From mailer@bialko.llnl.gov Tue Jul 16 19:05:50 2002 Date: Tue, 16 Jul 2002 19:05:44 -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 Tue Jul 16 18:38:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_502146_12205 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149SS389_1 Current information on models submitted in prediction T0149SS389 MODEL_INDEX PIN CODE DATE E-mail T0149SS389_1 PIN_502146_12205 1549-8716-6404 07/16/02 18:38:38 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149SS389_1 PIN_502146_12205 1549-8716-6404 07/16/02 18:38:38 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 SS PFRMAT SS TARGET T0149 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: 318 # Number of residues with nonzero confidence: 318 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0149 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0149.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0149.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0149.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 T0149.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0149 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 T0149.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 105 METHOD METHOD ============================================ METHOD Comments from T0149.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0149 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 T0149.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 105 METHOD METHOD ============================================ METHOD Comments from T0149.t2k.str.rdb METHOD ============================================ METHOD TARGET T0149 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 T0149.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 105 METHOD METHOD ============================================ MODEL 1 M C 0.97 N C 0.89 P C 0.77 I C 0.75 A C 0.53 V E 0.93 T E 0.96 L E 0.97 L E 0.93 T E 0.76 G C 0.66 F C 0.79 L C 0.88 G C 0.88 A C 0.87 G C 0.85 K H 0.80 T H 0.91 T H 0.97 L H 0.97 L H 0.97 R H 0.97 H H 0.97 I H 0.95 L H 0.89 N H 0.69 E C 0.66 Q C 0.88 H C 0.92 G C 0.94 Y C 0.75 K E 0.73 I E 0.92 A E 0.96 V E 0.98 I E 0.97 E E 0.93 N E 0.75 E C 0.51 F C 0.67 G C 0.73 E C 0.62 V C 0.52 S C 0.65 V C 0.64 D C 0.58 D H 0.85 Q H 0.88 L H 0.87 I H 0.79 G H 0.68 D H 0.49 R C 0.70 A C 0.90 T C 0.71 Q E 0.58 I E 0.83 K E 0.88 T E 0.86 L E 0.69 T C 0.57 N C 0.82 G C 0.83 C C 0.66 I C 0.47 C C 0.51 C C 0.60 S C 0.72 R C 0.61 S H 0.56 N H 0.75 E H 0.81 L H 0.90 E H 0.95 D H 0.96 A H 0.96 L H 0.97 L H 0.97 D H 0.96 L H 0.94 L H 0.92 D H 0.85 N H 0.79 L H 0.75 D H 0.73 K H 0.59 G C 0.54 N C 0.73 I C 0.85 Q C 0.91 F C 0.89 D C 0.74 R E 0.97 L E 0.98 V E 0.98 I E 0.97 E E 0.78 C C 0.64 T C 0.80 G C 0.80 M C 0.77 A C 0.77 D C 0.83 P C 0.62 G H 0.67 P H 0.77 I H 0.90 I H 0.91 Q H 0.89 T H 0.86 F H 0.74 F H 0.60 S H 0.46 H C 0.63 E C 0.53 V C 0.57 L C 0.62 C C 0.62 Q C 0.61 R C 0.53 Y C 0.48 L E 0.50 L E 0.46 D C 0.63 G E 0.55 V E 0.90 I E 0.96 A E 0.97 L E 0.97 V E 0.93 D E 0.65 A C 0.55 V C 0.50 H H 0.61 A H 0.49 D C 0.51 E C 0.61 Q C 0.70 M C 0.67 N C 0.60 Q H 0.58 F H 0.74 T H 0.80 I H 0.81 A H 0.83 Q H 0.91 S H 0.89 Q H 0.88 V H 0.83 G H 0.73 Y C 0.46 A C 0.72 D C 0.81 R E 0.93 I E 0.98 L E 0.98 L E 0.95 T E 0.62 K C 0.72 T C 0.64 D C 0.60 V C 0.72 A C 0.80 G C 0.84 E C 0.54 A H 0.61 E H 0.77 K H 0.86 L H 0.91 H H 0.95 E H 0.96 R H 0.96 L H 0.96 A H 0.95 R H 0.88 I H 0.71 N C 0.89 A C 0.90 R C 0.92 A C 0.85 P E 0.55 V E 0.87 Y E 0.90 T E 0.81 V E 0.49 T C 0.78 H C 0.81 G C 0.84 D C 0.77 I C 0.75 D C 0.90 L H 0.82 G H 0.86 L H 0.88 L H 0.76 F H 0.57 N C 0.60 T C 0.68 N C 0.71 G C 0.63 F C 0.61 M C 0.66 L C 0.70 E C 0.71 E C 0.68 N C 0.65 V C 0.59 V C 0.59 S C 0.55 T C 0.57 K C 0.62 P C 0.66 R C 0.69 F C 0.69 H C 0.73 F C 0.74 I C 0.58 A C 0.53 D C 0.50 K C 0.54 Q C 0.63 N C 0.75 D C 0.85 I C 0.67 S C 0.56 S E 0.67 I E 0.84 V E 0.91 V E 0.91 E E 0.80 L C 0.49 D C 0.80 Y C 0.86 P C 0.84 V C 0.78 D C 0.93 I H 0.92 S H 0.95 E H 0.96 V H 0.97 S H 0.97 R H 0.96 V H 0.95 M H 0.94 E H 0.88 N H 0.81 L H 0.77 L H 0.73 L H 0.71 E H 0.63 S C 0.52 A C 0.75 D C 0.81 K C 0.74 L E 0.49 L E 0.77 R E 0.88 Y E 0.90 K E 0.83 G E 0.83 M E 0.92 L E 0.94 W E 0.89 I E 0.68 D C 0.80 G C 0.92 E C 0.86 P C 0.76 N C 0.54 R E 0.76 L E 0.90 L E 0.93 F E 0.91 Q E 0.85 G E 0.72 V E 0.60 Q C 0.47 R C 0.49 L E 0.52 Y E 0.54 S C 0.57 A C 0.66 D C 0.78 W C 0.76 D C 0.75 R C 0.73 P C 0.69 W C 0.71 G C 0.78 D C 0.79 E C 0.85 K C 0.84 P C 0.76 H C 0.76 S C 0.65 T E 0.82 M E 0.95 V E 0.97 F E 0.97 I E 0.89 G E 0.49 I C 0.80 Q C 0.88 L C 0.91 P C 0.96 E H 0.91 E H 0.96 E H 0.97 I H 0.97 R H 0.97 A H 0.95 A H 0.93 F H 0.91 A H 0.86 G H 0.72 L H 0.50 R C 0.69 K C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:46:17 2002 Date: Tue, 30 Jul 2002 04:46:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:18:47 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_315157_17162 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS189_1 Current information on models submitted in prediction T0149TS189 MODEL_INDEX PIN CODE DATE E-mail T0149TS189_1 PIN_315157_17162 5035-2079-5263 07/30/02 04:18:47 casp5@bialko.llnl.gov T0149TS189_2 PIN_280771_17150 5035-2079-5263 07/30/02 04:15:18 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS189_1 PIN_315157_17162 5035-2079-5263 07/30/02 04:18:47 casp5@bialko.llnl.gov T0149TS189_2 PIN_280771_17150 5035-2079-5263 07/30/02 04:15:18 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 T0149 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1J8M_F # Loading PARENT structure: 1j8m (chain: F) # Number of residues in PARENT structure: 295 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 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 V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue H 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue T 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue K 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue N 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue C 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue C 67 # IMPORTANT NOTE! Not complete main chain atoms for residue S 68 # IMPORTANT NOTE! Not complete main chain atoms for residue R 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue D 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue C 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue P 106 # IMPORTANT NOTE! Not complete main chain atoms for residue I 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue F 112 # IMPORTANT NOTE! Not complete main chain atoms for residue S 113 # IMPORTANT NOTE! Not complete main chain atoms for residue H 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue C 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue H 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue L 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue A 178 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue P 181 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # IMPORTANT NOTE! Not complete main chain atoms for residue H 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 189 # IMPORTANT NOTE! Not complete main chain atoms for residue I 190 # IMPORTANT NOTE! Not complete main chain atoms for residue D 191 # IMPORTANT NOTE! Not complete main chain atoms for residue L 192 # IMPORTANT NOTE! Not complete main chain atoms for residue G 193 # IMPORTANT NOTE! Not complete main chain atoms for residue L 194 # IMPORTANT NOTE! Not complete main chain atoms for residue P 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue D 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 237 # IMPORTANT NOTE! Not complete main chain atoms for residue S 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue S 241 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0149 # Total number of residues in target: 318 # Total number of residues in model: 190 # Total number of atoms in model: 190 # Number of atoms with 1.0 occupancy: 190 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 190 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0149 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1J8M_F ATOM 99 CA ALA 5 9.485 35.316 2.720 1.00 1.00 ATOM 100 CA VAL 6 9.832 38.901 1.507 1.00 1.00 ATOM 101 CA THR 7 11.182 41.541 3.907 1.00 1.00 ATOM 102 CA LEU 8 11.009 45.175 2.961 1.00 1.00 ATOM 103 CA LEU 9 13.417 47.415 4.869 1.00 1.00 ATOM 104 CA THR 10 12.371 51.083 5.125 1.00 1.00 ATOM 105 CA GLY 11 13.527 54.126 7.023 1.00 1.00 ATOM 106 CA PHE 12 14.953 57.616 6.913 1.00 1.00 ATOM 107 CA LEU 13 18.291 58.118 5.180 1.00 1.00 ATOM 108 CA GLY 14 21.279 56.799 7.159 1.00 1.00 ATOM 109 CA ALA 15 19.975 54.353 9.809 1.00 1.00 ATOM 110 CA GLY 16 22.801 51.965 9.335 1.00 1.00 ATOM 111 CA LYS 17 20.577 50.524 6.608 1.00 1.00 ATOM 112 CA THR 18 22.409 49.027 3.718 1.00 1.00 ATOM 113 CA THR 19 24.643 47.475 6.304 1.00 1.00 ATOM 114 CA LEU 20 21.493 46.453 8.105 1.00 1.00 ATOM 115 CA LEU 21 20.253 44.752 4.890 1.00 1.00 ATOM 116 CA ARG 22 23.547 42.787 4.559 1.00 1.00 ATOM 117 CA HIS 23 23.538 41.976 8.291 1.00 1.00 ATOM 118 CA ILE 24 19.968 40.692 8.056 1.00 1.00 ATOM 119 CA LEU 25 20.832 38.571 5.014 1.00 1.00 ATOM 120 CA ASN 26 23.900 37.177 6.835 1.00 1.00 ATOM 121 CA GLU 27 21.777 36.292 9.871 1.00 1.00 ATOM 124 CA GLN 28 23.679 31.417 8.773 1.00 1.00 ATOM 125 CA HIS 29 20.285 29.959 9.698 1.00 1.00 ATOM 126 CA GLY 30 20.564 27.868 6.491 1.00 1.00 ATOM 127 CA TYR 31 18.228 29.931 4.323 1.00 1.00 ATOM 128 CA LYS 32 18.668 30.838 0.722 1.00 1.00 ATOM 129 CA ILE 33 18.486 34.614 0.662 1.00 1.00 ATOM 130 CA ALA 34 18.480 37.211 -2.119 1.00 1.00 ATOM 131 CA VAL 35 19.147 40.950 -1.574 1.00 1.00 ATOM 132 CA ILE 36 17.451 43.748 -3.583 1.00 1.00 ATOM 133 CA GLU 37 19.305 47.040 -3.586 1.00 1.00 ATOM 134 CA ASN 38 16.471 49.611 -4.091 1.00 1.00 ATOM 135 CA GLU 39 17.948 52.527 -2.120 1.00 1.00 ATOM 136 CA PHE 40 18.429 54.833 -5.103 1.00 1.00 ATOM 137 CA GLU 42 18.834 58.272 -3.583 1.00 1.00 ATOM 138 CA VAL 43 22.256 57.375 -2.246 1.00 1.00 ATOM 139 CA SER 44 24.273 56.281 -5.309 1.00 1.00 ATOM 140 CA VAL 45 26.841 54.523 -3.155 1.00 1.00 ATOM 141 CA ASP 46 24.130 52.353 -1.478 1.00 1.00 ATOM 142 CA ASP 47 24.026 49.784 -4.339 1.00 1.00 ATOM 143 CA GLN 48 27.802 49.338 -4.716 1.00 1.00 ATOM 144 CA LEU 49 28.039 49.033 -0.950 1.00 1.00 ATOM 145 CA ILE 50 25.241 46.366 -1.007 1.00 1.00 ATOM 146 CA GLY 51 26.951 44.512 -3.870 1.00 1.00 ATOM 147 CA ASP 52 30.180 44.476 -1.737 1.00 1.00 ATOM 148 CA ARG 53 28.432 43.086 1.347 1.00 1.00 ATOM 149 CA ALA 54 26.650 40.408 -0.732 1.00 1.00 ATOM 150 CA THR 55 29.800 39.289 -2.486 1.00 1.00 ATOM 151 CA GLN 56 31.594 39.180 0.858 1.00 1.00 ATOM 152 CA ILE 57 28.855 37.094 2.503 1.00 1.00 ATOM 153 CA LYS 58 27.954 34.985 -0.542 1.00 1.00 ATOM 154 CA THR 59 24.366 36.237 -1.040 1.00 1.00 ATOM 155 CA LEU 60 23.229 37.448 -4.440 1.00 1.00 ATOM 156 CA THR 61 22.344 41.091 -4.915 1.00 1.00 ATOM 157 CA ASN 62 19.958 42.380 -7.557 1.00 1.00 ATOM 158 CA GLY 63 20.451 46.057 -8.470 1.00 1.00 ATOM 159 CA CYS 64 20.062 48.422 -11.481 1.00 1.00 ATOM 160 CA ILE 65 22.954 50.844 -11.645 1.00 1.00 ATOM 161 CA CYS 66 21.813 54.472 -11.974 1.00 1.00 ATOM 162 CA CYS 67 18.106 53.550 -11.978 1.00 1.00 ATOM 163 CA SER 68 15.830 55.837 -9.931 1.00 1.00 ATOM 164 CA ARG 69 12.402 54.106 -10.108 1.00 1.00 ATOM 165 CA SER 70 12.724 52.374 -6.685 1.00 1.00 ATOM 166 CA ASN 71 9.344 50.720 -7.347 1.00 1.00 ATOM 167 CA GLU 72 10.496 49.179 -10.649 1.00 1.00 ATOM 168 CA LEU 73 13.799 47.956 -9.175 1.00 1.00 ATOM 169 CA GLU 74 12.059 46.334 -6.143 1.00 1.00 ATOM 170 CA ASP 75 9.487 44.751 -8.388 1.00 1.00 ATOM 171 CA ALA 76 12.009 43.380 -10.925 1.00 1.00 ATOM 172 CA LEU 77 14.396 42.221 -8.161 1.00 1.00 ATOM 173 CA LEU 78 11.683 40.450 -6.154 1.00 1.00 ATOM 174 CA ASP 79 10.295 38.765 -9.285 1.00 1.00 ATOM 175 CA LEU 80 13.798 37.558 -10.277 1.00 1.00 ATOM 176 CA LEU 81 14.428 36.173 -6.782 1.00 1.00 ATOM 177 CA ASP 82 11.034 34.539 -6.578 1.00 1.00 ATOM 178 CA ASN 83 11.840 32.873 -9.895 1.00 1.00 ATOM 179 CA ILE 89 15.154 31.608 -8.538 1.00 1.00 ATOM 180 CA GLN 90 13.085 30.114 -5.733 1.00 1.00 ATOM 181 CA PHE 91 14.963 32.061 -3.052 1.00 1.00 ATOM 182 CA ASP 92 13.508 31.483 0.461 1.00 1.00 ATOM 183 CA ARG 93 14.193 34.901 2.075 1.00 1.00 ATOM 184 CA LEU 94 14.160 38.085 -0.030 1.00 1.00 ATOM 185 CA VAL 95 15.335 41.320 1.512 1.00 1.00 ATOM 186 CA ILE 96 14.520 44.594 -0.201 1.00 1.00 ATOM 187 CA GLU 97 16.542 47.602 0.836 1.00 1.00 ATOM 188 CA CYS 98 14.728 50.896 0.474 1.00 1.00 ATOM 189 CA THR 99 15.258 54.235 2.205 1.00 1.00 ATOM 190 CA GLY 100 12.913 57.249 1.873 1.00 1.00 ATOM 191 CA MET 101 13.168 61.031 0.940 1.00 1.00 ATOM 192 CA ALA 102 12.321 62.403 4.400 1.00 1.00 ATOM 193 CA ASP 103 13.800 62.821 7.833 1.00 1.00 ATOM 194 CA PRO 104 12.438 62.684 11.380 1.00 1.00 ATOM 195 CA GLY 105 9.796 65.399 11.857 1.00 1.00 ATOM 196 CA PRO 106 8.345 64.559 8.386 1.00 1.00 ATOM 197 CA ILE 107 6.724 61.291 9.357 1.00 1.00 ATOM 198 CA ILE 108 3.410 61.584 7.476 1.00 1.00 ATOM 199 CA GLN 109 5.176 62.099 4.145 1.00 1.00 ATOM 200 CA THR 110 7.775 59.444 4.933 1.00 1.00 ATOM 201 CA PHE 111 5.050 56.929 5.561 1.00 1.00 ATOM 202 CA PHE 112 2.873 57.990 2.599 1.00 1.00 ATOM 203 CA SER 113 5.938 57.608 0.351 1.00 1.00 ATOM 204 CA HIS 114 6.550 54.003 1.501 1.00 1.00 ATOM 205 CA GLU 115 3.109 53.058 0.148 1.00 1.00 ATOM 206 CA VAL 116 3.716 52.492 -3.537 1.00 1.00 ATOM 207 CA LEU 117 6.789 50.365 -3.008 1.00 1.00 ATOM 208 CA CYS 118 4.797 48.213 -0.511 1.00 1.00 ATOM 209 CA GLN 119 1.819 47.728 -2.801 1.00 1.00 ATOM 210 CA ARG 120 4.206 46.780 -5.592 1.00 1.00 ATOM 211 CA TYR 121 5.985 44.074 -3.581 1.00 1.00 ATOM 212 CA LEU 122 3.390 43.011 -1.046 1.00 1.00 ATOM 213 CA LEU 123 6.033 42.013 1.456 1.00 1.00 ATOM 214 CA ASP 124 5.297 39.603 4.283 1.00 1.00 ATOM 215 CA GLY 125 7.182 41.913 6.686 1.00 1.00 ATOM 216 CA VAL 126 8.056 45.606 6.687 1.00 1.00 ATOM 217 CA ILE 127 10.973 46.529 8.966 1.00 1.00 ATOM 218 CA ALA 128 11.701 50.125 9.919 1.00 1.00 ATOM 219 CA LEU 129 15.429 50.649 10.590 1.00 1.00 ATOM 220 CA VAL 130 16.129 53.339 13.179 1.00 1.00 ATOM 221 CA ASP 131 19.536 54.651 14.048 1.00 1.00 ATOM 222 CA ALA 132 19.792 54.752 17.852 1.00 1.00 ATOM 223 CA VAL 133 21.434 58.207 17.868 1.00 1.00 ATOM 224 CA HIS 134 18.027 59.705 17.097 1.00 1.00 ATOM 225 CA ALA 135 17.119 58.897 20.777 1.00 1.00 ATOM 226 CA ASP 136 13.613 59.705 21.947 1.00 1.00 ATOM 227 CA GLU 137 12.839 61.512 18.707 1.00 1.00 ATOM 228 CA GLN 138 12.257 58.079 17.114 1.00 1.00 ATOM 229 CA MET 139 8.896 58.051 18.918 1.00 1.00 ATOM 230 CA ASN 140 6.735 59.841 16.314 1.00 1.00 ATOM 231 CA GLN 141 7.907 57.814 13.347 1.00 1.00 ATOM 232 CA PHE 142 7.790 54.502 15.196 1.00 1.00 ATOM 233 CA THR 143 4.288 55.213 16.494 1.00 1.00 ATOM 234 CA ILE 144 2.897 56.128 13.123 1.00 1.00 ATOM 235 CA ALA 145 4.855 53.261 11.423 1.00 1.00 ATOM 236 CA GLN 146 3.513 50.658 13.799 1.00 1.00 ATOM 237 CA SER 147 -0.131 51.670 13.540 1.00 1.00 ATOM 238 CA GLN 148 0.020 51.715 9.717 1.00 1.00 ATOM 239 CA VAL 149 0.593 47.978 9.291 1.00 1.00 ATOM 240 CA GLY 150 -0.087 44.708 10.957 1.00 1.00 ATOM 241 CA TYR 151 3.228 43.359 9.654 1.00 1.00 ATOM 242 CA ALA 152 5.647 46.040 10.835 1.00 1.00 ATOM 243 CA ARG 154 8.744 45.403 12.986 1.00 1.00 ATOM 244 CA ILE 155 11.658 47.615 13.975 1.00 1.00 ATOM 245 CA LEU 156 15.389 47.246 13.999 1.00 1.00 ATOM 246 CA LEU 157 17.450 49.693 16.123 1.00 1.00 ATOM 247 CA THR 158 20.995 49.994 14.774 1.00 1.00 ATOM 248 CA LYS 159 24.222 51.463 16.001 1.00 1.00 ATOM 249 CA THR 160 23.448 51.001 19.643 1.00 1.00 ATOM 250 CA ASP 161 27.203 51.264 20.284 1.00 1.00 ATOM 251 CA VAL 162 27.784 54.589 18.572 1.00 1.00 ATOM 252 CA ALA 163 25.542 56.774 20.719 1.00 1.00 ATOM 253 CA GLY 164 24.749 57.697 24.305 1.00 1.00 ATOM 254 CA GLU 165 21.056 57.815 23.341 1.00 1.00 ATOM 255 CA ALA 166 20.174 54.156 22.660 1.00 1.00 ATOM 256 CA GLU 167 18.134 54.027 25.902 1.00 1.00 ATOM 257 CA LYS 168 16.066 56.983 24.600 1.00 1.00 ATOM 258 CA LEU 169 15.556 55.258 21.278 1.00 1.00 ATOM 259 CA HIS 170 14.641 51.881 22.781 1.00 1.00 ATOM 260 CA GLU 171 12.345 53.395 25.405 1.00 1.00 ATOM 261 CA ARG 172 10.674 55.643 22.861 1.00 1.00 ATOM 262 CA LEU 173 10.063 52.736 20.484 1.00 1.00 ATOM 263 CA ALA 174 8.900 50.529 23.284 1.00 1.00 ATOM 264 CA ARG 175 6.360 53.255 24.352 1.00 1.00 ATOM 265 CA ILE 176 4.601 52.601 20.983 1.00 1.00 ATOM 266 CA ASN 177 4.332 48.843 21.674 1.00 1.00 ATOM 267 CA ALA 178 6.049 48.044 18.354 1.00 1.00 ATOM 268 CA ARG 179 8.187 44.934 18.014 1.00 1.00 ATOM 269 CA ALA 180 11.935 45.543 18.131 1.00 1.00 ATOM 270 CA PRO 181 13.074 42.325 16.579 1.00 1.00 ATOM 271 CA VAL 182 16.788 42.962 16.298 1.00 1.00 ATOM 272 CA TYR 183 19.327 45.469 17.431 1.00 1.00 ATOM 273 CA THR 184 22.518 46.351 15.550 1.00 1.00 ATOM 274 CA VAL 185 25.370 46.513 18.035 1.00 1.00 ATOM 275 CA THR 186 28.537 47.217 15.978 1.00 1.00 ATOM 276 CA HIS 187 29.651 47.659 12.382 1.00 1.00 ATOM 277 CA ASP 189 30.783 44.012 11.860 1.00 1.00 ATOM 278 CA ILE 190 28.606 41.867 9.588 1.00 1.00 ATOM 279 CA ASP 191 27.612 39.446 12.346 1.00 1.00 ATOM 280 CA LEU 192 26.707 42.175 14.860 1.00 1.00 ATOM 281 CA GLY 193 22.959 41.924 14.662 1.00 1.00 ATOM 282 CA LEU 194 21.227 40.305 17.616 1.00 1.00 ATOM 283 CA PRO 234 17.714 39.149 18.365 1.00 1.00 ATOM 284 CA VAL 235 16.283 41.602 20.885 1.00 1.00 ATOM 285 CA ASP 236 14.485 40.826 24.101 1.00 1.00 ATOM 286 CA ILE 237 14.381 43.639 26.705 1.00 1.00 ATOM 287 CA SER 238 14.677 41.137 29.580 1.00 1.00 ATOM 288 CA GLU 239 17.828 39.644 28.057 1.00 1.00 ATOM 289 CA VAL 240 19.192 43.012 27.043 1.00 1.00 ATOM 290 CA SER 241 18.798 44.085 30.705 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 30 04:43:08 2002 Date: Tue, 30 Jul 2002 04:43:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0149 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 Tue Jul 30 04:15:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_280771_17150 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0149TS189_2 Current information on models submitted in prediction T0149TS189 MODEL_INDEX PIN CODE DATE E-mail T0149TS189_2 PIN_280771_17150 5035-2079-5263 07/30/02 04:15:18 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 T0149 MODEL_INDEX PIN CODE DATE E-mail T0149TS189_2 PIN_280771_17150 5035-2079-5263 07/30/02 04:15:18 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 T0149 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1JPN_A # Loading PARENT structure: 1jpn (chain: A) # Number of residues in PARENT structure: 296 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue I 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue V 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue L 8 # IMPORTANT NOTE! Not complete main chain atoms for residue L 9 # IMPORTANT NOTE! Not complete main chain atoms for residue T 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue F 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 13 # IMPORTANT NOTE! Not complete main chain atoms for residue G 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue G 16 # IMPORTANT NOTE! Not complete main chain atoms for residue K 17 # IMPORTANT NOTE! Not complete main chain atoms for residue T 18 # IMPORTANT NOTE! Not complete main chain atoms for residue T 19 # IMPORTANT NOTE! Not complete main chain atoms for residue L 20 # IMPORTANT NOTE! Not complete main chain atoms for residue L 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue H 23 # IMPORTANT NOTE! Not complete main chain atoms for residue I 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 28 # IMPORTANT NOTE! Not complete main chain atoms for residue H 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue A 34 # IMPORTANT NOTE! Not complete main chain atoms for residue V 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue E 37 # IMPORTANT NOTE! Not complete main chain atoms for residue N 38 # IMPORTANT NOTE! Not complete main chain atoms for residue E 39 # IMPORTANT NOTE! Not complete main chain atoms for residue F 40 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue S 44 # IMPORTANT NOTE! Not complete main chain atoms for residue V 45 # IMPORTANT NOTE! Not complete main chain atoms for residue D 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 48 # IMPORTANT NOTE! Not complete main chain atoms for residue L 49 # IMPORTANT NOTE! Not complete main chain atoms for residue I 50 # IMPORTANT NOTE! Not complete main chain atoms for residue G 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue A 54 # IMPORTANT NOTE! Not complete main chain atoms for residue T 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue I 57 # IMPORTANT NOTE! Not complete main chain atoms for residue K 58 # IMPORTANT NOTE! Not complete main chain atoms for residue T 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue N 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue C 64 # IMPORTANT NOTE! Not complete main chain atoms for residue I 65 # IMPORTANT NOTE! Not complete main chain atoms for residue C 66 # IMPORTANT NOTE! Not complete main chain atoms for residue N 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue L 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 74 # IMPORTANT NOTE! Not complete main chain atoms for residue D 75 # IMPORTANT NOTE! Not complete main chain atoms for residue A 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue L 78 # IMPORTANT NOTE! Not complete main chain atoms for residue D 79 # IMPORTANT NOTE! Not complete main chain atoms for residue L 80 # IMPORTANT NOTE! Not complete main chain atoms for residue L 81 # IMPORTANT NOTE! Not complete main chain atoms for residue D 82 # IMPORTANT NOTE! Not complete main chain atoms for residue N 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 89 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 90 # IMPORTANT NOTE! Not complete main chain atoms for residue F 91 # IMPORTANT NOTE! Not complete main chain atoms for residue D 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue V 95 # IMPORTANT NOTE! Not complete main chain atoms for residue I 96 # IMPORTANT NOTE! Not complete main chain atoms for residue E 97 # IMPORTANT NOTE! Not complete main chain atoms for residue C 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue G 100 # IMPORTANT NOTE! Not complete main chain atoms for residue M 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue P 104 # IMPORTANT NOTE! Not complete main chain atoms for residue G 105 # IMPORTANT NOTE! Not complete main chain atoms for residue P 106 # IMPORTANT NOTE! Not complete main chain atoms for residue I 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 109 # IMPORTANT NOTE! Not complete main chain atoms for residue T 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue V 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue C 118 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue G 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue I 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue D 131 # IMPORTANT NOTE! Not complete main chain atoms for residue A 132 # IMPORTANT NOTE! Not complete main chain atoms for residue V 133 # IMPORTANT NOTE! Not complete main chain atoms for residue H 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue D 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 138 # IMPORTANT NOTE! Not complete main chain atoms for residue M 139 # IMPORTANT NOTE! Not complete main chain atoms for residue N 140 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 141 # IMPORTANT NOTE! Not complete main chain atoms for residue F 142 # IMPORTANT NOTE! Not complete main chain atoms for residue T 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 146 # IMPORTANT NOTE! Not complete main chain atoms for residue S 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 148 # IMPORTANT NOTE! Not complete main chain atoms for residue V 149 # IMPORTANT NOTE! Not complete main chain atoms for residue G 150 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 154 # IMPORTANT NOTE! Not complete main chain atoms for residue I 155 # IMPORTANT NOTE! Not complete main chain atoms for residue L 156 # IMPORTANT NOTE! Not complete main chain atoms for residue L 157 # IMPORTANT NOTE! Not complete main chain atoms for residue T 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue T 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue A 163 # IMPORTANT NOTE! Not complete main chain atoms for residue G 164 # IMPORTANT NOTE! Not complete main chain atoms for residue E 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue H 170 # IMPORTANT NOTE! Not complete main chain atoms for residue E 171 # IMPORTANT NOTE! Not complete main chain atoms for residue R 172 # IMPORTANT NOTE! Not complete main chain atoms for residue L 173 # IMPORTANT NOTE! Not complete main chain atoms for residue A 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue I 176 # IMPORTANT NOTE! Not complete main chain atoms for residue N 177 # IMPORTANT NOTE! Not complete main chain atoms for residue R 179 # IMPORTANT NOTE! Not complete main chain atoms for residue V 182 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 183 # IMPORTANT NOTE! Not complete main chain atoms for residue T 184 # IMPORTANT NOTE! Not complete main chain atoms for residue V 185 # IMPORTANT NOTE! Not complete main chain atoms for residue T 186 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0149 # Total number of residues in target: 318 # Total number of residues in model: 168 # Total number of atoms in model: 168 # Number of atoms with 1.0 occupancy: 168 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 168 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0149 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JPN_A ATOM 96 CA ASN 2 60.989 13.506 -4.425 1.00 1.00 ATOM 97 CA PRO 3 63.535 12.426 -7.041 1.00 1.00 ATOM 98 CA ILE 4 65.738 15.496 -6.686 1.00 1.00 ATOM 99 CA ALA 5 65.571 17.902 -3.755 1.00 1.00 ATOM 100 CA VAL 6 67.229 21.309 -3.523 1.00 1.00 ATOM 101 CA THR 7 66.294 23.231 -0.389 1.00 1.00 ATOM 102 CA LEU 8 67.294 26.696 0.751 1.00 1.00 ATOM 103 CA LEU 9 67.880 27.490 4.407 1.00 1.00 ATOM 104 CA THR 10 67.340 31.183 5.100 1.00 1.00 ATOM 105 CA GLY 11 67.255 33.332 8.215 1.00 1.00 ATOM 106 CA PHE 12 69.214 35.764 10.364 1.00 1.00 ATOM 107 CA LEU 13 72.512 35.178 12.137 1.00 1.00 ATOM 108 CA GLY 14 72.117 33.567 15.548 1.00 1.00 ATOM 109 CA ALA 15 68.894 31.922 14.392 1.00 1.00 ATOM 110 CA GLY 16 70.585 28.527 14.406 1.00 1.00 ATOM 111 CA LYS 17 70.424 28.348 10.611 1.00 1.00 ATOM 112 CA THR 18 73.870 26.850 9.958 1.00 1.00 ATOM 113 CA THR 19 73.734 24.324 12.791 1.00 1.00 ATOM 114 CA LEU 20 70.224 23.394 11.642 1.00 1.00 ATOM 115 CA LEU 21 71.540 22.781 8.124 1.00 1.00 ATOM 116 CA ARG 22 73.970 20.166 9.445 1.00 1.00 ATOM 117 CA HIS 23 71.368 18.682 11.793 1.00 1.00 ATOM 118 CA ILE 24 68.909 18.323 8.911 1.00 1.00 ATOM 119 CA LEU 25 71.586 16.658 6.781 1.00 1.00 ATOM 120 CA ASN 26 72.295 14.165 9.562 1.00 1.00 ATOM 121 CA GLU 27 68.597 13.486 10.121 1.00 1.00 ATOM 124 CA GLN 28 69.941 8.529 8.803 1.00 1.00 ATOM 125 CA HIS 29 66.715 8.286 6.823 1.00 1.00 ATOM 126 CA GLY 30 68.632 6.831 3.897 1.00 1.00 ATOM 127 CA TYR 31 69.138 10.047 1.944 1.00 1.00 ATOM 128 CA LYS 32 72.412 11.213 0.390 1.00 1.00 ATOM 129 CA ILE 33 72.617 14.916 1.347 1.00 1.00 ATOM 130 CA ALA 34 75.029 17.615 0.241 1.00 1.00 ATOM 131 CA VAL 35 75.605 20.728 2.338 1.00 1.00 ATOM 132 CA ILE 36 76.281 23.955 0.459 1.00 1.00 ATOM 133 CA GLU 37 77.909 26.883 2.262 1.00 1.00 ATOM 134 CA ASN 38 76.553 29.692 0.071 1.00 1.00 ATOM 135 CA GLU 39 77.884 32.783 1.876 1.00 1.00 ATOM 136 CA PHE 40 79.812 34.492 -0.934 1.00 1.00 ATOM 137 CA GLU 42 81.180 37.181 1.377 1.00 1.00 ATOM 138 CA VAL 43 82.268 35.531 4.627 1.00 1.00 ATOM 139 CA SER 44 84.812 32.671 4.464 1.00 1.00 ATOM 140 CA VAL 45 84.366 32.084 8.205 1.00 1.00 ATOM 141 CA ASP 46 80.689 31.279 7.684 1.00 1.00 ATOM 142 CA ASP 47 81.599 28.722 5.014 1.00 1.00 ATOM 143 CA GLN 48 84.316 27.125 7.115 1.00 1.00 ATOM 144 CA LEU 49 81.882 26.728 10.014 1.00 1.00 ATOM 145 CA ILE 50 79.595 24.552 7.890 1.00 1.00 ATOM 146 CA GLY 51 82.560 22.591 6.544 1.00 1.00 ATOM 147 CA ASP 52 83.542 21.521 10.058 1.00 1.00 ATOM 148 CA ARG 53 79.954 20.749 11.069 1.00 1.00 ATOM 149 CA ALA 54 79.501 18.691 7.921 1.00 1.00 ATOM 154 CA THR 55 78.082 14.802 5.239 1.00 1.00 ATOM 155 CA GLN 56 79.866 16.359 2.210 1.00 1.00 ATOM 156 CA ILE 57 80.108 20.152 2.039 1.00 1.00 ATOM 157 CA LYS 58 80.525 22.357 -1.031 1.00 1.00 ATOM 158 CA THR 59 81.801 25.850 -0.233 1.00 1.00 ATOM 159 CA LEU 60 81.161 28.647 -2.718 1.00 1.00 ATOM 160 CA THR 61 83.966 31.053 -3.608 1.00 1.00 ATOM 161 CA ASN 62 84.193 34.725 -2.668 1.00 1.00 ATOM 162 CA GLY 63 81.809 36.628 -4.923 1.00 1.00 ATOM 163 CA CYS 64 80.976 33.512 -6.933 1.00 1.00 ATOM 164 CA ILE 65 78.102 34.049 -9.367 1.00 1.00 ATOM 165 CA CYS 66 74.845 32.082 -8.917 1.00 1.00 ATOM 166 CA ASN 71 75.425 30.495 -12.334 1.00 1.00 ATOM 167 CA GLU 72 78.858 29.223 -11.291 1.00 1.00 ATOM 168 CA LEU 73 77.449 27.979 -7.994 1.00 1.00 ATOM 169 CA GLU 74 74.739 26.073 -9.868 1.00 1.00 ATOM 170 CA ASP 75 77.253 24.404 -12.189 1.00 1.00 ATOM 171 CA ALA 76 79.553 23.240 -9.391 1.00 1.00 ATOM 172 CA LEU 77 76.650 22.080 -7.222 1.00 1.00 ATOM 173 CA LEU 78 75.121 20.080 -10.082 1.00 1.00 ATOM 174 CA ASP 79 78.471 18.498 -10.930 1.00 1.00 ATOM 175 CA LEU 80 79.278 17.484 -7.362 1.00 1.00 ATOM 176 CA LEU 81 75.730 16.202 -6.823 1.00 1.00 ATOM 177 CA ASP 82 75.982 14.039 -9.945 1.00 1.00 ATOM 178 CA ASN 83 79.463 12.676 -9.228 1.00 1.00 ATOM 179 CA ILE 89 78.517 11.782 -5.656 1.00 1.00 ATOM 180 CA GLN 90 74.896 10.773 -6.298 1.00 1.00 ATOM 181 CA PHE 91 73.459 13.322 -3.848 1.00 1.00 ATOM 182 CA ASP 92 69.655 13.375 -3.685 1.00 1.00 ATOM 183 CA ARG 93 69.167 16.126 -1.096 1.00 1.00 ATOM 184 CA LEU 94 70.917 19.468 -1.507 1.00 1.00 ATOM 185 CA VAL 95 70.728 21.793 1.490 1.00 1.00 ATOM 186 CA ILE 96 71.834 25.327 0.647 1.00 1.00 ATOM 187 CA GLU 97 72.817 27.333 3.718 1.00 1.00 ATOM 188 CA CYS 98 72.388 30.954 2.609 1.00 1.00 ATOM 189 CA THR 99 74.191 33.915 4.185 1.00 1.00 ATOM 190 CA GLY 100 73.093 34.906 7.670 1.00 1.00 ATOM 191 CA MET 101 73.188 38.507 8.868 1.00 1.00 ATOM 192 CA ALA 102 72.196 40.209 12.121 1.00 1.00 ATOM 193 CA ASP 103 69.530 42.231 10.298 1.00 1.00 ATOM 194 CA PRO 104 67.635 42.029 7.012 1.00 1.00 ATOM 196 CA GLY 105 68.457 44.760 1.210 1.00 1.00 ATOM 197 CA PRO 106 71.492 43.851 -0.927 1.00 1.00 ATOM 198 CA ILE 107 71.458 40.365 0.604 1.00 1.00 ATOM 199 CA ILE 108 67.735 39.884 -0.026 1.00 1.00 ATOM 200 CA GLN 109 68.376 40.722 -3.661 1.00 1.00 ATOM 201 CA THR 110 71.138 38.127 -3.794 1.00 1.00 ATOM 202 CA PHE 111 68.973 35.480 -2.123 1.00 1.00 ATOM 203 CA GLU 115 66.133 36.216 -4.535 1.00 1.00 ATOM 204 CA VAL 116 68.494 35.926 -7.509 1.00 1.00 ATOM 205 CA LEU 117 70.033 32.693 -6.215 1.00 1.00 ATOM 206 CA CYS 118 66.524 31.277 -5.814 1.00 1.00 ATOM 207 CA GLN 119 65.785 32.144 -9.437 1.00 1.00 ATOM 208 CA ARG 120 68.931 30.420 -10.686 1.00 1.00 ATOM 209 CA TYR 121 68.876 27.363 -8.407 1.00 1.00 ATOM 210 CA LEU 122 65.091 27.009 -8.260 1.00 1.00 ATOM 211 CA LEU 123 64.784 25.323 -4.821 1.00 1.00 ATOM 212 CA ASP 124 61.808 23.055 -4.109 1.00 1.00 ATOM 213 CA GLY 125 61.701 24.353 -0.541 1.00 1.00 ATOM 214 CA VAL 126 62.812 27.488 1.266 1.00 1.00 ATOM 215 CA ILE 127 63.039 26.761 4.976 1.00 1.00 ATOM 216 CA ALA 128 63.160 29.815 7.214 1.00 1.00 ATOM 217 CA LEU 129 65.035 29.142 10.453 1.00 1.00 ATOM 218 CA VAL 130 63.828 31.197 13.408 1.00 1.00 ATOM 219 CA ASP 131 65.081 31.547 16.976 1.00 1.00 ATOM 220 CA ALA 132 61.862 30.869 18.899 1.00 1.00 ATOM 221 CA VAL 133 63.220 32.981 21.759 1.00 1.00 ATOM 222 CA HIS 134 62.935 36.141 19.653 1.00 1.00 ATOM 223 CA ALA 135 59.170 36.173 20.094 1.00 1.00 ATOM 224 CA ASP 136 56.979 38.368 17.894 1.00 1.00 ATOM 225 CA GLU 137 60.096 39.649 16.129 1.00 1.00 ATOM 226 CA GLN 138 60.399 36.199 14.551 1.00 1.00 ATOM 227 CA MET 139 57.011 36.665 12.891 1.00 1.00 ATOM 228 CA ASN 140 58.263 39.984 11.515 1.00 1.00 ATOM 229 CA GLN 141 61.377 38.295 10.149 1.00 1.00 ATOM 230 CA PHE 142 59.121 35.583 8.732 1.00 1.00 ATOM 231 CA THR 143 57.082 38.245 6.940 1.00 1.00 ATOM 232 CA ILE 144 60.139 40.007 5.501 1.00 1.00 ATOM 233 CA ALA 145 61.713 36.802 4.173 1.00 1.00 ATOM 234 CA GLN 146 58.480 35.578 2.587 1.00 1.00 ATOM 235 CA SER 147 57.779 38.958 0.994 1.00 1.00 ATOM 236 CA GLN 148 61.294 39.511 -0.367 1.00 1.00 ATOM 237 CA VAL 149 62.362 35.909 -1.032 1.00 1.00 ATOM 238 CA GLY 150 59.471 33.494 -0.538 1.00 1.00 ATOM 239 CA TYR 151 59.330 30.846 2.190 1.00 1.00 ATOM 240 CA ALA 152 57.665 27.419 2.148 1.00 1.00 ATOM 241 CA ARG 154 58.194 26.199 5.696 1.00 1.00 ATOM 242 CA ILE 155 59.610 27.036 9.110 1.00 1.00 ATOM 243 CA LEU 156 62.142 25.613 11.535 1.00 1.00 ATOM 244 CA LEU 157 61.870 26.914 15.096 1.00 1.00 ATOM 245 CA THR 158 65.086 26.585 17.088 1.00 1.00 ATOM 246 CA LYS 159 65.941 27.011 20.766 1.00 1.00 ATOM 247 CA THR 160 62.489 25.777 21.771 1.00 1.00 ATOM 248 CA ASP 161 64.349 24.589 24.876 1.00 1.00 ATOM 249 CA VAL 162 65.399 28.134 25.722 1.00 1.00 ATOM 250 CA ALA 163 63.727 30.316 28.335 1.00 1.00 ATOM 251 CA GLY 164 61.003 32.115 26.381 1.00 1.00 ATOM 252 CA GLU 165 57.242 32.693 26.366 1.00 1.00 ATOM 253 CA ALA 166 56.447 30.941 23.090 1.00 1.00 ATOM 254 CA GLU 167 53.559 33.191 22.110 1.00 1.00 ATOM 256 CA LYS 168 55.489 30.009 18.104 1.00 1.00 ATOM 257 CA LEU 169 51.809 29.440 18.886 1.00 1.00 ATOM 258 CA HIS 170 50.855 32.097 16.328 1.00 1.00 ATOM 259 CA GLU 171 53.210 30.966 13.540 1.00 1.00 ATOM 260 CA ARG 172 50.518 29.039 11.637 1.00 1.00 ATOM 261 CA LEU 173 47.798 31.679 12.033 1.00 1.00 ATOM 262 CA ALA 174 50.103 34.575 11.113 1.00 1.00 ATOM 263 CA ARG 175 52.552 33.204 8.528 1.00 1.00 ATOM 264 CA ILE 176 50.403 30.461 7.051 1.00 1.00 ATOM 265 CA ASN 177 53.599 28.414 6.864 1.00 1.00 ATOM 266 CA ARG 179 54.012 24.934 8.391 1.00 1.00 ATOM 267 CA VAL 182 56.557 24.259 11.126 1.00 1.00 ATOM 268 CA TYR 183 58.524 21.285 9.793 1.00 1.00 ATOM 269 CA THR 184 61.226 20.906 12.446 1.00 1.00 ATOM 270 CA VAL 185 62.014 22.204 15.922 1.00 1.00 ATOM 271 CA THR 186 65.377 22.618 17.615 1.00 1.00 TER END ################################ # # # END # # # ################################