOM 202 CA LYS 152 -3.185 6.939 42.314 1.00 1.00 ATOM 203 CA SER 153 -3.353 3.303 43.418 1.00 1.00 ATOM 204 CA ILE 154 -0.054 2.548 41.678 1.00 1.00 ATOM 205 CA MET 155 1.639 5.411 43.486 1.00 1.00 ATOM 206 CA ASN 156 0.152 4.338 46.801 1.00 1.00 ATOM 207 CA SER 157 1.525 0.856 46.149 1.00 1.00 ATOM 208 CA VAL 158 4.996 2.218 45.443 1.00 1.00 ATOM 209 CA ILE 159 4.907 4.191 48.685 1.00 1.00 ATOM 210 CA ALA 160 3.577 1.397 50.896 1.00 1.00 ATOM 211 CA LYS 161 5.927 -1.212 49.383 1.00 1.00 TER END 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