From mailer@bialko.llnl.gov Mon Jun 24 08:41:39 2002 Date: Mon, 24 Jun 2002 08:41:33 -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 Mon Jun 24 08:14:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_258531_10862 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT The following is an error report generated by the CASP prediction verifier for one of your server submissions. The attached file is the version of your prediction that was processed. This has been preprocessed by CAFASP, adding the required CASP records, and in some cases, co-ordinates generated from alignments, using the standard CAFASP procedure. Please address the errors, add the following record to your model REMARK Corrected submission: PIN_number and submit the corrected file to submit@predictioncenter.llnl.gov Please ONLY change the records indicated as an ERROR. The returned file will be checked for consistency with the original (current PIN_number). A gentle reminder is that your prediction is not considered accepted as part of CAFASP until it has passed this verification process and a CASP server prediction accession number is issued. Any queries should be sent to casp5@predictioncenter.llnl.gov Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format SS PFRMAT SS TARGET T0138 AUTHOR 2491-6940-1261 # Reading MODEL 1 R T 0.447 # ERROR! Check the line NB = 48 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0138 AUTHOR 2491-6940-1261 METHOD CAFASP METHOD samt02_dssp 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 T0138.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 3 METHOD MODEL 1 M C 0.993 L C 0.861 S C 0.603 Q C 0.439 I E 0.407 A E 0.692 I E 0.788 C E 0.855 I E 0.846 W E 0.785 V E 0.590 E C 0.420 S C 0.438 T H 0.778 A H 0.851 I H 0.920 L H 0.960 Q H 0.946 D H 0.943 C H 0.936 Q H 0.918 R H 0.890 A H 0.839 L H 0.717 S H 0.539 A H 0.432 D C 0.377 R H 0.683 Y H 0.619 Q H 0.612 L H 0.573 Q H 0.506 V H 0.513 C H 0.589 E H 0.528 S H 0.508 G H 0.835 E H 0.918 M H 0.924 L H 0.956 L H 0.963 E H 0.945 Y H 0.917 A H 0.878 Q H 0.785 T H 0.723 H H 0.383 R T 0.447 D T 0.535 Q T 0.374 I C 0.561 D E 0.556 C E 0.964 L E 0.972 I E 0.974 L E 0.934 V E 0.716 A E 0.427 A C 0.403 N S 0.309 P S 0.369 S C 0.469 F H 0.726 R H 0.953 A H 0.965 V H 0.981 V H 0.983 Q H 0.974 Q H 0.959 L H 0.944 C H 0.874 F H 0.690 E T 0.523 G T 0.348 V C 0.471 V E 0.662 V E 0.796 P E 0.808 A E 0.934 I E 0.957 V E 0.931 V E 0.824 G E 0.557 D C 0.598 R C 0.515 D S 0.302 S C 0.345 E C 0.505 D C 0.558 P C 0.536 D C 0.466 E C 0.528 P C 0.666 A C 0.619 K C 0.426 E C 0.414 Q C 0.423 L E 0.488 Y E 0.705 H E 0.775 S E 0.795 A E 0.874 E E 0.926 L E 0.919 H E 0.915 L E 0.660 G C 0.612 I H 0.458 H H 0.498 Q H 0.509 L H 0.695 E H 0.700 Q H 0.699 L H 0.659 P H 0.804 Y H 0.897 Q H 0.937 V H 0.978 D H 0.989 A H 0.991 A H 0.991 L H 0.987 A H 0.981 E H 0.968 F H 0.957 L H 0.912 R H 0.726 L H 0.620 A C 0.498 P C 0.345 V H 0.276 E C 0.230 T C 0.328 M C 0.717 A C 0.999 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jun 24 08:41:49 2002 Date: Mon, 24 Jun 2002 08:41:44 -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 Mon Jun 24 08:15:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_263832_10863 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT The following is an error report generated by the CASP prediction verifier for one of your server submissions. The attached file is the version of your prediction that was processed. This has been preprocessed by CAFASP, adding the required CASP records, and in some cases, co-ordinates generated from alignments, using the standard CAFASP procedure. Please address the errors, add the following record to your model REMARK Corrected submission: PIN_number and submit the corrected file to submit@predictioncenter.llnl.gov Please ONLY change the records indicated as an ERROR. The returned file will be checked for consistency with the original (current PIN_number). A gentle reminder is that your prediction is not considered accepted as part of CAFASP until it has passed this verification process and a CASP server prediction accession number is issued. Any queries should be sent to casp5@predictioncenter.llnl.gov Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format SS PFRMAT SS TARGET T0138 AUTHOR 5144-8387-2760 # Reading MODEL 1 S T 0.392 # ERROR! Check the line NB = 13 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0138 AUTHOR 5144-8387-2760 METHOD CAFASP METHOD samt02_stride 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 T0138.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 3 METHOD MODEL 1 M C 0.843 L C 0.700 S C 0.547 Q H 0.307 I E 0.361 A E 0.449 I E 0.455 C E 0.469 I E 0.401 W E 0.370 V E 0.279 E C 0.438 S T 0.392 T H 0.745 A H 0.837 I H 0.904 L H 0.941 Q H 0.937 D H 0.950 C H 0.957 Q H 0.939 R H 0.906 A H 0.841 L H 0.725 S H 0.574 A H 0.462 D H 0.443 R H 0.623 Y H 0.690 Q H 0.798 L H 0.745 Q H 0.684 V H 0.705 C H 0.649 E H 0.656 S H 0.692 G H 0.820 E H 0.886 M H 0.913 L H 0.948 L H 0.953 E H 0.943 Y H 0.952 A H 0.934 Q H 0.897 T H 0.733 H H 0.393 R T 0.364 D T 0.408 Q T 0.338 I T 0.322 D E 0.523 C E 0.863 L E 0.944 I E 0.964 L E 0.957 V E 0.886 A E 0.565 A T 0.416 N T 0.586 P T 0.525 S H 0.359 F H 0.932 R H 0.980 A H 0.987 V H 0.991 V H 0.992 Q H 0.990 Q H 0.982 L H 0.962 C H 0.901 F H 0.767 E H 0.361 G C 0.527 V C 0.385 V E 0.735 V E 0.787 P E 0.906 A E 0.959 I E 0.961 V E 0.958 V E 0.862 G E 0.493 D C 0.428 R T 0.672 D T 0.709 S T 0.600 E T 0.489 D C 0.532 P C 0.516 D C 0.496 E C 0.541 P C 0.559 A C 0.487 K T 0.436 E C 0.432 Q C 0.455 L E 0.370 Y E 0.627 H E 0.701 S E 0.730 A E 0.811 E E 0.913 L E 0.933 H E 0.918 L E 0.701 G C 0.535 I H 0.427 H H 0.519 Q H 0.646 L H 0.701 E H 0.805 Q H 0.780 L H 0.670 P H 0.775 Y H 0.886 Q H 0.913 V H 0.974 D H 0.981 A H 0.991 A H 0.990 L H 0.987 A H 0.981 E H 0.946 F H 0.946 L H 0.874 R H 0.787 L H 0.741 A C 0.530 P C 0.457 V C 0.282 E C 0.323 T C 0.498 M C 0.745 A C 0.972 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:45:39 2002 Date: Thu, 11 Jul 2002 08:45:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 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 Jul 11 08:18:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_303131_11891 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS189_1 Current information on models submitted in prediction T0138TS189 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0138 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1DBW_A # Loading PARENT structure: 1dbw (chain: A) # Number of residues in PARENT structure: 123 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue C 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue W 10 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue C 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue C 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue F 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue V 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 116 # Total number of atoms in model: 116 # Number of atoms with 1.0 occupancy: 116 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 116 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1DBW_A ATOM 2 CA MET 1 2.619 3.689 2.851 1.00 1.00 ATOM 3 CA LEU 2 6.300 2.686 2.514 1.00 1.00 ATOM 4 CA SER 3 7.881 4.801 5.254 1.00 1.00 ATOM 5 CA GLN 4 11.036 4.289 7.273 1.00 1.00 ATOM 6 CA ILE 5 11.462 4.574 11.030 1.00 1.00 ATOM 7 CA ALA 6 14.797 6.296 11.828 1.00 1.00 ATOM 8 CA ILE 7 16.038 5.364 15.282 1.00 1.00 ATOM 9 CA CYS 8 18.586 7.583 16.937 1.00 1.00 ATOM 10 CA ILE 9 19.693 5.991 20.206 1.00 1.00 ATOM 11 CA TRP 10 22.793 6.834 22.241 1.00 1.00 ATOM 12 CA SER 13 22.843 3.665 24.386 1.00 1.00 ATOM 13 CA THR 14 24.106 0.929 22.050 1.00 1.00 ATOM 14 CA ALA 15 22.079 -2.059 23.442 1.00 1.00 ATOM 15 CA ILE 16 18.790 -0.170 23.805 1.00 1.00 ATOM 16 CA LEU 17 19.059 1.051 20.211 1.00 1.00 ATOM 17 CA GLN 18 19.422 -2.523 18.944 1.00 1.00 ATOM 18 CA ASP 19 16.541 -3.722 21.159 1.00 1.00 ATOM 19 CA CYS 20 14.046 -1.148 19.811 1.00 1.00 ATOM 20 CA GLN 21 15.233 -1.444 16.224 1.00 1.00 ATOM 21 CA ARG 22 15.135 -5.233 16.213 1.00 1.00 ATOM 22 CA ALA 23 11.682 -5.215 17.793 1.00 1.00 ATOM 23 CA LEU 24 10.351 -2.827 15.122 1.00 1.00 ATOM 24 CA SER 25 12.055 -4.884 12.443 1.00 1.00 ATOM 25 CA ALA 26 11.092 -6.795 13.609 1.00 1.00 ATOM 26 CA ASP 27 6.943 -6.199 13.408 1.00 1.00 ATOM 27 CA ARG 28 7.620 -5.418 9.748 1.00 1.00 ATOM 28 CA TYR 29 8.667 -1.791 9.901 1.00 1.00 ATOM 29 CA GLN 30 11.398 -0.477 7.605 1.00 1.00 ATOM 30 CA LEU 31 13.983 0.633 10.155 1.00 1.00 ATOM 31 CA GLN 32 17.274 2.467 9.998 1.00 1.00 ATOM 32 CA VAL 33 19.519 2.833 13.062 1.00 1.00 ATOM 33 CA CYS 34 21.701 5.911 13.290 1.00 1.00 ATOM 34 CA GLU 35 24.782 5.743 15.503 1.00 1.00 ATOM 35 CA SER 36 24.321 9.312 16.739 1.00 1.00 ATOM 36 CA GLY 37 22.243 12.481 16.687 1.00 1.00 ATOM 37 CA GLU 38 24.989 14.049 14.531 1.00 1.00 ATOM 38 CA MET 39 24.883 11.203 12.034 1.00 1.00 ATOM 39 CA LEU 40 21.131 11.575 11.740 1.00 1.00 ATOM 40 CA LEU 41 21.284 15.335 11.219 1.00 1.00 ATOM 41 CA GLU 42 23.786 14.790 8.390 1.00 1.00 ATOM 42 CA TYR 43 21.429 12.289 6.776 1.00 1.00 ATOM 43 CA ALA 44 18.194 14.209 7.430 1.00 1.00 ATOM 44 CA GLN 45 18.029 16.229 4.194 1.00 1.00 ATOM 45 CA THR 46 18.034 12.916 2.293 1.00 1.00 ATOM 46 CA HIS 47 15.129 11.468 4.278 1.00 1.00 ATOM 47 CA GLN 50 11.952 10.902 2.336 1.00 1.00 ATOM 48 CA ILE 51 8.863 9.415 4.018 1.00 1.00 ATOM 49 CA ASP 52 10.538 8.932 7.332 1.00 1.00 ATOM 50 CA CYS 53 9.509 9.033 10.973 1.00 1.00 ATOM 51 CA LEU 54 12.088 9.803 13.653 1.00 1.00 ATOM 52 CA ILE 55 12.264 8.032 17.005 1.00 1.00 ATOM 53 CA LEU 56 14.779 9.381 19.490 1.00 1.00 ATOM 54 CA VAL 57 16.099 7.829 22.704 1.00 1.00 ATOM 55 CA ALA 58 18.870 10.290 23.594 1.00 1.00 ATOM 56 CA ALA 59 19.959 10.348 27.236 1.00 1.00 ATOM 57 CA ASN 60 23.190 12.355 27.173 1.00 1.00 ATOM 58 CA PRO 61 21.996 15.994 27.797 1.00 1.00 ATOM 59 CA SER 62 24.698 17.105 25.277 1.00 1.00 ATOM 62 CA PHE 63 15.872 14.702 21.335 1.00 1.00 ATOM 63 CA ARG 64 14.751 18.283 21.951 1.00 1.00 ATOM 64 CA ALA 65 18.066 19.724 20.672 1.00 1.00 ATOM 65 CA VAL 66 17.917 17.373 17.700 1.00 1.00 ATOM 66 CA VAL 67 14.382 18.662 16.874 1.00 1.00 ATOM 67 CA GLN 68 15.646 22.209 17.197 1.00 1.00 ATOM 68 CA GLN 69 18.599 21.462 14.904 1.00 1.00 ATOM 69 CA LEU 70 16.273 19.804 12.366 1.00 1.00 ATOM 70 CA CYS 71 14.143 22.926 12.499 1.00 1.00 ATOM 71 CA PHE 72 17.212 25.072 11.689 1.00 1.00 ATOM 72 CA GLU 73 17.998 22.868 8.687 1.00 1.00 ATOM 73 CA GLY 74 14.441 23.740 7.541 1.00 1.00 ATOM 74 CA VAL 75 13.588 20.025 7.560 1.00 1.00 ATOM 75 CA VAL 76 10.448 18.624 9.166 1.00 1.00 ATOM 76 CA VAL 77 10.300 14.948 10.138 1.00 1.00 ATOM 77 CA PRO 78 7.413 13.631 12.332 1.00 1.00 ATOM 78 CA ALA 79 8.311 13.329 14.578 1.00 1.00 ATOM 79 CA ILE 80 8.504 10.565 18.704 1.00 1.00 ATOM 80 CA VAL 81 10.829 11.419 21.585 1.00 1.00 ATOM 81 CA VAL 82 11.406 8.606 24.070 1.00 1.00 ATOM 82 CA GLY 83 11.826 10.174 27.478 1.00 1.00 ATOM 83 CA ASP 84 13.303 9.142 30.811 1.00 1.00 ATOM 87 CA GLN 97 8.606 15.540 33.333 1.00 1.00 ATOM 88 CA LEU 98 10.612 18.398 31.839 1.00 1.00 ATOM 89 CA TYR 99 11.995 16.251 29.000 1.00 1.00 ATOM 90 CA HIS 100 8.476 15.265 27.941 1.00 1.00 ATOM 91 CA SER 101 7.134 18.807 28.223 1.00 1.00 ATOM 92 CA ALA 102 10.071 20.187 26.226 1.00 1.00 ATOM 93 CA GLU 103 9.695 17.497 23.568 1.00 1.00 ATOM 94 CA LEU 104 6.081 18.491 22.927 1.00 1.00 ATOM 95 CA HIS 105 6.992 22.192 22.976 1.00 1.00 ATOM 96 CA LEU 106 9.728 21.424 20.403 1.00 1.00 ATOM 97 CA GLY 107 7.196 19.924 17.987 1.00 1.00 ATOM 98 CA ILE 108 7.302 16.197 18.684 1.00 1.00 ATOM 99 CA HIS 109 4.180 14.340 17.526 1.00 1.00 ATOM 100 CA GLN 110 4.344 12.556 20.870 1.00 1.00 ATOM 101 CA LEU 111 6.617 11.546 23.686 1.00 1.00 ATOM 102 CA GLU 112 6.859 8.081 25.155 1.00 1.00 ATOM 103 CA GLN 113 8.038 7.639 28.728 1.00 1.00 ATOM 104 CA LEU 114 10.262 4.628 29.476 1.00 1.00 ATOM 105 CA PRO 115 9.715 1.781 30.084 1.00 1.00 ATOM 106 CA TYR 116 7.079 1.303 27.389 1.00 1.00 ATOM 107 CA GLN 117 5.139 -1.600 25.894 1.00 1.00 ATOM 108 CA VAL 118 5.957 -2.497 22.316 1.00 1.00 ATOM 109 CA ASP 119 2.325 -1.958 21.333 1.00 1.00 ATOM 110 CA ALA 120 2.509 1.599 22.663 1.00 1.00 ATOM 111 CA ALA 121 5.577 2.718 20.729 1.00 1.00 ATOM 112 CA LEU 122 4.228 0.998 17.595 1.00 1.00 ATOM 113 CA ALA 123 0.946 2.942 17.866 1.00 1.00 ATOM 114 CA GLU 124 2.839 6.220 18.350 1.00 1.00 ATOM 115 CA PHE 125 5.005 5.533 15.267 1.00 1.00 ATOM 116 CA LEU 126 1.907 4.714 13.180 1.00 1.00 ATOM 117 CA ARG 127 0.280 7.961 14.424 1.00 1.00 ATOM 118 CA LEU 128 3.391 9.915 13.474 1.00 1.00 ATOM 119 CA ALA 129 3.464 8.275 10.013 1.00 1.00 ATOM 120 CA PRO 130 0.023 9.766 9.353 1.00 1.00 ATOM 121 CA VAL 131 1.691 13.195 9.322 1.00 1.00 ATOM 122 CA GLU 132 3.580 12.234 6.133 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:45:50 2002 Date: Thu, 11 Jul 2002 08:45:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 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 Jul 11 08:18:43 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_300914_11892 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS189_3 Current information on models submitted in prediction T0138TS189 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 casp5@bialko.llnl.gov T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 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 T0138 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1PCF_A # Loading PARENT structure: 1pcf (chain: A) # Number of residues in PARENT structure: 66 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue C 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue W 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue C 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue C 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 62 # Total number of atoms in model: 62 # Number of atoms with 1.0 occupancy: 62 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 62 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1PCF_A ATOM 62 CA MET 1 55.231 49.333 68.239 1.00 1.00 ATOM 63 CA LEU 2 51.831 48.129 67.032 1.00 1.00 ATOM 64 CA SER 3 49.194 46.154 68.932 1.00 1.00 ATOM 65 CA GLN 4 46.235 44.796 67.013 1.00 1.00 ATOM 66 CA ILE 5 42.769 45.275 68.500 1.00 1.00 ATOM 67 CA ALA 6 40.617 44.164 65.561 1.00 1.00 ATOM 68 CA ILE 7 40.611 43.719 61.811 1.00 1.00 ATOM 69 CA CYS 8 42.450 46.780 60.465 1.00 1.00 ATOM 70 CA ILE 9 42.543 48.436 63.931 1.00 1.00 ATOM 71 CA TRP 10 45.703 48.995 65.960 1.00 1.00 ATOM 72 CA VAL 11 47.109 50.802 68.989 1.00 1.00 ATOM 73 CA GLU 12 50.517 52.283 68.092 1.00 1.00 ATOM 74 CA LEU 17 53.052 53.461 70.661 1.00 1.00 ATOM 75 CA GLN 18 55.952 55.542 69.345 1.00 1.00 ATOM 76 CA ASP 19 58.377 58.277 70.273 1.00 1.00 ATOM 77 CA CYS 20 57.660 61.398 68.201 1.00 1.00 ATOM 78 CA GLN 21 60.046 64.322 68.652 1.00 1.00 ATOM 79 CA ARG 22 61.001 63.017 72.110 1.00 1.00 ATOM 80 CA ALA 23 57.357 62.596 73.135 1.00 1.00 ATOM 81 CA LEU 24 55.528 59.259 73.437 1.00 1.00 ATOM 82 CA SER 25 52.116 58.940 71.819 1.00 1.00 ATOM 83 CA ALA 26 49.557 56.149 72.189 1.00 1.00 ATOM 84 CA ASP 27 47.448 56.178 69.007 1.00 1.00 ATOM 85 CA ARG 28 44.207 54.199 68.628 1.00 1.00 ATOM 86 CA TYR 29 43.273 54.113 64.938 1.00 1.00 ATOM 87 CA GLN 30 41.788 52.487 61.897 1.00 1.00 ATOM 88 CA LEU 31 44.194 51.504 59.120 1.00 1.00 ATOM 89 CA GLN 32 43.799 50.769 55.404 1.00 1.00 ATOM 90 CA VAL 33 45.915 48.308 53.408 1.00 1.00 ATOM 91 CA CYS 34 47.732 49.908 50.476 1.00 1.00 ATOM 92 CA GLU 35 48.336 48.273 47.096 1.00 1.00 ATOM 93 CA SER 36 51.649 46.869 48.312 1.00 1.00 ATOM 94 CA GLY 37 50.047 45.140 51.306 1.00 1.00 ATOM 95 CA GLU 38 51.289 47.707 53.879 1.00 1.00 ATOM 96 CA MET 39 49.022 49.015 56.643 1.00 1.00 ATOM 97 CA LEU 40 48.635 52.800 56.460 1.00 1.00 ATOM 98 CA LEU 41 46.894 55.020 59.019 1.00 1.00 ATOM 99 CA GLU 42 43.347 56.148 58.352 1.00 1.00 ATOM 100 CA TYR 43 41.644 59.339 59.491 1.00 1.00 ATOM 101 CA ALA 44 39.549 57.692 62.196 1.00 1.00 ATOM 102 CA GLN 45 41.868 57.591 65.154 1.00 1.00 ATOM 103 CA THR 46 42.962 59.504 68.225 1.00 1.00 ATOM 104 CA HIS 47 46.477 60.268 69.477 1.00 1.00 ATOM 105 CA ARG 48 46.862 60.270 73.266 1.00 1.00 ATOM 106 CA ASP 49 49.795 61.394 75.403 1.00 1.00 ATOM 107 CA GLN 50 50.797 59.184 78.334 1.00 1.00 ATOM 108 CA ILE 51 48.746 61.229 80.794 1.00 1.00 ATOM 109 CA ASP 52 45.581 60.842 78.717 1.00 1.00 ATOM 110 CA CYS 53 46.236 57.137 78.191 1.00 1.00 ATOM 111 CA LEU 54 46.595 56.863 81.930 1.00 1.00 ATOM 112 CA ILE 55 43.285 58.663 82.434 1.00 1.00 ATOM 113 CA LEU 56 41.532 56.378 79.895 1.00 1.00 ATOM 114 CA VAL 57 42.784 53.363 81.839 1.00 1.00 ATOM 115 CA ALA 58 41.653 54.884 85.113 1.00 1.00 ATOM 116 CA ALA 59 38.144 55.134 83.598 1.00 1.00 ATOM 117 CA ASN 60 38.029 51.457 82.420 1.00 1.00 ATOM 118 CA PRO 61 36.059 50.043 85.364 1.00 1.00 ATOM 119 CA SER 62 33.354 52.685 84.908 1.00 1.00 ATOM 120 CA PHE 63 33.353 52.382 81.081 1.00 1.00 ATOM 121 CA ARG 64 32.887 48.621 81.476 1.00 1.00 ATOM 122 CA ALA 65 29.993 49.081 83.913 1.00 1.00 ATOM 123 CA VAL 66 28.309 51.254 81.248 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:46:08 2002 Date: Thu, 11 Jul 2002 08:46:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 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 Jul 11 08:18:57 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_306469_11893 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS189_2 Current information on models submitted in prediction T0138TS189 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_2 PIN_306469_11893 5035-2079-5263 07/11/02 08:18:57 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 casp5@bialko.llnl.gov T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov T0138TS189_2 PIN_306469_11893 5035-2079-5263 07/11/02 08:18:57 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 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 T0138 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1FGG_A # Loading PARENT structure: 1fgg (chain: A) # Number of residues in PARENT structure: 250 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue I 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 A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue C 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue W 10 # IMPORTANT NOTE! Not complete main chain atoms for residue V 11 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue C 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue C 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue F 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue V 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue M 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 124 # Total number of atoms in model: 124 # Number of atoms with 1.0 occupancy: 124 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 124 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1FGG_A ATOM 75 CA ILE 5 -1.682 0.836 4.691 1.00 1.00 ATOM 76 CA ALA 6 0.296 -1.438 7.026 1.00 1.00 ATOM 77 CA ILE 7 3.801 -0.387 8.092 1.00 1.00 ATOM 78 CA CYS 8 6.389 -3.168 8.549 1.00 1.00 ATOM 79 CA ILE 9 9.119 -2.111 10.980 1.00 1.00 ATOM 80 CA TRP 10 12.350 -4.076 10.555 1.00 1.00 ATOM 81 CA VAL 11 14.322 -3.968 13.775 1.00 1.00 ATOM 82 CA GLU 12 17.554 -5.875 14.317 1.00 1.00 ATOM 83 CA SER 13 18.362 -6.439 18.007 1.00 1.00 ATOM 84 CA THR 14 21.005 -8.343 19.996 1.00 1.00 ATOM 85 CA ALA 15 21.583 -9.225 23.634 1.00 1.00 ATOM 110 CA ILE 16 11.978 -8.163 15.253 1.00 1.00 ATOM 111 CA LEU 17 15.152 -9.926 14.164 1.00 1.00 ATOM 112 CA GLN 18 17.397 -11.290 16.906 1.00 1.00 ATOM 113 CA ASP 19 21.110 -11.544 16.249 1.00 1.00 ATOM 114 CA CYS 20 21.216 -14.895 18.087 1.00 1.00 ATOM 115 CA GLN 21 21.650 -18.671 17.709 1.00 1.00 ATOM 116 CA ARG 22 17.936 -19.178 18.306 1.00 1.00 ATOM 124 CA ALA 23 8.705 -9.191 25.544 1.00 1.00 ATOM 125 CA LEU 24 6.972 -9.759 22.198 1.00 1.00 ATOM 126 CA SER 25 4.205 -11.973 23.603 1.00 1.00 ATOM 127 CA ALA 26 3.535 -9.359 26.296 1.00 1.00 ATOM 128 CA ASP 27 3.827 -6.347 23.973 1.00 1.00 ATOM 129 CA ARG 28 0.319 -6.699 22.569 1.00 1.00 ATOM 130 CA TYR 29 1.702 -5.743 19.154 1.00 1.00 ATOM 131 CA GLN 30 1.229 -7.399 15.785 1.00 1.00 ATOM 132 CA LEU 31 4.611 -9.041 15.138 1.00 1.00 ATOM 133 CA GLN 32 6.747 -11.725 13.534 1.00 1.00 ATOM 134 CA VAL 33 9.813 -12.967 15.415 1.00 1.00 ATOM 135 CA CYS 34 12.900 -13.690 13.301 1.00 1.00 ATOM 136 CA GLU 35 16.437 -14.929 14.031 1.00 1.00 ATOM 137 CA SER 36 19.793 -14.858 12.217 1.00 1.00 ATOM 138 CA GLY 37 23.356 -14.865 13.518 1.00 1.00 ATOM 139 CA GLU 38 25.990 -12.287 12.549 1.00 1.00 ATOM 140 CA MET 39 29.158 -14.027 11.258 1.00 1.00 ATOM 165 CA LEU 41 13.496 -8.896 3.640 1.00 1.00 ATOM 166 CA GLU 42 13.816 -12.635 2.859 1.00 1.00 ATOM 167 CA TYR 43 10.750 -13.359 4.970 1.00 1.00 ATOM 168 CA ALA 44 8.782 -10.619 3.201 1.00 1.00 ATOM 169 CA GLN 45 9.749 -12.288 -0.086 1.00 1.00 ATOM 170 CA THR 46 8.283 -15.619 1.018 1.00 1.00 ATOM 180 CA HIS 47 3.203 -15.929 6.812 1.00 1.00 ATOM 181 CA ARG 48 4.363 -12.778 4.992 1.00 1.00 ATOM 182 CA ASP 49 1.936 -10.569 3.025 1.00 1.00 ATOM 183 CA GLN 50 1.002 -12.065 -0.355 1.00 1.00 ATOM 188 CA ASP 52 2.380 -1.405 2.534 1.00 1.00 ATOM 189 CA CYS 53 5.611 0.276 3.537 1.00 1.00 ATOM 190 CA LEU 54 8.835 -1.120 4.994 1.00 1.00 ATOM 191 CA ILE 55 10.823 0.901 7.531 1.00 1.00 ATOM 192 CA LEU 56 14.191 -0.041 9.045 1.00 1.00 ATOM 193 CA VAL 57 14.193 1.006 12.688 1.00 1.00 ATOM 194 CA ALA 58 17.311 0.261 14.766 1.00 1.00 ATOM 195 CA ALA 59 16.437 -0.497 18.381 1.00 1.00 ATOM 200 CA ASN 60 7.841 10.189 17.223 1.00 1.00 ATOM 201 CA PRO 61 4.436 8.691 16.463 1.00 1.00 ATOM 202 CA SER 62 3.999 11.404 13.799 1.00 1.00 ATOM 203 CA PHE 63 6.828 9.869 11.798 1.00 1.00 ATOM 204 CA VAL 66 4.732 6.816 10.956 1.00 1.00 ATOM 205 CA VAL 67 1.854 8.737 9.416 1.00 1.00 ATOM 206 CA GLN 68 4.433 10.476 7.237 1.00 1.00 ATOM 207 CA GLN 69 5.786 7.250 5.718 1.00 1.00 ATOM 208 CA LEU 70 2.431 5.476 5.470 1.00 1.00 ATOM 209 CA CYS 71 1.747 6.999 2.030 1.00 1.00 ATOM 210 CA PHE 72 4.959 5.944 0.266 1.00 1.00 ATOM 211 CA GLU 73 4.710 5.053 -3.450 1.00 1.00 ATOM 212 CA GLY 74 8.351 4.183 -4.035 1.00 1.00 ATOM 213 CA VAL 75 10.882 5.581 -1.574 1.00 1.00 ATOM 214 CA VAL 76 10.183 8.429 0.870 1.00 1.00 ATOM 215 CA VAL 77 12.607 10.605 2.879 1.00 1.00 ATOM 216 CA PRO 78 12.755 13.028 5.813 1.00 1.00 ATOM 217 CA VAL 81 15.420 14.650 8.000 1.00 1.00 ATOM 218 CA VAL 82 17.054 12.790 10.892 1.00 1.00 ATOM 219 CA GLY 83 18.345 14.485 13.995 1.00 1.00 ATOM 220 CA ASP 84 21.686 14.151 15.730 1.00 1.00 ATOM 221 CA ARG 85 23.225 12.052 12.954 1.00 1.00 ATOM 222 CA ASP 86 26.255 12.262 10.667 1.00 1.00 ATOM 223 CA SER 87 27.826 14.658 13.143 1.00 1.00 ATOM 224 CA GLU 88 25.107 17.229 12.373 1.00 1.00 ATOM 225 CA ASP 89 22.187 18.692 14.372 1.00 1.00 ATOM 226 CA PRO 90 20.152 17.015 11.674 1.00 1.00 ATOM 243 CA ASP 91 30.277 13.203 6.163 1.00 1.00 ATOM 244 CA GLU 92 31.017 10.971 3.133 1.00 1.00 ATOM 245 CA PRO 93 29.417 13.351 0.604 1.00 1.00 ATOM 246 CA ALA 94 30.190 10.809 -2.148 1.00 1.00 ATOM 247 CA LYS 95 27.194 8.748 -0.991 1.00 1.00 ATOM 248 CA GLU 96 24.497 8.736 -3.681 1.00 1.00 ATOM 249 CA GLN 97 22.035 8.671 -0.755 1.00 1.00 ATOM 250 CA LEU 98 23.686 10.544 2.154 1.00 1.00 ATOM 251 CA TYR 99 20.827 9.624 4.493 1.00 1.00 ATOM 252 CA HIS 100 20.620 7.464 7.610 1.00 1.00 ATOM 253 CA SER 101 18.821 4.118 7.911 1.00 1.00 ATOM 254 CA ALA 102 16.093 5.878 9.898 1.00 1.00 ATOM 255 CA GLU 103 15.684 8.554 7.251 1.00 1.00 ATOM 256 CA LEU 104 13.608 6.639 4.698 1.00 1.00 ATOM 257 CA HIS 105 10.941 3.995 4.056 1.00 1.00 ATOM 258 CA LEU 106 10.250 1.767 1.040 1.00 1.00 ATOM 259 CA GLY 107 7.028 0.663 -0.636 1.00 1.00 ATOM 260 CA ILE 108 6.534 -3.081 -0.091 1.00 1.00 ATOM 261 CA HIS 109 5.514 -3.665 -3.745 1.00 1.00 ATOM 262 CA GLN 110 8.714 -1.980 -4.909 1.00 1.00 ATOM 263 CA LEU 111 10.787 -4.310 -2.730 1.00 1.00 ATOM 264 CA GLU 112 9.181 -7.444 -4.154 1.00 1.00 ATOM 265 CA GLN 113 9.557 -6.051 -7.678 1.00 1.00 ATOM 266 CA LEU 114 13.308 -5.688 -7.075 1.00 1.00 ATOM 267 CA PRO 115 14.532 -9.055 -5.644 1.00 1.00 ATOM 276 CA TYR 116 32.202 0.855 2.804 1.00 1.00 ATOM 279 CA GLN 117 27.374 3.307 2.212 1.00 1.00 ATOM 280 CA VAL 118 25.036 0.708 3.642 1.00 1.00 ATOM 281 CA ASP 119 21.905 2.759 2.940 1.00 1.00 ATOM 282 CA ALA 120 22.915 3.478 -0.651 1.00 1.00 ATOM 283 CA ALA 121 23.666 -0.215 -1.265 1.00 1.00 ATOM 284 CA LEU 122 19.985 -0.967 -0.867 1.00 1.00 ATOM 285 CA ALA 123 18.418 2.212 -2.299 1.00 1.00 ATOM 286 CA GLU 124 20.463 2.260 -5.542 1.00 1.00 ATOM 287 CA PHE 125 18.515 -0.812 -6.691 1.00 1.00 ATOM 288 CA LEU 126 15.250 1.015 -5.951 1.00 1.00 ATOM 289 CA ARG 127 15.339 4.613 -7.257 1.00 1.00 ATOM 290 CA LEU 128 17.379 7.649 -8.278 1.00 1.00 ATOM 293 CA PRO 130 12.703 10.417 -7.449 1.00 1.00 ATOM 294 CA VAL 131 12.683 10.481 -3.643 1.00 1.00 ATOM 295 CA GLU 132 9.347 11.447 -2.047 1.00 1.00 ATOM 296 CA THR 133 9.976 14.224 0.486 1.00 1.00 ATOM 297 CA MET 134 7.839 13.949 3.626 1.00 1.00 ATOM 298 CA ALA 135 7.715 15.732 7.006 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:46:19 2002 Date: Thu, 11 Jul 2002 08:46:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 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 Jul 11 08:19:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_312540_11894 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS189_4 Current information on models submitted in prediction T0138TS189 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_4 PIN_312540_11894 5035-2079-5263 07/11/02 08:19:11 casp5@bialko.llnl.gov T0138TS189_2 PIN_306469_11893 5035-2079-5263 07/11/02 08:18:57 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 casp5@bialko.llnl.gov T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov T0138TS189_2 PIN_306469_11893 5035-2079-5263 07/11/02 08:18:57 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 casp5@bialko.llnl.gov T0138TS189_4 PIN_312540_11894 5035-2079-5263 07/11/02 08:19:11 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 T0138 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1BOU_B # Loading PARENT structure: 1bou (chain: B) # Number of residues in PARENT structure: 298 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 4 # IMPORTANT NOTE! Not complete main chain atoms for residue I 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 6 # IMPORTANT NOTE! Not complete main chain atoms for residue I 7 # IMPORTANT NOTE! Not complete main chain atoms for residue C 8 # IMPORTANT NOTE! Not complete main chain atoms for residue I 9 # IMPORTANT NOTE! Not complete main chain atoms for residue W 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue T 14 # IMPORTANT NOTE! Not complete main chain atoms for residue A 15 # IMPORTANT NOTE! Not complete main chain atoms for residue I 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 18 # IMPORTANT NOTE! Not complete main chain atoms for residue D 19 # IMPORTANT NOTE! Not complete main chain atoms for residue C 20 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue L 24 # IMPORTANT NOTE! Not complete main chain atoms for residue S 25 # IMPORTANT NOTE! Not complete main chain atoms for residue A 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue R 28 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 29 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue C 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue E 38 # IMPORTANT NOTE! Not complete main chain atoms for residue M 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue L 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue T 46 # IMPORTANT NOTE! Not complete main chain atoms for residue H 47 # IMPORTANT NOTE! Not complete main chain atoms for residue R 48 # IMPORTANT NOTE! Not complete main chain atoms for residue D 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue I 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue C 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue V 57 # IMPORTANT NOTE! Not complete main chain atoms for residue A 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue K 95 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue L 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue A 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue L 104 # IMPORTANT NOTE! Not complete main chain atoms for residue H 105 # IMPORTANT NOTE! Not complete main chain atoms for residue L 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue F 125 # IMPORTANT NOTE! Not complete main chain atoms for residue L 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue A 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue V 131 # IMPORTANT NOTE! Not complete main chain atoms for residue E 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue M 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 134 # Total number of atoms in model: 134 # Number of atoms with 1.0 occupancy: 134 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 134 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1BOU_B ATOM 2 CA MET 1 64.778 73.024 23.546 1.00 1.00 ATOM 3 CA LEU 2 62.932 74.185 20.442 1.00 1.00 ATOM 4 CA SER 3 60.364 72.767 17.971 1.00 1.00 ATOM 5 CA GLN 4 61.311 74.745 14.847 1.00 1.00 ATOM 6 CA ILE 5 59.314 72.992 12.194 1.00 1.00 ATOM 7 CA ALA 6 56.528 70.544 11.534 1.00 1.00 ATOM 8 CA ILE 7 56.625 68.165 8.600 1.00 1.00 ATOM 9 CA CYS 8 54.036 65.643 7.393 1.00 1.00 ATOM 10 CA ILE 9 54.753 62.801 4.997 1.00 1.00 ATOM 11 CA TRP 10 53.470 59.496 3.682 1.00 1.00 ATOM 12 CA GLU 12 55.135 56.313 4.916 1.00 1.00 ATOM 13 CA SER 13 53.613 53.572 2.770 1.00 1.00 ATOM 14 CA THR 14 55.889 50.555 2.176 1.00 1.00 ATOM 15 CA ALA 15 55.685 50.841 -1.621 1.00 1.00 ATOM 16 CA ILE 16 57.995 53.900 -1.494 1.00 1.00 ATOM 17 CA LEU 17 60.773 52.066 0.335 1.00 1.00 ATOM 18 CA GLN 18 60.473 49.289 -2.239 1.00 1.00 ATOM 19 CA ASP 19 60.763 51.678 -5.191 1.00 1.00 ATOM 20 CA CYS 20 64.048 52.837 -3.666 1.00 1.00 ATOM 21 CA GLN 21 65.217 49.306 -2.836 1.00 1.00 ATOM 22 CA ARG 22 64.558 48.001 -6.338 1.00 1.00 ATOM 23 CA ALA 23 66.012 51.117 -7.953 1.00 1.00 ATOM 24 CA LEU 24 62.757 52.068 -9.694 1.00 1.00 ATOM 25 CA SER 25 62.179 55.300 -7.787 1.00 1.00 ATOM 26 CA ALA 26 62.855 57.100 -11.073 1.00 1.00 ATOM 27 CA ASP 27 60.459 55.272 -13.408 1.00 1.00 ATOM 28 CA ARG 28 57.270 56.660 -14.979 1.00 1.00 ATOM 29 CA TYR 29 55.131 55.856 -11.951 1.00 1.00 ATOM 30 CA GLN 30 57.397 56.782 -9.032 1.00 1.00 ATOM 31 CA LEU 31 59.370 59.585 -10.645 1.00 1.00 ATOM 32 CA GLN 32 56.724 62.288 -10.098 1.00 1.00 ATOM 33 CA VAL 33 56.465 61.243 -6.453 1.00 1.00 ATOM 34 CA CYS 34 60.185 61.455 -5.667 1.00 1.00 ATOM 35 CA GLU 35 60.444 64.696 -7.608 1.00 1.00 ATOM 36 CA SER 36 57.804 66.142 -5.304 1.00 1.00 ATOM 37 CA GLY 37 59.973 65.357 -2.287 1.00 1.00 ATOM 38 CA GLU 38 63.062 66.973 -3.829 1.00 1.00 ATOM 39 CA MET 39 62.254 70.459 -2.448 1.00 1.00 ATOM 40 CA LEU 40 61.990 69.056 1.064 1.00 1.00 ATOM 41 CA LEU 41 65.278 67.240 0.559 1.00 1.00 ATOM 42 CA GLU 42 67.047 70.375 -0.642 1.00 1.00 ATOM 43 CA TYR 43 65.458 72.485 2.083 1.00 1.00 ATOM 44 CA ALA 44 66.293 70.287 5.081 1.00 1.00 ATOM 45 CA GLN 45 69.976 70.011 4.166 1.00 1.00 ATOM 46 CA THR 46 70.483 73.791 4.229 1.00 1.00 ATOM 47 CA HIS 47 72.478 74.929 7.288 1.00 1.00 ATOM 48 CA ARG 48 70.175 75.684 10.195 1.00 1.00 ATOM 49 CA ASP 49 67.386 73.670 8.623 1.00 1.00 ATOM 50 CA GLN 50 68.725 70.254 9.556 1.00 1.00 ATOM 51 CA ILE 51 67.277 69.090 12.918 1.00 1.00 ATOM 52 CA ASP 52 69.242 67.575 15.779 1.00 1.00 ATOM 53 CA CYS 53 66.352 65.342 16.791 1.00 1.00 ATOM 54 CA LEU 54 63.228 64.266 14.942 1.00 1.00 ATOM 55 CA ILE 55 60.163 63.184 16.907 1.00 1.00 ATOM 56 CA LEU 56 58.561 60.857 14.410 1.00 1.00 ATOM 57 CA VAL 57 54.867 60.250 14.975 1.00 1.00 ATOM 58 CA ALA 58 53.623 57.167 13.131 1.00 1.00 ATOM 59 CA ALA 59 51.424 54.165 13.768 1.00 1.00 ATOM 60 CA ASN 60 52.976 50.749 14.266 1.00 1.00 ATOM 61 CA PRO 61 51.601 48.413 11.581 1.00 1.00 ATOM 62 CA SER 62 51.447 45.276 13.708 1.00 1.00 ATOM 73 CA PHE 63 50.528 56.365 22.963 1.00 1.00 ATOM 74 CA ARG 64 54.119 55.110 23.272 1.00 1.00 ATOM 105 CA ALA 65 62.462 63.992 29.499 1.00 1.00 ATOM 106 CA VAL 66 59.472 64.146 27.153 1.00 1.00 ATOM 107 CA VAL 67 58.061 60.902 28.563 1.00 1.00 ATOM 108 CA GLN 68 58.268 62.144 32.185 1.00 1.00 ATOM 109 CA GLN 69 56.640 65.447 31.191 1.00 1.00 ATOM 110 CA LEU 70 53.697 63.907 29.348 1.00 1.00 ATOM 111 CA CYS 71 52.783 61.713 32.339 1.00 1.00 ATOM 112 CA PHE 72 53.031 64.676 34.714 1.00 1.00 ATOM 127 CA GLU 73 58.232 51.261 7.484 1.00 1.00 ATOM 128 CA GLY 74 56.037 53.808 9.244 1.00 1.00 ATOM 129 CA VAL 75 59.140 55.203 10.881 1.00 1.00 ATOM 130 CA VAL 76 61.885 54.493 8.321 1.00 1.00 ATOM 131 CA VAL 77 60.206 55.261 4.998 1.00 1.00 ATOM 132 CA PRO 78 59.805 58.957 5.902 1.00 1.00 ATOM 133 CA ALA 79 63.520 59.096 6.778 1.00 1.00 ATOM 134 CA ILE 80 64.394 57.579 3.393 1.00 1.00 ATOM 135 CA VAL 81 62.107 59.996 1.554 1.00 1.00 ATOM 136 CA VAL 82 63.561 63.068 3.245 1.00 1.00 ATOM 137 CA GLY 83 67.170 62.073 3.934 1.00 1.00 ATOM 138 CA ASP 84 67.742 59.802 0.957 1.00 1.00 ATOM 216 CA ARG 85 42.104 73.350 7.903 1.00 1.00 ATOM 217 CA ASP 86 45.177 71.777 9.466 1.00 1.00 ATOM 218 CA SER 87 47.039 74.973 8.608 1.00 1.00 ATOM 219 CA GLU 88 44.463 77.648 9.469 1.00 1.00 ATOM 220 CA ASP 89 41.923 76.045 11.828 1.00 1.00 ATOM 221 CA PRO 90 43.423 72.976 13.580 1.00 1.00 ATOM 222 CA ASP 91 41.263 73.408 16.676 1.00 1.00 ATOM 223 CA GLU 92 38.121 72.922 14.590 1.00 1.00 ATOM 224 CA PRO 93 39.685 70.048 12.638 1.00 1.00 ATOM 225 CA ALA 94 40.447 68.247 15.910 1.00 1.00 ATOM 226 CA LYS 95 36.719 68.105 16.566 1.00 1.00 ATOM 227 CA GLU 96 36.199 65.865 13.542 1.00 1.00 ATOM 228 CA GLN 97 34.906 62.462 14.747 1.00 1.00 ATOM 237 CA LEU 98 38.481 55.369 3.742 1.00 1.00 ATOM 238 CA TYR 99 38.881 52.993 6.664 1.00 1.00 ATOM 239 CA HIS 100 42.659 53.431 6.647 1.00 1.00 ATOM 240 CA SER 101 42.564 57.181 6.064 1.00 1.00 ATOM 241 CA ALA 102 42.042 57.563 9.807 1.00 1.00 ATOM 242 CA GLU 103 45.860 57.721 10.037 1.00 1.00 ATOM 243 CA LEU 104 45.460 61.450 9.394 1.00 1.00 ATOM 244 CA HIS 105 44.569 61.982 13.060 1.00 1.00 ATOM 245 CA LEU 106 48.304 61.723 13.728 1.00 1.00 ATOM 246 CA GLY 107 48.941 64.875 11.693 1.00 1.00 ATOM 247 CA ILE 108 47.113 66.745 14.453 1.00 1.00 ATOM 248 CA HIS 109 49.830 65.790 16.929 1.00 1.00 ATOM 249 CA GLN 110 52.421 67.457 14.734 1.00 1.00 ATOM 250 CA LEU 111 50.148 70.473 14.212 1.00 1.00 ATOM 251 CA GLU 112 49.486 70.850 17.932 1.00 1.00 ATOM 252 CA GLN 113 53.216 71.130 18.563 1.00 1.00 ATOM 253 CA LEU 114 53.227 74.273 16.411 1.00 1.00 ATOM 254 CA PRO 115 51.820 77.674 17.492 1.00 1.00 ATOM 255 CA TYR 116 48.530 79.140 16.364 1.00 1.00 ATOM 256 CA GLN 117 50.097 81.021 13.467 1.00 1.00 ATOM 257 CA VAL 118 52.143 78.898 11.069 1.00 1.00 ATOM 258 CA ASP 119 53.467 79.463 7.575 1.00 1.00 ATOM 259 CA ALA 120 53.285 76.610 5.102 1.00 1.00 ATOM 260 CA ALA 121 56.581 76.676 3.245 1.00 1.00 ATOM 261 CA LEU 122 55.717 73.812 0.935 1.00 1.00 ATOM 262 CA ALA 123 52.973 71.363 0.092 1.00 1.00 ATOM 274 CA GLU 124 50.721 64.333 0.877 1.00 1.00 ATOM 275 CA PHE 125 53.770 65.993 2.364 1.00 1.00 ATOM 276 CA LEU 126 54.364 69.469 3.751 1.00 1.00 ATOM 277 CA ARG 127 56.606 71.779 5.762 1.00 1.00 ATOM 278 CA LEU 128 55.194 74.093 8.406 1.00 1.00 ATOM 279 CA ALA 129 57.023 76.542 10.617 1.00 1.00 ATOM 280 CA PRO 130 55.756 79.041 13.190 1.00 1.00 ATOM 281 CA VAL 131 54.978 82.295 11.365 1.00 1.00 ATOM 282 CA GLU 132 57.169 84.056 13.908 1.00 1.00 ATOM 283 CA THR 133 60.348 82.290 12.837 1.00 1.00 ATOM 294 CA MET 134 49.571 68.818 -7.157 1.00 1.00 ATOM 295 CA ALA 135 50.563 65.923 -9.394 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 11 08:46:29 2002 Date: Thu, 11 Jul 2002 08:46:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0138 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 11 08:19:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_308380_11895 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138TS189_5 Current information on models submitted in prediction T0138TS189 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_5 PIN_308380_11895 5035-2079-5263 07/11/02 08:19:25 casp5@bialko.llnl.gov T0138TS189_4 PIN_312540_11894 5035-2079-5263 07/11/02 08:19:11 casp5@bialko.llnl.gov T0138TS189_2 PIN_306469_11893 5035-2079-5263 07/11/02 08:18:57 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 casp5@bialko.llnl.gov T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0138 MODEL_INDEX PIN CODE DATE E-mail T0138TS189_1 PIN_303131_11891 5035-2079-5263 07/11/02 08:18:29 casp5@bialko.llnl.gov T0138TS189_2 PIN_306469_11893 5035-2079-5263 07/11/02 08:18:57 casp5@bialko.llnl.gov T0138TS189_3 PIN_300914_11892 5035-2079-5263 07/11/02 08:18:43 casp5@bialko.llnl.gov T0138TS189_4 PIN_312540_11894 5035-2079-5263 07/11/02 08:19:11 casp5@bialko.llnl.gov T0138TS189_5 PIN_308380_11895 5035-2079-5263 07/11/02 08:19:25 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 T0138 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1JJF_A # Loading PARENT structure: 1jjf (chain: A) # Number of residues in PARENT structure: 255 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 N 60 # IMPORTANT NOTE! Not complete main chain atoms for residue P 61 # IMPORTANT NOTE! Not complete main chain atoms for residue S 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue R 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue V 66 # IMPORTANT NOTE! Not complete main chain atoms for residue V 67 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 68 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue C 71 # IMPORTANT NOTE! Not complete main chain atoms for residue F 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue V 76 # IMPORTANT NOTE! Not complete main chain atoms for residue V 77 # IMPORTANT NOTE! Not complete main chain atoms for residue P 78 # IMPORTANT NOTE! Not complete main chain atoms for residue A 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue V 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue D 84 # IMPORTANT NOTE! Not complete main chain atoms for residue R 85 # IMPORTANT NOTE! Not complete main chain atoms for residue D 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue D 89 # IMPORTANT NOTE! Not complete main chain atoms for residue P 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue P 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue H 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 110 # IMPORTANT NOTE! Not complete main chain atoms for residue L 111 # IMPORTANT NOTE! Not complete main chain atoms for residue E 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue P 115 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 116 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue D 119 # IMPORTANT NOTE! Not complete main chain atoms for residue A 120 # IMPORTANT NOTE! Not complete main chain atoms for residue A 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue A 123 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0138 # Total number of residues in target: 135 # Total number of residues in model: 51 # Total number of atoms in model: 51 # Number of atoms with 1.0 occupancy: 51 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 51 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0138 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1JJF_A ATOM 100 CA ALA 59 24.356 42.482 54.620 1.00 1.00 ATOM 101 CA ASN 60 28.117 42.186 54.338 1.00 1.00 ATOM 102 CA PRO 61 28.773 38.911 52.553 1.00 1.00 ATOM 103 CA SER 62 28.553 40.364 49.044 1.00 1.00 ATOM 104 CA PHE 63 28.267 36.761 47.836 1.00 1.00 ATOM 105 CA ARG 64 26.902 37.792 44.439 1.00 1.00 ATOM 106 CA ALA 65 29.830 40.129 43.769 1.00 1.00 ATOM 107 CA VAL 66 32.383 37.558 44.892 1.00 1.00 ATOM 108 CA VAL 67 30.743 34.928 42.668 1.00 1.00 ATOM 109 CA GLN 68 30.396 37.341 39.736 1.00 1.00 ATOM 110 CA GLN 69 34.095 38.170 39.845 1.00 1.00 ATOM 111 CA LEU 70 35.245 34.548 40.221 1.00 1.00 ATOM 112 CA CYS 71 33.151 33.500 37.228 1.00 1.00 ATOM 113 CA PHE 72 34.679 36.301 35.138 1.00 1.00 ATOM 114 CA GLU 73 38.204 35.260 36.130 1.00 1.00 ATOM 115 CA GLY 74 37.454 31.719 35.033 1.00 1.00 ATOM 116 CA VAL 75 38.119 30.407 38.542 1.00 1.00 ATOM 117 CA VAL 76 34.664 28.872 38.946 1.00 1.00 ATOM 118 CA VAL 77 31.816 27.878 36.652 1.00 1.00 ATOM 119 CA PRO 78 28.456 29.572 37.205 1.00 1.00 ATOM 120 CA ALA 79 26.245 28.108 39.924 1.00 1.00 ATOM 121 CA ILE 80 23.164 29.059 41.925 1.00 1.00 ATOM 122 CA VAL 81 23.611 30.230 45.517 1.00 1.00 ATOM 123 CA VAL 82 20.659 30.005 47.887 1.00 1.00 ATOM 124 CA GLY 83 20.578 31.844 51.208 1.00 1.00 ATOM 125 CA ASP 84 17.805 30.596 53.523 1.00 1.00 ATOM 126 CA ARG 85 16.623 31.947 56.854 1.00 1.00 ATOM 127 CA ASP 86 18.213 29.449 59.252 1.00 1.00 ATOM 128 CA SER 87 15.857 29.878 62.205 1.00 1.00 ATOM 129 CA GLU 88 12.950 27.587 61.344 1.00 1.00 ATOM 130 CA ASP 89 10.806 28.720 64.268 1.00 1.00 ATOM 131 CA PRO 90 7.206 27.583 64.659 1.00 1.00 ATOM 132 CA ASP 91 4.432 26.089 66.864 1.00 1.00 ATOM 133 CA GLU 92 5.861 23.918 69.623 1.00 1.00 ATOM 134 CA PRO 93 9.397 24.384 68.316 1.00 1.00 ATOM 135 CA ALA 94 12.097 23.449 70.798 1.00 1.00 ATOM 136 CA HIS 109 15.018 24.611 68.643 1.00 1.00 ATOM 137 CA GLN 110 14.415 26.541 65.430 1.00 1.00 ATOM 138 CA LEU 111 18.001 26.144 64.274 1.00 1.00 ATOM 139 CA GLU 112 17.731 22.385 64.731 1.00 1.00 ATOM 140 CA GLN 113 14.313 22.351 63.036 1.00 1.00 ATOM 141 CA LEU 114 15.995 23.983 60.043 1.00 1.00 ATOM 142 CA PRO 115 17.424 20.610 59.033 1.00 1.00 ATOM 143 CA TYR 116 13.927 19.391 58.170 1.00 1.00 ATOM 144 CA GLN 117 13.017 22.718 56.556 1.00 1.00 ATOM 145 CA VAL 118 16.018 22.639 54.246 1.00 1.00 ATOM 146 CA ASP 119 15.758 18.966 53.293 1.00 1.00 ATOM 147 CA ALA 120 11.984 18.569 52.987 1.00 1.00 ATOM 148 CA ALA 121 10.847 22.011 51.869 1.00 1.00 ATOM 149 CA LEU 122 13.505 24.385 50.562 1.00 1.00 ATOM 150 CA ALA 123 15.572 22.001 48.447 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:03:07 2002 Date: Tue, 16 Jul 2002 19:03:02 -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 18:36:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_476457_12194 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0138SS389_1 Current information on models submitted in prediction T0138SS389 MODEL_INDEX PIN CODE DATE E-mail T0138SS389_1 PIN_476457_12194 1549-8716-6404 07/16/02 18:36:05 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 T0138 MODEL_INDEX PIN CODE DATE E-mail T0138SS389_1 PIN_476457_12194 1549-8716-6404 07/16/02 18:36:05 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 T0138 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: 135 # Number of residues with nonzero confidence: 135 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0138 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0138.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0138.t2k.stride-ebghtl.rdb (weight 1.24869) 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 preds/T0138.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0138 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 T0138.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 3 METHOD METHOD ============================================ METHOD Comments from preds/T0138.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0138 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 T0138.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 3 METHOD METHOD ============================================ MODEL 1 M C 0.97 L C 0.87 S C 0.83 Q C 0.58 I C 0.43 A E 0.60 I E 0.65 C E 0.68 I E 0.65 W E 0.61 V E 0.47 E C 0.72 S C 0.71 T H 0.82 A H 0.89 I H 0.92 L H 0.94 Q H 0.93 D H 0.93 C H 0.93 Q H 0.92 R H 0.90 A H 0.85 L H 0.73 S H 0.59 A C 0.49 D C 0.59 R H 0.74 Y H 0.73 Q H 0.77 L H 0.68 Q H 0.63 V H 0.63 C H 0.64 E H 0.61 S H 0.61 G H 0.84 E H 0.91 M H 0.93 L H 0.94 L H 0.95 E H 0.94 Y H 0.93 A H 0.91 Q H 0.85 T H 0.74 H C 0.57 R C 0.52 D C 0.59 Q C 0.55 I C 0.62 D E 0.54 C E 0.91 L E 0.94 I E 0.95 L E 0.93 V E 0.78 A E 0.49 A C 0.76 N C 0.82 P C 0.77 S C 0.68 F H 0.82 R H 0.95 A H 0.96 V H 0.96 V H 0.96 Q H 0.96 Q H 0.95 L H 0.94 C H 0.88 F H 0.73 E C 0.62 G C 0.84 V C 0.70 V E 0.70 V E 0.78 P E 0.84 A E 0.93 I E 0.94 V E 0.93 V E 0.83 G E 0.54 D C 0.79 R C 0.89 D C 0.86 S C 0.87 E C 0.85 D C 0.87 P C 0.86 D C 0.85 E C 0.88 P C 0.87 A C 0.86 K C 0.83 E C 0.82 Q C 0.73 L C 0.49 Y E 0.68 H E 0.75 S E 0.76 A E 0.84 E E 0.91 L E 0.91 H E 0.91 L E 0.70 G C 0.72 I H 0.63 H H 0.74 Q H 0.83 L H 0.87 E H 0.84 Q H 0.81 L H 0.68 P H 0.80 Y H 0.89 Q H 0.92 V H 0.96 D H 0.96 A H 0.97 A H 0.97 L H 0.96 A H 0.96 E H 0.94 F H 0.94 L H 0.89 R H 0.76 L H 0.68 A C 0.71 P C 0.64 V C 0.51 E C 0.54 T C 0.64 M C 0.83 A C 0.98 END ################################ # # # END # # # ################################