From mailer@bialko.llnl.gov Tue Aug 20 11:10:18 2002 Date: Tue, 20 Aug 2002 11:10:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0181 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 Aug 20 10:42:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_553712_28723 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0181TS189_1 Current information on models submitted in prediction T0181TS189 MODEL_INDEX PIN CODE DATE E-mail T0181TS189_1 PIN_553712_28723 5035-2079-5263 08/20/02 10:42:08 casp5@bialko.llnl.gov T0181TS189_3 PIN_488494_28705 5035-2079-5263 08/20/02 10:35:56 casp5@bialko.llnl.gov T0181TS189_2 PIN_482653_28702 5035-2079-5263 08/20/02 10:35:03 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 T0181 MODEL_INDEX PIN CODE DATE E-mail T0181TS189_1 PIN_553712_28723 5035-2079-5263 08/20/02 10:42:08 casp5@bialko.llnl.gov T0181TS189_2 PIN_482653_28702 5035-2079-5263 08/20/02 10:35:03 casp5@bialko.llnl.gov T0181TS189_3 PIN_488494_28705 5035-2079-5263 08/20/02 10:35:56 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 T0181 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1YAC_A # Loading PARENT structure: 1yac (chain: A) # Number of residues in PARENT structure: 204 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue V 18 # IMPORTANT NOTE! Not complete main chain atoms for residue F 19 # IMPORTANT NOTE! Not complete main chain atoms for residue A 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue S 22 # IMPORTANT NOTE! Not complete main chain atoms for residue E 23 # IMPORTANT NOTE! Not complete main chain atoms for residue E 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue V 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue V 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue N 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0181 # Total number of residues in target: 111 # Total number of residues in model: 54 # Total number of atoms in model: 54 # Number of atoms with 1.0 occupancy: 54 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 54 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0181 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1YAC_A ATOM 106 CA THR 14 32.992 -19.302 -4.505 1.00 1.00 ATOM 107 CA ASP 15 33.178 -17.562 -1.102 1.00 1.00 ATOM 108 CA LEU 16 35.239 -18.931 1.769 1.00 1.00 ATOM 109 CA ILE 17 34.721 -17.795 5.361 1.00 1.00 ATOM 110 CA VAL 18 37.939 -18.656 7.188 1.00 1.00 ATOM 111 CA PHE 19 38.915 -18.677 10.877 1.00 1.00 ATOM 112 CA ALA 20 41.488 -20.578 12.922 1.00 1.00 ATOM 113 CA ALA 21 44.721 -20.477 14.917 1.00 1.00 ATOM 114 CA SER 22 47.245 -18.979 14.660 1.00 1.00 ATOM 115 CA GLU 23 45.952 -16.052 12.564 1.00 1.00 ATOM 116 CA GLU 24 49.208 -15.351 10.696 1.00 1.00 ATOM 117 CA LEU 25 49.820 -19.009 9.761 1.00 1.00 ATOM 118 CA VAL 26 46.810 -21.321 9.769 1.00 1.00 ATOM 119 CA ASP 27 44.433 -18.601 8.609 1.00 1.00 ATOM 120 CA GLU 28 46.658 -16.345 6.484 1.00 1.00 ATOM 121 CA TYR 29 48.484 -19.060 4.514 1.00 1.00 ATOM 122 CA GLY 36 45.361 -20.789 3.161 1.00 1.00 ATOM 123 CA LYS 37 43.586 -17.413 2.803 1.00 1.00 ATOM 124 CA LEU 38 46.404 -16.195 0.522 1.00 1.00 ATOM 125 CA SER 39 46.515 -19.501 -1.380 1.00 1.00 ATOM 126 CA GLU 40 42.735 -19.381 -1.890 1.00 1.00 ATOM 127 CA VAL 41 42.865 -15.781 -3.163 1.00 1.00 ATOM 128 CA VAL 42 45.488 -16.840 -5.725 1.00 1.00 ATOM 129 CA GLU 43 43.139 -19.644 -6.796 1.00 1.00 ATOM 130 CA LEU 44 40.355 -17.136 -7.446 1.00 1.00 ATOM 131 CA PHE 45 38.175 -17.538 -4.361 1.00 1.00 ATOM 132 CA GLU 46 36.519 -14.616 -2.573 1.00 1.00 ATOM 133 CA VAL 47 37.939 -14.829 0.941 1.00 1.00 ATOM 134 CA PHE 48 36.358 -13.478 4.117 1.00 1.00 ATOM 135 CA THR 49 38.485 -13.742 7.287 1.00 1.00 ATOM 136 CA PRO 50 36.677 -13.874 10.647 1.00 1.00 ATOM 137 CA GLN 51 39.188 -11.835 12.653 1.00 1.00 ATOM 138 CA ASP 52 37.430 -12.234 15.988 1.00 1.00 ATOM 139 CA GLY 53 37.257 -16.054 15.705 1.00 1.00 ATOM 140 CA ARG 54 40.965 -16.348 14.741 1.00 1.00 ATOM 141 CA GLY 55 43.642 -16.080 17.416 1.00 1.00 ATOM 142 CA ALA 56 47.353 -15.504 17.760 1.00 1.00 ATOM 143 CA GLU 57 50.208 -14.543 20.095 1.00 1.00 ATOM 144 CA GLY 58 49.668 -10.781 20.342 1.00 1.00 ATOM 145 CA GLU 59 48.479 -7.629 18.550 1.00 1.00 ATOM 146 CA LEU 60 51.633 -7.341 16.459 1.00 1.00 ATOM 147 CA GLY 61 51.368 -10.891 15.054 1.00 1.00 ATOM 148 CA ALA 62 47.665 -10.251 14.494 1.00 1.00 ATOM 149 CA ALA 63 47.871 -6.806 12.846 1.00 1.00 ATOM 150 CA SER 64 50.805 -7.860 10.650 1.00 1.00 ATOM 151 CA LYS 65 48.635 -10.726 9.389 1.00 1.00 ATOM 152 CA ALA 66 45.631 -8.408 8.828 1.00 1.00 ATOM 153 CA GLN 67 47.806 -6.146 6.730 1.00 1.00 ATOM 154 CA VAL 68 49.113 -9.092 4.716 1.00 1.00 ATOM 155 CA GLU 69 45.653 -10.587 4.089 1.00 1.00 ATOM 156 CA ASN 70 44.005 -7.239 3.299 1.00 1.00 ATOM 157 CA GLU 71 46.902 -6.376 0.930 1.00 1.00 ATOM 158 CA PHE 72 46.074 -9.590 -0.976 1.00 1.00 ATOM 159 CA GLY 73 42.378 -8.790 -1.222 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 11:03:07 2002 Date: Tue, 20 Aug 2002 11:03:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0181 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 Aug 20 10:35:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_482653_28702 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0181TS189_2 Current information on models submitted in prediction T0181TS189 MODEL_INDEX PIN CODE DATE E-mail T0181TS189_2 PIN_482653_28702 5035-2079-5263 08/20/02 10:35:03 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 T0181 MODEL_INDEX PIN CODE DATE E-mail T0181TS189_2 PIN_482653_28702 5035-2079-5263 08/20/02 10:35:03 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 T0181 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1FUA # Loading PARENT structure: 1fua (chain: ) # Number of residues in PARENT structure: 206 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 4 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 6 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 7 # IMPORTANT NOTE! Not complete main chain atoms for residue F 8 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 9 # IMPORTANT NOTE! Not complete main chain atoms for residue K 10 # IMPORTANT NOTE! Not complete main chain atoms for residue G 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue N 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue D 15 # IMPORTANT NOTE! Not complete main chain atoms for residue L 16 # IMPORTANT NOTE! Not complete main chain atoms for residue I 17 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue P 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue V 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue G 53 # IMPORTANT NOTE! Not complete main chain atoms for residue R 54 # IMPORTANT NOTE! Not complete main chain atoms for residue G 55 # IMPORTANT NOTE! Not complete main chain atoms for residue A 56 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue E 59 # IMPORTANT NOTE! Not complete main chain atoms for residue L 60 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0181 # Total number of residues in target: 111 # Total number of residues in model: 46 # Total number of atoms in model: 46 # Number of atoms with 1.0 occupancy: 46 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 46 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0181 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1FUA ATOM 27 CA VAL 4 -17.864 40.517 25.652 1.00 1.00 ATOM 28 CA THR 5 -18.911 43.977 24.602 1.00 1.00 ATOM 29 CA LYS 6 -22.052 45.042 22.747 1.00 1.00 ATOM 30 CA TYR 7 -22.940 48.300 21.074 1.00 1.00 ATOM 31 CA PHE 8 -26.281 49.870 20.012 1.00 1.00 ATOM 32 CA TYR 9 -27.698 53.025 18.393 1.00 1.00 ATOM 33 CA LYS 10 -31.167 54.562 18.758 1.00 1.00 ATOM 34 CA GLY 11 -33.179 53.840 15.604 1.00 1.00 ATOM 35 CA GLU 12 -36.816 54.320 14.596 1.00 1.00 ATOM 36 CA ASN 13 -38.832 53.203 17.585 1.00 1.00 ATOM 37 CA THR 14 -36.097 51.080 19.095 1.00 1.00 ATOM 38 CA ASP 15 -32.425 50.355 18.393 1.00 1.00 ATOM 39 CA LEU 16 -29.964 48.518 16.199 1.00 1.00 ATOM 40 CA ILE 17 -27.649 46.258 18.269 1.00 1.00 ATOM 41 CA ASN 32 -24.809 43.764 17.693 1.00 1.00 ATOM 42 CA PRO 33 -25.961 40.117 17.592 1.00 1.00 ATOM 43 CA SER 34 -24.977 37.410 20.063 1.00 1.00 ATOM 44 CA ILE 35 -22.555 34.694 19.036 1.00 1.00 ATOM 45 CA GLY 36 -20.807 36.259 16.046 1.00 1.00 ATOM 46 CA LYS 37 -17.225 37.334 16.954 1.00 1.00 ATOM 47 CA LEU 38 -16.734 40.949 15.895 1.00 1.00 ATOM 48 CA SER 39 -14.325 40.138 13.006 1.00 1.00 ATOM 49 CA GLU 40 -16.989 38.101 11.237 1.00 1.00 ATOM 50 CA VAL 41 -19.555 40.907 11.580 1.00 1.00 ATOM 51 CA VAL 42 -21.211 42.256 8.427 1.00 1.00 ATOM 52 CA GLU 43 -23.874 44.956 8.229 1.00 1.00 ATOM 53 CA LEU 44 -26.510 42.248 7.680 1.00 1.00 ATOM 54 CA PHE 45 -25.855 40.783 11.156 1.00 1.00 ATOM 55 CA GLU 46 -26.927 43.873 13.116 1.00 1.00 ATOM 56 CA VAL 47 -30.300 43.292 14.699 1.00 1.00 ATOM 57 CA PHE 48 -33.280 45.630 14.965 1.00 1.00 ATOM 58 CA THR 49 -35.314 45.443 18.211 1.00 1.00 ATOM 59 CA PRO 50 -38.463 47.572 18.454 1.00 1.00 ATOM 60 CA GLN 51 -39.850 49.494 21.427 1.00 1.00 ATOM 61 CA ASP 52 -41.826 46.419 22.407 1.00 1.00 ATOM 62 CA GLY 53 -38.744 44.257 22.789 1.00 1.00 ATOM 63 CA ARG 54 -39.460 42.172 19.693 1.00 1.00 ATOM 64 CA GLY 55 -36.370 41.612 17.525 1.00 1.00 ATOM 65 CA ALA 56 -36.140 40.807 13.806 1.00 1.00 ATOM 66 CA GLU 57 -37.049 37.304 12.799 1.00 1.00 ATOM 67 CA GLY 58 -34.122 34.894 12.503 1.00 1.00 ATOM 68 CA GLU 59 -31.535 37.105 14.216 1.00 1.00 ATOM 69 CA LEU 60 -30.409 36.802 17.848 1.00 1.00 ATOM 70 CA GLY 61 -29.555 40.126 19.483 1.00 1.00 ATOM 71 CA ALA 62 -26.855 40.426 22.089 1.00 1.00 ATOM 72 CA ALA 63 -27.675 38.531 25.270 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 20 11:04:07 2002 Date: Tue, 20 Aug 2002 11:04:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0181 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 Tue Aug 20 10:35:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_488494_28705 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0181TS189_3 Current information on models submitted in prediction T0181TS189 MODEL_INDEX PIN CODE DATE E-mail T0181TS189_3 PIN_488494_28705 5035-2079-5263 08/20/02 10:35:56 casp5@bialko.llnl.gov T0181TS189_2 PIN_482653_28702 5035-2079-5263 08/20/02 10:35:03 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 T0181 MODEL_INDEX PIN CODE DATE E-mail T0181TS189_2 PIN_482653_28702 5035-2079-5263 08/20/02 10:35:03 casp5@bialko.llnl.gov T0181TS189_3 PIN_488494_28705 5035-2079-5263 08/20/02 10:35:56 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 T0181 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1FLO_A # Loading PARENT structure: 1flo (chain: A) # Number of residues in PARENT structure: 405 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue E 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue S 39 # IMPORTANT NOTE! Not complete main chain atoms for residue E 40 # IMPORTANT NOTE! Not complete main chain atoms for residue V 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue F 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue V 47 # IMPORTANT NOTE! Not complete main chain atoms for residue F 48 # IMPORTANT NOTE! Not complete main chain atoms for residue T 49 # IMPORTANT NOTE! Not complete main chain atoms for residue P 50 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 51 # IMPORTANT NOTE! Not complete main chain atoms for residue E 57 # IMPORTANT NOTE! Not complete main chain atoms for residue G 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 61 # IMPORTANT NOTE! Not complete main chain atoms for residue A 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue K 65 # IMPORTANT NOTE! Not complete main chain atoms for residue A 66 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 67 # IMPORTANT NOTE! Not complete main chain atoms for residue V 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue N 70 # IMPORTANT NOTE! Not complete main chain atoms for residue E 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue K 74 # IMPORTANT NOTE! Not complete main chain atoms for residue G 75 # IMPORTANT NOTE! Not complete main chain atoms for residue K 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 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 L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue R 87 # IMPORTANT NOTE! Not complete main chain atoms for residue N 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue K 90 # IMPORTANT NOTE! Not complete main chain atoms for residue P 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue S 93 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0181 # Total number of residues in target: 111 # Total number of residues in model: 54 # Total number of atoms in model: 54 # Number of atoms with 1.0 occupancy: 54 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 54 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0181 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1FLO_A ATOM 106 CA GLU 28 -2.979 7.983 5.138 1.00 1.00 ATOM 107 CA TYR 29 -0.738 4.895 4.965 1.00 1.00 ATOM 108 CA LEU 30 1.120 5.390 8.227 1.00 1.00 ATOM 114 CA GLY 36 -0.509 2.521 20.681 1.00 1.00 ATOM 115 CA LYS 37 -3.336 1.418 22.962 1.00 1.00 ATOM 116 CA LEU 38 -2.099 0.989 26.522 1.00 1.00 ATOM 117 CA SER 39 -3.898 -2.375 26.781 1.00 1.00 ATOM 118 CA GLU 40 -2.858 -3.697 23.344 1.00 1.00 ATOM 119 CA VAL 41 0.584 -2.941 24.737 1.00 1.00 ATOM 120 CA VAL 42 -0.021 -4.502 28.180 1.00 1.00 ATOM 121 CA GLU 43 -1.403 -7.581 26.426 1.00 1.00 ATOM 122 CA LEU 44 1.581 -8.003 24.122 1.00 1.00 ATOM 123 CA PHE 45 3.892 -7.295 27.063 1.00 1.00 ATOM 124 CA GLU 46 2.002 -9.871 29.141 1.00 1.00 ATOM 125 CA VAL 47 1.869 -12.465 26.356 1.00 1.00 ATOM 126 CA PHE 48 5.622 -11.964 26.346 1.00 1.00 ATOM 127 CA THR 49 6.153 -12.286 30.093 1.00 1.00 ATOM 128 CA PRO 50 4.865 -15.888 30.005 1.00 1.00 ATOM 129 CA GLN 51 6.472 -17.323 26.848 1.00 1.00 ATOM 135 CA GLU 57 12.636 -10.166 16.307 1.00 1.00 ATOM 136 CA GLY 58 13.231 -11.253 12.715 1.00 1.00 ATOM 137 CA GLY 61 15.942 -8.604 12.644 1.00 1.00 ATOM 138 CA ALA 62 17.390 -9.497 16.041 1.00 1.00 ATOM 139 CA ALA 63 17.892 -13.120 15.021 1.00 1.00 ATOM 140 CA SER 64 19.421 -11.840 11.805 1.00 1.00 ATOM 141 CA LYS 65 22.021 -9.613 13.466 1.00 1.00 ATOM 142 CA ALA 66 22.864 -12.297 15.984 1.00 1.00 ATOM 143 CA GLN 67 23.863 -14.637 13.181 1.00 1.00 ATOM 144 CA VAL 68 25.782 -11.925 11.326 1.00 1.00 ATOM 145 CA GLU 69 27.821 -11.154 14.479 1.00 1.00 ATOM 146 CA ASN 70 28.747 -14.818 14.897 1.00 1.00 ATOM 147 CA GLU 71 29.599 -15.471 11.221 1.00 1.00 ATOM 148 CA PHE 72 32.247 -12.778 11.787 1.00 1.00 ATOM 149 CA GLY 73 33.341 -13.134 15.427 1.00 1.00 ATOM 150 CA LYS 74 34.360 -16.801 15.223 1.00 1.00 ATOM 151 CA GLY 75 37.607 -18.210 13.850 1.00 1.00 ATOM 152 CA LYS 76 37.358 -17.442 10.132 1.00 1.00 ATOM 153 CA LYS 77 38.506 -14.189 8.606 1.00 1.00 ATOM 154 CA ILE 78 36.738 -12.186 5.888 1.00 1.00 ATOM 155 CA GLU 79 39.007 -13.563 3.185 1.00 1.00 ATOM 156 CA GLU 80 38.341 -17.132 4.304 1.00 1.00 ATOM 157 CA VAL 81 34.575 -16.544 4.429 1.00 1.00 ATOM 158 CA ILE 82 34.704 -15.097 0.917 1.00 1.00 ATOM 159 CA ASP 83 36.470 -18.160 -0.465 1.00 1.00 ATOM 160 CA LEU 84 33.825 -20.499 0.975 1.00 1.00 ATOM 161 CA ILE 85 30.822 -18.578 -0.277 1.00 1.00 ATOM 162 CA LEU 86 32.452 -18.083 -3.644 1.00 1.00 ATOM 163 CA ARG 87 33.128 -21.833 -3.882 1.00 1.00 ATOM 164 CA ASN 88 29.619 -22.947 -2.892 1.00 1.00 ATOM 165 CA GLY 89 28.803 -22.154 -6.508 1.00 1.00 ATOM 166 CA LYS 90 31.556 -24.107 -8.231 1.00 1.00 ATOM 167 CA PRO 91 29.767 -27.468 -8.472 1.00 1.00 ATOM 168 CA ASN 92 26.144 -26.669 -7.635 1.00 1.00 ATOM 169 CA SER 93 25.036 -24.666 -10.709 1.00 1.00 TER END ################################ # # # END # # # ################################