From mailer@bialko.llnl.gov Sat Jun 15 15:33:39 2002 Date: Sat, 15 Jun 2002 15:33:34 -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 Sat Jun 15 15:07:11 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_184548_10781 # (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 T0132 AUTHOR 2491-6940-1261 # Reading MODEL 1 K T 0.488 # ERROR! Check the line NB = 14 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0132 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 T0132.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 89 METHOD MODEL 1 M C 0.998 S C 0.764 A C 0.520 N C 0.487 F C 0.519 T C 0.552 D C 0.421 K C 0.473 N C 0.429 G E 0.403 R E 0.421 Q C 0.520 S C 0.458 K T 0.488 G S 0.363 V E 0.605 L E 0.933 L E 0.968 L E 0.959 R E 0.945 T E 0.914 L E 0.882 A E 0.787 M E 0.470 P C 0.349 S T 0.396 D G 0.334 T C 0.315 N C 0.435 A T 0.391 N T 0.560 G T 0.249 D H 0.358 I H 0.577 F H 0.761 G H 0.876 G H 0.933 W H 0.972 I H 0.974 M H 0.963 S H 0.961 Q H 0.964 M H 0.969 D H 0.980 M H 0.986 G H 0.992 G H 0.992 A H 0.994 I H 0.996 L H 0.996 A H 0.994 K H 0.985 E H 0.938 I H 0.818 A H 0.424 H T 0.328 G S 0.556 R C 0.496 V E 0.642 V E 0.943 T E 0.971 V E 0.972 A E 0.950 V E 0.853 E E 0.598 S E 0.635 M E 0.849 N E 0.927 F E 0.920 I E 0.852 K E 0.706 P E 0.764 I E 0.754 S E 0.602 V T 0.414 G T 0.745 D C 0.412 V E 0.782 V E 0.961 C E 0.988 C E 0.982 Y E 0.984 G E 0.978 Q E 0.981 C E 0.957 L E 0.926 K E 0.839 V E 0.452 G S 0.359 R S 0.489 S C 0.336 S E 0.838 I E 0.969 K E 0.991 I E 0.968 K E 0.984 V E 0.991 E E 0.994 V E 0.984 W E 0.955 V E 0.784 K E 0.399 K C 0.354 V C 0.276 A T 0.270 S C 0.313 E S 0.300 P T 0.371 I T 0.337 G C 0.357 E E 0.382 R E 0.658 Y E 0.810 C E 0.890 V E 0.902 T E 0.921 D E 0.937 A E 0.950 V E 0.972 F E 0.985 T E 0.986 F E 0.971 V E 0.963 A E 0.907 V E 0.825 D C 0.673 N T 0.875 N T 0.929 G S 0.640 R C 0.663 S E 0.367 R C 0.468 T C 0.443 I C 0.540 P C 0.728 R C 0.660 E C 0.549 N C 0.611 N C 0.716 Q C 0.733 E C 0.686 L C 0.764 E H 0.902 K H 0.921 A H 0.958 L H 0.977 A H 0.968 L H 0.957 I H 0.913 S H 0.817 E H 0.643 Q H 0.389 P C 0.556 L C 0.998 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Jun 15 15:34:08 2002 Date: Sat, 15 Jun 2002 15:34:02 -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 Sat Jun 15 15:07:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_185849_10782 # (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 T0132 AUTHOR 5144-8387-2760 # Reading MODEL 1 S T 0.586 # 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 T0132 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 T0132.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 89 METHOD MODEL 1 M C 0.804 S C 0.620 A C 0.550 N C 0.455 F C 0.482 T C 0.513 D C 0.441 K C 0.486 N C 0.363 G E 0.400 R C 0.472 Q C 0.522 S T 0.586 K T 0.750 G T 0.708 V E 0.571 L E 0.855 L E 0.949 L E 0.963 R E 0.945 T E 0.903 L E 0.871 A E 0.650 M C 0.450 P T 0.361 S G 0.438 D G 0.467 T T 0.343 N T 0.705 A T 0.791 N T 0.841 G T 0.730 D E 0.543 I E 0.700 F E 0.436 G H 0.420 G H 0.598 W H 0.976 I H 0.984 M H 0.990 S H 0.988 Q H 0.989 M H 0.992 D H 0.991 M H 0.997 G H 0.998 G H 0.998 A H 0.998 I H 0.998 L H 0.998 A H 0.996 K H 0.992 E H 0.979 I H 0.907 A T 0.471 H T 0.741 G T 0.713 R E 0.396 V E 0.868 V E 0.954 T E 0.977 V E 0.961 A E 0.914 V E 0.736 E T 0.468 S E 0.525 M E 0.831 N E 0.895 F E 0.911 I E 0.828 K E 0.854 P E 0.837 I E 0.713 S E 0.496 V T 0.782 G T 0.884 D E 0.554 V E 0.949 V E 0.990 C E 0.994 C E 0.994 Y E 0.987 G E 0.975 Q E 0.982 C E 0.970 L E 0.948 K E 0.869 V E 0.513 G T 0.654 R T 0.474 S E 0.697 S E 0.858 I E 0.969 K E 0.988 I E 0.990 K E 0.992 V E 0.988 E E 0.977 V E 0.931 W E 0.877 V E 0.736 K E 0.464 K T 0.423 V T 0.491 A T 0.494 S T 0.579 E T 0.601 P T 0.519 I T 0.504 G C 0.416 E E 0.357 R E 0.575 Y E 0.727 C E 0.793 V E 0.832 T E 0.840 D E 0.905 A E 0.950 V E 0.982 F E 0.990 T E 0.988 F E 0.977 V E 0.945 A E 0.858 V E 0.658 D T 0.759 N T 0.984 N T 0.987 G T 0.945 R C 0.609 S E 0.453 R C 0.435 T C 0.544 I C 0.635 P C 0.469 R C 0.467 E C 0.604 N C 0.650 N C 0.659 Q C 0.675 E C 0.821 L C 0.823 E H 0.912 K H 0.938 A H 0.954 L H 0.936 A H 0.908 L H 0.912 I H 0.842 S H 0.849 E H 0.745 Q C 0.455 P C 0.618 L C 0.927 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 2 10:34:50 2002 Date: Tue, 2 Jul 2002 10:34:45 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0132 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 2 10:07:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_190635_11356 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0132TS189_1 Current information on models submitted in prediction T0132TS189 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 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 T0132 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 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 T0132 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1BVQ_A # Loading PARENT structure: 1bvq (chain: A) # Number of residues in PARENT structure: 139 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue K 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 G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue L 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue M 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue S 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue W 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue M 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue N 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue P 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue C 80 # IMPORTANT NOTE! Not complete main chain atoms for residue C 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue W 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue C 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue T 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue N 127 # IMPORTANT NOTE! Not complete main chain atoms for residue N 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue S 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue N 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0132 # Total number of residues in target: 154 # Total number of residues in model: 127 # Total number of atoms in model: 127 # Number of atoms with 1.0 occupancy: 127 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 127 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0132 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1BVQ_A ATOM 2 CA LYS 14 26.061 38.092 17.136 1.00 1.00 ATOM 3 CA GLY 15 28.906 36.907 19.359 1.00 1.00 ATOM 4 CA VAL 16 29.362 33.373 17.940 1.00 1.00 ATOM 5 CA LEU 17 29.842 33.157 14.127 1.00 1.00 ATOM 6 CA LEU 18 29.773 30.020 11.990 1.00 1.00 ATOM 7 CA LEU 19 31.700 29.327 8.906 1.00 1.00 ATOM 8 CA ARG 20 32.001 26.299 6.609 1.00 1.00 ATOM 9 CA THR 21 34.952 25.217 4.674 1.00 1.00 ATOM 10 CA LEU 22 35.338 22.308 2.291 1.00 1.00 ATOM 11 CA ALA 23 38.617 20.432 2.261 1.00 1.00 ATOM 12 CA MET 24 40.183 19.870 -1.153 1.00 1.00 ATOM 13 CA PRO 25 42.619 17.395 -2.362 1.00 1.00 ATOM 14 CA SER 26 45.457 19.846 -2.580 1.00 1.00 ATOM 15 CA ASP 27 44.898 20.862 1.079 1.00 1.00 ATOM 16 CA THR 28 46.218 17.378 2.139 1.00 1.00 ATOM 17 CA ASN 29 49.718 15.955 2.417 1.00 1.00 ATOM 18 CA ALA 30 51.125 12.591 1.111 1.00 1.00 ATOM 19 CA ASN 31 49.917 11.133 4.364 1.00 1.00 ATOM 20 CA GLY 32 46.364 11.786 3.145 1.00 1.00 ATOM 21 CA ASP 33 45.339 14.225 5.880 1.00 1.00 ATOM 22 CA ILE 34 44.885 17.987 5.981 1.00 1.00 ATOM 23 CA PHE 35 48.260 19.590 6.104 1.00 1.00 ATOM 24 CA GLY 36 48.347 21.600 9.354 1.00 1.00 ATOM 25 CA GLY 37 49.301 25.039 8.101 1.00 1.00 ATOM 26 CA TRP 38 46.067 24.989 6.159 1.00 1.00 ATOM 27 CA ILE 39 44.057 25.140 9.280 1.00 1.00 ATOM 28 CA MET 40 45.669 28.580 10.009 1.00 1.00 ATOM 29 CA SER 41 44.540 29.776 6.616 1.00 1.00 ATOM 30 CA GLN 42 40.988 28.946 7.407 1.00 1.00 ATOM 31 CA MET 43 41.072 30.409 10.880 1.00 1.00 ATOM 32 CA ASP 44 42.475 33.630 9.377 1.00 1.00 ATOM 33 CA MET 45 39.495 33.716 7.066 1.00 1.00 ATOM 34 CA GLY 46 37.235 32.836 9.953 1.00 1.00 ATOM 35 CA GLY 47 38.553 35.646 12.030 1.00 1.00 ATOM 36 CA ALA 48 37.994 38.168 9.342 1.00 1.00 ATOM 37 CA ILE 49 34.636 36.688 8.493 1.00 1.00 ATOM 38 CA LEU 50 33.578 37.301 12.118 1.00 1.00 ATOM 39 CA ALA 51 33.926 41.113 12.029 1.00 1.00 ATOM 40 CA LYS 52 32.362 41.398 8.648 1.00 1.00 ATOM 41 CA GLU 53 29.418 39.278 9.761 1.00 1.00 ATOM 42 CA ILE 54 29.285 41.505 12.846 1.00 1.00 ATOM 43 CA ALA 55 28.950 44.671 10.797 1.00 1.00 ATOM 44 CA HIS 56 32.453 45.946 10.448 1.00 1.00 ATOM 45 CA GLY 57 33.443 47.459 7.109 1.00 1.00 ATOM 46 CA ARG 58 36.068 45.828 4.924 1.00 1.00 ATOM 59 CA VAL 59 44.107 42.553 13.080 1.00 1.00 ATOM 60 CA VAL 60 47.547 40.956 13.114 1.00 1.00 ATOM 61 CA THR 61 48.125 38.021 15.318 1.00 1.00 ATOM 62 CA VAL 62 50.261 38.320 18.478 1.00 1.00 ATOM 63 CA ALA 63 49.824 34.929 19.963 1.00 1.00 ATOM 64 CA VAL 64 47.909 31.784 19.627 1.00 1.00 ATOM 65 CA SER 66 47.345 28.422 21.163 1.00 1.00 ATOM 66 CA MET 67 45.880 25.440 19.260 1.00 1.00 ATOM 67 CA ASN 68 45.185 21.782 20.039 1.00 1.00 ATOM 68 CA PHE 69 44.368 19.244 17.332 1.00 1.00 ATOM 69 CA ILE 70 42.472 16.355 18.506 1.00 1.00 ATOM 70 CA LYS 71 41.309 14.499 15.352 1.00 1.00 ATOM 71 CA PRO 72 42.447 14.154 11.641 1.00 1.00 ATOM 72 CA ILE 73 40.621 15.443 8.593 1.00 1.00 ATOM 73 CA SER 74 40.796 14.787 4.850 1.00 1.00 ATOM 74 CA VAL 75 39.524 15.829 1.443 1.00 1.00 ATOM 75 CA GLY 76 35.826 15.883 0.885 1.00 1.00 ATOM 76 CA ASP 77 35.217 16.511 4.568 1.00 1.00 ATOM 77 CA VAL 78 33.533 19.748 5.507 1.00 1.00 ATOM 78 CA VAL 79 34.510 21.783 8.416 1.00 1.00 ATOM 79 CA CYS 80 32.397 23.868 10.558 1.00 1.00 ATOM 80 CA CYS 81 34.131 26.810 12.166 1.00 1.00 ATOM 81 CA TYR 82 32.661 28.527 15.207 1.00 1.00 ATOM 82 CA GLY 83 34.211 31.837 16.180 1.00 1.00 ATOM 83 CA GLN 84 33.515 34.353 19.015 1.00 1.00 ATOM 84 CA CYS 85 35.408 36.983 20.966 1.00 1.00 ATOM 85 CA LEU 86 36.398 35.389 24.291 1.00 1.00 ATOM 86 CA LYS 87 37.881 38.417 25.935 1.00 1.00 ATOM 87 CA VAL 88 38.574 42.018 25.318 1.00 1.00 ATOM 88 CA GLY 89 41.746 43.463 26.743 1.00 1.00 ATOM 89 CA ARG 90 42.890 47.077 26.381 1.00 1.00 ATOM 90 CA SER 91 44.387 47.090 22.825 1.00 1.00 ATOM 91 CA SER 92 43.898 43.413 22.047 1.00 1.00 ATOM 92 CA ILE 93 41.297 40.687 22.104 1.00 1.00 ATOM 93 CA LYS 94 41.078 36.918 22.484 1.00 1.00 ATOM 94 CA ILE 95 39.514 35.200 19.405 1.00 1.00 ATOM 95 CA LYS 96 38.259 31.684 20.023 1.00 1.00 ATOM 96 CA VAL 97 37.760 29.054 17.332 1.00 1.00 ATOM 97 CA GLU 98 36.327 25.631 17.649 1.00 1.00 ATOM 98 CA VAL 99 36.640 23.503 14.474 1.00 1.00 ATOM 99 CA TRP 100 34.517 20.436 13.866 1.00 1.00 ATOM 100 CA VAL 101 34.824 17.857 11.006 1.00 1.00 ATOM 101 CA LYS 102 31.911 16.201 9.281 1.00 1.00 ATOM 102 CA LYS 103 32.953 13.097 7.408 1.00 1.00 ATOM 103 CA VAL 104 31.187 11.533 4.553 1.00 1.00 ATOM 104 CA ALA 105 28.582 9.428 6.203 1.00 1.00 ATOM 105 CA SER 106 27.780 12.314 8.556 1.00 1.00 ATOM 106 CA GLY 110 30.310 11.559 11.314 1.00 1.00 ATOM 107 CA GLU 111 30.978 14.627 13.518 1.00 1.00 ATOM 108 CA ARG 112 34.114 15.054 15.611 1.00 1.00 ATOM 109 CA TYR 113 35.811 18.076 17.054 1.00 1.00 ATOM 110 CA CYS 114 38.892 18.615 14.993 1.00 1.00 ATOM 111 CA VAL 115 40.596 21.493 16.554 1.00 1.00 ATOM 112 CA THR 116 40.413 24.298 19.031 1.00 1.00 ATOM 113 CA ASP 117 42.451 27.459 18.958 1.00 1.00 ATOM 114 CA ALA 118 42.747 30.713 20.759 1.00 1.00 ATOM 115 CA VAL 119 44.144 33.586 18.777 1.00 1.00 ATOM 116 CA PHE 120 45.280 36.748 20.456 1.00 1.00 ATOM 117 CA THR 121 45.013 39.606 17.954 1.00 1.00 ATOM 118 CA PHE 122 45.103 43.401 17.824 1.00 1.00 ATOM 119 CA VAL 123 43.698 46.201 15.770 1.00 1.00 ATOM 120 CA ALA 124 46.572 47.820 13.986 1.00 1.00 ATOM 121 CA VAL 125 47.689 50.638 11.818 1.00 1.00 ATOM 122 CA ASP 126 50.706 51.529 9.807 1.00 1.00 ATOM 123 CA ASN 127 52.978 53.459 12.110 1.00 1.00 ATOM 124 CA ASN 128 55.650 54.923 9.872 1.00 1.00 ATOM 125 CA GLY 129 58.067 51.967 9.609 1.00 1.00 ATOM 126 CA ARG 130 55.992 49.262 11.213 1.00 1.00 ATOM 127 CA SER 131 52.534 48.424 12.443 1.00 1.00 ATOM 128 CA ARG 132 51.089 49.765 15.644 1.00 1.00 ATOM 129 CA THR 133 48.259 48.471 17.856 1.00 1.00 ATOM 130 CA ILE 134 45.461 50.533 18.978 1.00 1.00 ATOM 131 CA PRO 135 42.728 50.576 21.439 1.00 1.00 ATOM 132 CA ASN 139 39.824 48.671 20.088 1.00 1.00 ATOM 133 CA GLN 140 37.387 51.236 18.616 1.00 1.00 ATOM 134 CA GLU 141 34.282 51.598 20.607 1.00 1.00 ATOM 135 CA LEU 142 32.052 51.087 17.583 1.00 1.00 ATOM 136 CA GLU 143 33.783 47.723 17.079 1.00 1.00 ATOM 137 CA LYS 144 33.091 46.609 20.659 1.00 1.00 ATOM 138 CA ALA 145 29.553 47.788 20.160 1.00 1.00 ATOM 139 CA LEU 146 29.119 45.811 16.913 1.00 1.00 ATOM 140 CA ALA 147 30.640 42.569 18.242 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 2 10:35:11 2002 Date: Tue, 2 Jul 2002 10:35:06 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0132 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 2 10:07:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_192298_11358 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0132TS189_2 Current information on models submitted in prediction T0132TS189 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 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 T0132 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 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 T0132 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1C8U_A # Loading PARENT structure: 1c8u (chain: A) # Number of residues in PARENT structure: 285 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue S 2 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue K 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue R 11 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue L 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue M 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue S 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue W 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue M 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue N 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue P 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue C 80 # IMPORTANT NOTE! Not complete main chain atoms for residue C 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue W 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue C 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue T 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0132 # Total number of residues in target: 154 # Total number of residues in model: 110 # Total number of atoms in model: 110 # Number of atoms with 1.0 occupancy: 110 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 110 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0132 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1C8U_A ATOM 2 CA SER 2 23.403 26.039 57.886 1.00 1.00 ATOM 3 CA ALA 3 25.266 25.679 61.168 1.00 1.00 ATOM 4 CA ASN 4 27.277 28.846 60.515 1.00 1.00 ATOM 5 CA PHE 5 24.085 30.878 60.075 1.00 1.00 ATOM 6 CA THR 6 22.565 29.281 63.172 1.00 1.00 ATOM 12 CA ASP 7 23.529 37.962 67.837 1.00 1.00 ATOM 13 CA LYS 8 20.744 36.894 70.203 1.00 1.00 ATOM 14 CA ASN 9 22.230 38.592 73.278 1.00 1.00 ATOM 15 CA GLY 10 22.173 37.404 76.893 1.00 1.00 ATOM 16 CA ARG 11 20.160 39.774 79.101 1.00 1.00 ATOM 17 CA GLN 12 21.929 40.914 82.281 1.00 1.00 ATOM 18 CA SER 13 19.288 43.534 83.103 1.00 1.00 ATOM 19 CA LYS 14 16.885 45.921 81.380 1.00 1.00 ATOM 20 CA GLY 15 18.863 47.518 78.562 1.00 1.00 ATOM 21 CA VAL 16 21.943 45.595 79.672 1.00 1.00 ATOM 22 CA THR 21 23.287 42.717 77.608 1.00 1.00 ATOM 23 CA LEU 22 26.245 40.456 77.095 1.00 1.00 ATOM 24 CA ALA 23 27.395 39.150 73.743 1.00 1.00 ATOM 25 CA MET 24 29.877 36.473 72.812 1.00 1.00 ATOM 26 CA PRO 25 32.337 37.051 69.964 1.00 1.00 ATOM 27 CA SER 26 32.826 35.059 66.760 1.00 1.00 ATOM 28 CA ASP 27 35.348 32.239 66.609 1.00 1.00 ATOM 29 CA THR 28 35.097 32.682 62.888 1.00 1.00 ATOM 30 CA ASN 29 38.275 34.024 61.405 1.00 1.00 ATOM 31 CA ASN 31 40.529 36.962 62.664 1.00 1.00 ATOM 32 CA GLY 32 41.521 37.630 66.213 1.00 1.00 ATOM 33 CA ASP 33 39.997 41.157 66.208 1.00 1.00 ATOM 34 CA ILE 34 36.223 41.429 66.460 1.00 1.00 ATOM 35 CA PHE 35 34.468 41.881 63.136 1.00 1.00 ATOM 36 CA GLY 36 32.729 45.256 63.055 1.00 1.00 ATOM 37 CA GLY 37 29.602 43.602 61.710 1.00 1.00 ATOM 38 CA TRP 38 29.301 41.540 64.892 1.00 1.00 ATOM 39 CA ILE 39 29.289 44.671 67.051 1.00 1.00 ATOM 40 CA MET 40 26.811 46.460 64.786 1.00 1.00 ATOM 41 CA SER 41 24.497 43.462 64.699 1.00 1.00 ATOM 42 CA GLN 42 24.654 42.904 68.454 1.00 1.00 ATOM 43 CA MET 43 24.189 46.606 69.250 1.00 1.00 ATOM 44 CA ASP 44 21.064 46.694 67.080 1.00 1.00 ATOM 45 CA MET 45 19.634 43.670 68.860 1.00 1.00 ATOM 46 CA GLY 46 20.267 45.349 72.209 1.00 1.00 ATOM 47 CA GLY 47 18.659 48.583 71.077 1.00 1.00 ATOM 48 CA LYS 52 15.599 46.953 69.544 1.00 1.00 ATOM 49 CA GLU 53 14.954 45.017 72.769 1.00 1.00 ATOM 50 CA ILE 54 14.324 48.331 74.560 1.00 1.00 ATOM 51 CA ALA 55 11.987 49.668 71.887 1.00 1.00 ATOM 52 CA HIS 56 8.199 49.357 71.406 1.00 1.00 ATOM 53 CA GLY 57 7.529 46.332 69.192 1.00 1.00 ATOM 54 CA ARG 58 5.897 48.215 66.303 1.00 1.00 ATOM 224 CA VAL 59 48.481 47.536 54.983 1.00 1.00 ATOM 225 CA VAL 60 46.171 48.712 57.761 1.00 1.00 ATOM 226 CA THR 61 42.521 49.667 57.433 1.00 1.00 ATOM 227 CA VAL 62 40.133 50.132 60.346 1.00 1.00 ATOM 228 CA ALA 63 36.540 51.337 60.565 1.00 1.00 ATOM 229 CA VAL 64 36.083 54.714 62.233 1.00 1.00 ATOM 230 CA GLU 65 32.339 55.136 61.684 1.00 1.00 ATOM 232 CA SER 66 26.031 54.422 59.469 1.00 1.00 ATOM 233 CA MET 67 22.950 52.929 57.861 1.00 1.00 ATOM 234 CA ASN 68 19.398 53.843 56.832 1.00 1.00 ATOM 235 CA PHE 69 16.782 51.119 56.373 1.00 1.00 ATOM 236 CA ILE 70 14.494 52.502 53.677 1.00 1.00 ATOM 237 CA LYS 71 12.276 49.466 53.052 1.00 1.00 ATOM 238 CA PRO 72 11.457 45.926 54.263 1.00 1.00 ATOM 239 CA ILE 73 13.422 43.061 52.735 1.00 1.00 ATOM 240 CA SER 74 14.021 39.319 52.936 1.00 1.00 ATOM 241 CA VAL 75 17.649 38.243 53.468 1.00 1.00 ATOM 242 CA GLY 76 16.623 34.713 52.472 1.00 1.00 ATOM 243 CA ASP 77 16.600 36.171 48.965 1.00 1.00 ATOM 244 CA VAL 78 19.445 37.857 47.040 1.00 1.00 ATOM 245 CA VAL 79 20.476 41.436 47.716 1.00 1.00 ATOM 246 CA CYS 80 22.906 43.440 45.629 1.00 1.00 ATOM 247 CA CYS 81 25.350 45.495 47.685 1.00 1.00 ATOM 248 CA TYR 82 26.499 48.277 45.386 1.00 1.00 ATOM 249 CA GLY 83 29.491 50.122 46.841 1.00 1.00 ATOM 250 CA GLN 84 31.562 53.146 45.803 1.00 1.00 ATOM 251 CA CYS 85 34.498 55.052 47.316 1.00 1.00 ATOM 252 CA LEU 86 34.056 58.703 46.413 1.00 1.00 ATOM 253 CA LYS 87 37.138 59.773 48.343 1.00 1.00 ATOM 254 CA VAL 88 40.357 58.953 50.173 1.00 1.00 ATOM 255 CA GLY 89 42.673 61.462 51.850 1.00 1.00 ATOM 256 CA ARG 90 44.616 62.130 55.056 1.00 1.00 ATOM 257 CA SER 91 45.086 58.417 55.709 1.00 1.00 ATOM 258 CA SER 92 41.313 57.850 55.566 1.00 1.00 ATOM 259 CA ILE 93 39.036 55.998 53.138 1.00 1.00 ATOM 260 CA LYS 94 35.368 56.882 52.525 1.00 1.00 ATOM 261 CA ILE 95 32.688 54.532 51.168 1.00 1.00 ATOM 262 CA LYS 96 28.958 54.678 50.416 1.00 1.00 ATOM 263 CA VAL 97 26.772 51.651 49.767 1.00 1.00 ATOM 264 CA GLU 98 23.260 50.678 48.724 1.00 1.00 ATOM 265 CA VAL 99 21.368 47.385 48.984 1.00 1.00 ATOM 266 CA TRP 100 18.895 46.432 46.250 1.00 1.00 ATOM 267 CA VAL 101 16.582 43.450 45.781 1.00 1.00 ATOM 268 CA LYS 102 17.114 41.609 42.504 1.00 1.00 ATOM 269 CA LYS 103 13.897 43.244 41.281 1.00 1.00 ATOM 270 CA GLY 110 15.455 46.661 41.840 1.00 1.00 ATOM 271 CA GLU 111 13.965 47.813 45.145 1.00 1.00 ATOM 272 CA ARG 112 16.311 50.100 47.116 1.00 1.00 ATOM 273 CA TYR 113 16.366 48.573 50.600 1.00 1.00 ATOM 274 CA CYS 114 19.119 50.376 52.497 1.00 1.00 ATOM 275 CA VAL 115 22.002 52.831 52.281 1.00 1.00 ATOM 276 CA THR 116 25.303 52.794 54.153 1.00 1.00 ATOM 277 CA ASP 117 28.231 55.125 54.715 1.00 1.00 ATOM 278 CA ALA 118 31.563 54.459 56.377 1.00 1.00 ATOM 279 CA VAL 119 34.948 56.095 56.786 1.00 1.00 ATOM 280 CA PHE 120 37.995 54.253 58.012 1.00 1.00 ATOM 281 CA THR 121 41.709 54.531 58.576 1.00 1.00 ATOM 282 CA PHE 122 43.817 53.439 55.606 1.00 1.00 ATOM 283 CA VAL 123 47.572 53.272 56.122 1.00 1.00 ATOM 284 CA ALA 124 50.485 51.633 54.349 1.00 1.00 ATOM 285 CA VAL 125 53.183 51.127 56.990 1.00 1.00 ATOM 286 CA ASP 126 56.288 51.549 54.774 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 2 10:35:22 2002 Date: Tue, 2 Jul 2002 10:35:16 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0132 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 Jul 2 10:07:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_195139_11359 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0132TS189_3 Current information on models submitted in prediction T0132TS189 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_3 PIN_195139_11359 5035-2079-5263 07/02/02 10:07:45 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 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 T0132 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_3 PIN_195139_11359 5035-2079-5263 07/02/02 10:07:45 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 T0132 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1BZY_A # Loading PARENT structure: 1bzy (chain: A) # Number of residues in PARENT structure: 214 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 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 F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue K 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue R 11 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue L 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue M 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue S 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue W 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue M 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue P 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue C 80 # IMPORTANT NOTE! Not complete main chain atoms for residue C 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue W 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue C 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue T 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue N 127 # IMPORTANT NOTE! Not complete main chain atoms for residue N 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue S 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue N 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0132 # Total number of residues in target: 154 # Total number of residues in model: 130 # Total number of atoms in model: 130 # Number of atoms with 1.0 occupancy: 130 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 130 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0132 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1BZY_A ATOM 4 CA ASN 4 24.261 85.667 58.285 1.00 1.00 ATOM 5 CA PHE 5 21.819 83.052 56.880 1.00 1.00 ATOM 6 CA THR 6 18.867 84.818 58.461 1.00 1.00 ATOM 7 CA ASP 7 16.205 83.268 60.664 1.00 1.00 ATOM 8 CA LYS 8 16.084 79.624 59.587 1.00 1.00 ATOM 9 CA ASN 9 12.569 78.206 59.665 1.00 1.00 ATOM 10 CA GLY 10 12.517 74.412 59.920 1.00 1.00 ATOM 11 CA ARG 11 10.777 72.043 57.518 1.00 1.00 ATOM 12 CA GLN 12 8.141 70.958 60.020 1.00 1.00 ATOM 13 CA SER 13 7.517 74.512 61.292 1.00 1.00 ATOM 14 CA LYS 14 3.818 74.516 62.316 1.00 1.00 ATOM 15 CA GLY 15 3.030 78.214 61.983 1.00 1.00 ATOM 16 CA VAL 16 0.038 79.495 63.967 1.00 1.00 ATOM 17 CA LEU 17 -3.691 78.868 64.148 1.00 1.00 ATOM 18 CA LEU 18 -5.362 81.823 62.395 1.00 1.00 ATOM 19 CA LEU 19 -7.575 82.233 65.489 1.00 1.00 ATOM 20 CA ARG 20 -4.631 83.645 67.428 1.00 1.00 ATOM 21 CA THR 21 -4.181 86.659 65.143 1.00 1.00 ATOM 22 CA LEU 22 -6.212 89.307 63.336 1.00 1.00 ATOM 23 CA ALA 23 -6.652 88.401 59.670 1.00 1.00 ATOM 24 CA MET 24 -8.662 90.027 56.821 1.00 1.00 ATOM 25 CA PRO 25 -12.249 88.798 56.803 1.00 1.00 ATOM 26 CA SER 26 -12.172 88.125 53.055 1.00 1.00 ATOM 27 CA ASP 27 -9.333 85.615 53.529 1.00 1.00 ATOM 28 CA THR 28 -10.793 83.738 56.512 1.00 1.00 ATOM 29 CA ASN 29 -11.208 80.484 54.574 1.00 1.00 ATOM 30 CA ALA 30 -8.339 80.962 52.105 1.00 1.00 ATOM 31 CA ASN 31 -5.401 80.543 54.503 1.00 1.00 ATOM 32 CA GLY 32 -4.121 77.549 56.479 1.00 1.00 ATOM 33 CA ASP 33 -1.756 79.048 59.053 1.00 1.00 ATOM 34 CA ILE 34 0.098 82.238 59.889 1.00 1.00 ATOM 35 CA PHE 35 3.670 81.375 58.906 1.00 1.00 ATOM 38 CA GLY 36 4.080 90.699 60.603 1.00 1.00 ATOM 39 CA GLY 37 5.711 91.814 63.843 1.00 1.00 ATOM 40 CA TRP 38 8.409 89.170 63.474 1.00 1.00 ATOM 41 CA ILE 39 9.141 90.409 59.930 1.00 1.00 ATOM 42 CA MET 40 9.446 93.949 61.297 1.00 1.00 ATOM 43 CA SER 41 11.820 92.877 64.071 1.00 1.00 ATOM 44 CA GLN 42 14.032 91.032 61.598 1.00 1.00 ATOM 45 CA MET 43 13.913 93.895 59.118 1.00 1.00 ATOM 46 CA ASP 44 15.061 96.326 61.825 1.00 1.00 ATOM 47 CA MET 45 18.259 94.307 62.256 1.00 1.00 ATOM 48 CA GLY 46 18.635 93.934 58.476 1.00 1.00 ATOM 49 CA GLY 47 18.607 97.732 58.147 1.00 1.00 ATOM 50 CA ALA 48 21.405 98.039 60.724 1.00 1.00 ATOM 51 CA ILE 49 23.342 95.379 58.799 1.00 1.00 ATOM 52 CA LEU 50 22.820 97.267 55.551 1.00 1.00 ATOM 53 CA ALA 51 23.982 100.461 57.270 1.00 1.00 ATOM 54 CA LYS 52 27.029 98.635 58.599 1.00 1.00 ATOM 55 CA GLU 53 27.985 97.462 55.106 1.00 1.00 ATOM 56 CA ILE 54 27.037 100.480 52.976 1.00 1.00 ATOM 57 CA ALA 55 26.403 103.209 55.519 1.00 1.00 ATOM 58 CA HIS 56 29.360 105.275 54.411 1.00 1.00 ATOM 59 CA GLY 57 27.872 105.884 50.979 1.00 1.00 ATOM 60 CA ARG 58 25.146 107.153 48.692 1.00 1.00 ATOM 93 CA PRO 72 21.450 109.206 51.557 1.00 1.00 ATOM 94 CA ILE 73 19.262 107.049 49.302 1.00 1.00 ATOM 95 CA SER 74 17.568 107.567 45.956 1.00 1.00 ATOM 96 CA VAL 75 14.796 105.085 45.221 1.00 1.00 ATOM 97 CA ASP 77 14.017 103.198 42.020 1.00 1.00 ATOM 98 CA VAL 78 11.560 100.501 40.950 1.00 1.00 ATOM 99 CA VAL 79 11.644 97.619 38.449 1.00 1.00 ATOM 100 CA CYS 80 8.849 95.168 37.749 1.00 1.00 ATOM 101 CA CYS 81 9.644 91.578 36.816 1.00 1.00 ATOM 102 CA TYR 82 6.957 88.920 36.294 1.00 1.00 ATOM 103 CA GLY 83 7.261 85.156 35.887 1.00 1.00 ATOM 104 CA GLN 84 4.844 83.231 38.132 1.00 1.00 ATOM 105 CA CYS 85 1.514 81.578 37.402 1.00 1.00 ATOM 106 CA LEU 86 -0.277 80.207 40.469 1.00 1.00 ATOM 107 CA SER 91 2.656 78.857 42.502 1.00 1.00 ATOM 108 CA SER 92 4.771 78.114 39.447 1.00 1.00 ATOM 109 CA ILE 93 7.677 79.873 37.735 1.00 1.00 ATOM 110 CA LYS 94 7.221 79.908 33.956 1.00 1.00 ATOM 111 CA ILE 95 10.987 80.318 33.805 1.00 1.00 ATOM 112 CA LYS 96 10.308 83.176 31.382 1.00 1.00 ATOM 113 CA VAL 97 10.914 86.465 33.192 1.00 1.00 ATOM 114 CA GLU 98 9.276 89.577 31.762 1.00 1.00 ATOM 115 CA VAL 99 10.649 93.061 32.473 1.00 1.00 ATOM 116 CA TRP 100 7.503 95.171 32.578 1.00 1.00 ATOM 117 CA VAL 101 9.230 98.382 33.570 1.00 1.00 ATOM 118 CA LYS 102 12.681 99.382 34.771 1.00 1.00 ATOM 119 CA LYS 103 14.948 100.260 31.808 1.00 1.00 ATOM 120 CA VAL 104 16.053 103.165 34.059 1.00 1.00 ATOM 121 CA ALA 105 18.974 100.857 34.922 1.00 1.00 ATOM 122 CA SER 106 21.337 102.963 32.805 1.00 1.00 ATOM 123 CA GLU 107 21.300 105.489 35.638 1.00 1.00 ATOM 124 CA PRO 108 22.943 102.864 37.871 1.00 1.00 ATOM 125 CA ILE 109 26.381 103.307 36.311 1.00 1.00 ATOM 126 CA GLY 110 28.986 103.906 38.990 1.00 1.00 ATOM 127 CA GLU 111 26.440 103.715 41.811 1.00 1.00 ATOM 128 CA ARG 112 26.077 101.511 44.875 1.00 1.00 ATOM 129 CA TYR 113 22.918 99.481 44.303 1.00 1.00 ATOM 130 CA CYS 114 20.802 97.769 46.953 1.00 1.00 ATOM 131 CA VAL 115 18.278 95.461 45.343 1.00 1.00 ATOM 132 CA THR 116 15.316 94.737 47.629 1.00 1.00 ATOM 133 CA ASP 117 13.302 91.615 46.840 1.00 1.00 ATOM 134 CA ALA 118 10.608 89.503 48.505 1.00 1.00 ATOM 135 CA VAL 119 11.938 85.988 48.009 1.00 1.00 ATOM 136 CA PHE 120 14.545 83.883 46.200 1.00 1.00 ATOM 162 CA THR 121 13.242 88.995 52.917 1.00 1.00 ATOM 163 CA PHE 122 13.002 85.247 52.272 1.00 1.00 ATOM 164 CA VAL 123 15.101 82.466 50.735 1.00 1.00 ATOM 165 CA ALA 124 13.345 79.173 49.959 1.00 1.00 ATOM 166 CA VAL 125 14.984 75.798 50.571 1.00 1.00 ATOM 167 CA ASP 126 14.013 74.029 47.350 1.00 1.00 ATOM 168 CA ASN 127 15.587 71.425 45.058 1.00 1.00 ATOM 169 CA ASN 128 14.604 73.688 42.150 1.00 1.00 ATOM 170 CA GLY 129 16.896 76.369 43.592 1.00 1.00 ATOM 178 CA ARG 130 18.379 87.508 54.211 1.00 1.00 ATOM 179 CA SER 131 15.433 87.837 56.539 1.00 1.00 ATOM 180 CA ARG 132 14.185 84.252 56.807 1.00 1.00 ATOM 181 CA THR 133 15.081 80.952 55.178 1.00 1.00 ATOM 182 CA ILE 134 11.868 78.985 54.717 1.00 1.00 ATOM 201 CA PRO 135 -2.312 90.802 54.058 1.00 1.00 ATOM 202 CA ARG 136 0.151 91.743 56.793 1.00 1.00 ATOM 203 CA GLU 137 1.323 88.288 57.878 1.00 1.00 ATOM 204 CA ASN 138 3.153 85.787 55.686 1.00 1.00 ATOM 205 CA ASN 139 0.823 82.766 55.639 1.00 1.00 ATOM 206 CA GLN 140 0.389 79.389 53.988 1.00 1.00 ATOM 207 CA GLU 141 -2.535 79.014 51.552 1.00 1.00 ATOM 208 CA LEU 142 -5.474 76.717 52.348 1.00 1.00 ATOM 209 CA GLU 143 -6.741 74.157 49.819 1.00 1.00 ATOM 210 CA LYS 144 -9.923 76.155 49.334 1.00 1.00 ATOM 211 CA ALA 145 -7.883 79.302 48.766 1.00 1.00 ATOM 212 CA LEU 146 -5.766 77.672 46.071 1.00 1.00 ATOM 213 CA ALA 147 -8.871 76.507 44.177 1.00 1.00 ATOM 214 CA LEU 148 -10.803 79.754 44.538 1.00 1.00 ATOM 215 CA ILE 149 -7.899 81.927 43.387 1.00 1.00 ATOM 216 CA SER 150 -6.325 79.553 40.860 1.00 1.00 ATOM 217 CA GLU 151 -5.522 80.919 37.384 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 2 10:36:18 2002 Date: Tue, 2 Jul 2002 10:36:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0132 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 Tue Jul 2 10:08:13 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_199797_11361 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0132TS189_4 Current information on models submitted in prediction T0132TS189 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_4 PIN_199797_11361 5035-2079-5263 07/02/02 10:08:13 casp5@bialko.llnl.gov T0132TS189_3 PIN_195139_11359 5035-2079-5263 07/02/02 10:07:45 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 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 T0132 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_3 PIN_195139_11359 5035-2079-5263 07/02/02 10:07:45 casp5@bialko.llnl.gov T0132TS189_4 PIN_199797_11361 5035-2079-5263 07/02/02 10:08:13 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0132 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1LYL_A # Loading PARENT structure: 1lyl (chain: A) # Number of residues in PARENT structure: 482 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue W 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue M 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue W 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 102 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue C 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue T 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue N 127 # IMPORTANT NOTE! Not complete main chain atoms for residue N 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue S 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0132 # Total number of residues in target: 154 # Total number of residues in model: 98 # Total number of atoms in model: 98 # Number of atoms with 1.0 occupancy: 98 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 98 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0132 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1LYL_A ATOM 64 CA ALA 30 114.364 14.259 42.480 1.00 1.00 ATOM 65 CA ASN 31 113.215 17.754 41.614 1.00 1.00 ATOM 66 CA GLY 32 116.562 19.347 40.760 1.00 1.00 ATOM 67 CA ASP 33 116.367 23.123 40.558 1.00 1.00 ATOM 68 CA ILE 34 118.795 25.950 40.002 1.00 1.00 ATOM 69 CA PHE 35 118.304 29.320 41.639 1.00 1.00 ATOM 70 CA GLY 36 120.455 32.426 41.937 1.00 1.00 ATOM 71 CA GLY 37 120.404 35.459 44.171 1.00 1.00 ATOM 72 CA TRP 38 122.092 37.260 47.029 1.00 1.00 ATOM 73 CA ILE 39 123.618 35.428 49.991 1.00 1.00 ATOM 74 CA MET 40 121.913 37.025 52.963 1.00 1.00 ATOM 75 CA SER 41 122.841 34.693 55.852 1.00 1.00 ATOM 76 CA GLN 42 125.159 31.757 56.499 1.00 1.00 ATOM 77 CA MET 43 125.923 29.347 59.347 1.00 1.00 ATOM 78 CA ASP 44 129.017 27.232 58.729 1.00 1.00 ATOM 79 CA MET 45 129.210 24.240 61.008 1.00 1.00 ATOM 80 CA GLY 46 132.226 22.500 59.537 1.00 1.00 ATOM 81 CA GLY 47 131.521 20.340 56.471 1.00 1.00 ATOM 82 CA ALA 48 127.966 21.670 56.292 1.00 1.00 ATOM 83 CA ILE 49 126.422 25.126 56.162 1.00 1.00 ATOM 84 CA LEU 50 122.959 26.564 55.846 1.00 1.00 ATOM 112 CA ALA 51 132.431 28.635 49.475 1.00 1.00 ATOM 113 CA LYS 52 133.954 29.279 52.881 1.00 1.00 ATOM 114 CA GLU 53 135.833 32.245 51.430 1.00 1.00 ATOM 115 CA ILE 54 132.708 34.044 50.119 1.00 1.00 ATOM 116 CA ALA 55 131.103 37.000 51.920 1.00 1.00 ATOM 117 CA HIS 56 127.510 37.866 52.751 1.00 1.00 ATOM 118 CA GLY 57 126.162 40.097 50.016 1.00 1.00 ATOM 119 CA ARG 58 127.834 38.043 47.305 1.00 1.00 ATOM 120 CA VAL 59 125.536 37.016 44.422 1.00 1.00 ATOM 121 CA VAL 60 125.672 33.243 43.945 1.00 1.00 ATOM 122 CA THR 61 124.101 30.575 41.763 1.00 1.00 ATOM 123 CA VAL 62 123.123 27.124 42.993 1.00 1.00 ATOM 124 CA ALA 63 121.798 23.835 41.681 1.00 1.00 ATOM 230 CA GLY 83 116.070 78.777 19.951 1.00 1.00 ATOM 231 CA GLN 84 112.572 78.211 21.348 1.00 1.00 ATOM 232 CA CYS 85 111.907 78.263 25.096 1.00 1.00 ATOM 233 CA LEU 86 109.715 75.356 26.093 1.00 1.00 ATOM 234 CA LYS 87 107.892 74.414 29.255 1.00 1.00 ATOM 235 CA VAL 88 107.609 71.088 30.957 1.00 1.00 ATOM 236 CA GLY 89 104.002 69.904 31.086 1.00 1.00 ATOM 237 CA ARG 90 102.035 70.958 34.174 1.00 1.00 ATOM 238 CA SER 91 99.004 69.016 32.880 1.00 1.00 ATOM 239 CA SER 92 98.126 67.150 29.623 1.00 1.00 ATOM 240 CA ILE 93 94.552 68.531 29.646 1.00 1.00 ATOM 241 CA LYS 94 94.384 70.864 26.677 1.00 1.00 ATOM 242 CA ILE 95 96.007 68.264 24.436 1.00 1.00 ATOM 243 CA LYS 96 93.764 65.412 25.559 1.00 1.00 ATOM 244 CA VAL 97 90.706 67.555 24.874 1.00 1.00 ATOM 245 CA GLU 98 92.060 68.328 21.411 1.00 1.00 ATOM 246 CA VAL 99 91.803 64.556 20.766 1.00 1.00 ATOM 247 CA TRP 100 88.129 64.578 21.764 1.00 1.00 ATOM 248 CA VAL 101 87.491 67.272 19.146 1.00 1.00 ATOM 249 CA LYS 102 89.274 64.980 16.714 1.00 1.00 ATOM 250 CA LYS 103 87.041 62.018 17.472 1.00 1.00 ATOM 251 CA VAL 104 88.775 59.987 20.197 1.00 1.00 ATOM 252 CA GLU 111 85.727 60.223 22.451 1.00 1.00 ATOM 253 CA ARG 112 87.053 58.079 25.342 1.00 1.00 ATOM 254 CA TYR 113 90.686 58.864 26.003 1.00 1.00 ATOM 255 CA CYS 114 92.949 58.683 29.067 1.00 1.00 ATOM 256 CA VAL 115 96.577 59.099 30.065 1.00 1.00 ATOM 257 CA THR 116 98.840 58.130 32.963 1.00 1.00 ATOM 258 CA ASP 117 102.161 59.924 33.126 1.00 1.00 ATOM 259 CA ALA 118 104.144 62.653 34.805 1.00 1.00 ATOM 260 CA VAL 119 103.447 66.331 35.415 1.00 1.00 ATOM 397 CA PHE 120 87.603 77.061 37.220 1.00 1.00 ATOM 398 CA THR 121 88.735 78.515 33.806 1.00 1.00 ATOM 399 CA PHE 122 88.080 75.257 31.937 1.00 1.00 ATOM 400 CA VAL 123 84.814 74.041 33.467 1.00 1.00 ATOM 401 CA ALA 124 81.254 74.276 32.210 1.00 1.00 ATOM 402 CA VAL 125 79.079 76.904 33.906 1.00 1.00 ATOM 404 CA ASP 126 72.849 76.296 34.078 1.00 1.00 ATOM 405 CA ASN 127 70.938 77.577 37.090 1.00 1.00 ATOM 406 CA ASN 128 73.725 79.701 38.567 1.00 1.00 ATOM 410 CA GLY 129 80.765 75.703 37.574 1.00 1.00 ATOM 411 CA ARG 130 79.866 72.061 37.340 1.00 1.00 ATOM 412 CA SER 131 83.126 71.053 39.007 1.00 1.00 ATOM 413 CA ARG 132 83.996 68.864 41.956 1.00 1.00 ATOM 414 CA THR 133 87.097 67.989 43.909 1.00 1.00 ATOM 415 CA ILE 134 87.619 64.735 45.737 1.00 1.00 ATOM 416 CA PRO 135 89.266 64.405 49.145 1.00 1.00 ATOM 417 CA ARG 136 90.488 61.554 51.309 1.00 1.00 ATOM 418 CA GLU 137 92.559 61.847 54.472 1.00 1.00 ATOM 419 CA ASN 139 92.277 65.628 54.396 1.00 1.00 ATOM 420 CA GLN 140 94.125 65.788 51.087 1.00 1.00 ATOM 459 CA GLU 141 95.127 77.323 19.359 1.00 1.00 ATOM 460 CA LEU 142 93.067 75.652 22.062 1.00 1.00 ATOM 461 CA GLU 143 90.254 78.157 21.507 1.00 1.00 ATOM 462 CA LYS 144 90.427 77.382 17.791 1.00 1.00 ATOM 463 CA ALA 145 90.084 73.644 18.459 1.00 1.00 ATOM 464 CA LEU 146 86.964 74.377 20.511 1.00 1.00 ATOM 484 CA ALA 147 96.324 55.234 50.705 1.00 1.00 ATOM 485 CA LEU 148 96.652 51.637 49.487 1.00 1.00 ATOM 486 CA ILE 149 100.018 50.992 51.139 1.00 1.00 ATOM 499 CA GLU 151 114.086 64.372 44.698 1.00 1.00 ATOM 500 CA GLN 152 116.735 65.239 47.302 1.00 1.00 ATOM 501 CA PRO 153 119.393 67.968 47.688 1.00 1.00 ATOM 502 CA LEU 154 122.762 66.414 46.579 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 2 10:37:39 2002 Date: Tue, 2 Jul 2002 10:37:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0132 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 Tue Jul 2 10:10:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_226988_11367 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0132TS189_5 Current information on models submitted in prediction T0132TS189 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_5 PIN_226988_11367 5035-2079-5263 07/02/02 10:10:48 casp5@bialko.llnl.gov T0132TS189_4 PIN_199797_11361 5035-2079-5263 07/02/02 10:08:13 casp5@bialko.llnl.gov T0132TS189_3 PIN_195139_11359 5035-2079-5263 07/02/02 10:07:45 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 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 T0132 MODEL_INDEX PIN CODE DATE E-mail T0132TS189_1 PIN_190635_11356 5035-2079-5263 07/02/02 10:07:02 casp5@bialko.llnl.gov T0132TS189_2 PIN_192298_11358 5035-2079-5263 07/02/02 10:07:30 casp5@bialko.llnl.gov T0132TS189_3 PIN_195139_11359 5035-2079-5263 07/02/02 10:07:45 casp5@bialko.llnl.gov T0132TS189_4 PIN_199797_11361 5035-2079-5263 07/02/02 10:08:13 casp5@bialko.llnl.gov T0132TS189_5 PIN_226988_11367 5035-2079-5263 07/02/02 10:10:48 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 T0132 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 2BPA_1 # Loading PARENT structure: 2bpa (chain: 1) # Number of residues in PARENT structure: 426 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # IMPORTANT NOTE! Not complete main chain atoms for residue F 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 6 # IMPORTANT NOTE! Not complete main chain atoms for residue D 7 # IMPORTANT NOTE! Not complete main chain atoms for residue K 8 # IMPORTANT NOTE! Not complete main chain atoms for residue N 9 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # IMPORTANT NOTE! Not complete main chain atoms for residue R 11 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue K 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue L 17 # IMPORTANT NOTE! Not complete main chain atoms for residue L 18 # IMPORTANT NOTE! Not complete main chain atoms for residue L 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue T 21 # IMPORTANT NOTE! Not complete main chain atoms for residue L 22 # IMPORTANT NOTE! Not complete main chain atoms for residue A 23 # IMPORTANT NOTE! Not complete main chain atoms for residue M 24 # IMPORTANT NOTE! Not complete main chain atoms for residue P 25 # IMPORTANT NOTE! Not complete main chain atoms for residue S 26 # IMPORTANT NOTE! Not complete main chain atoms for residue D 27 # IMPORTANT NOTE! Not complete main chain atoms for residue T 28 # IMPORTANT NOTE! Not complete main chain atoms for residue N 29 # IMPORTANT NOTE! Not complete main chain atoms for residue A 30 # IMPORTANT NOTE! Not complete main chain atoms for residue N 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 32 # IMPORTANT NOTE! Not complete main chain atoms for residue D 33 # IMPORTANT NOTE! Not complete main chain atoms for residue I 34 # IMPORTANT NOTE! Not complete main chain atoms for residue F 35 # IMPORTANT NOTE! Not complete main chain atoms for residue G 36 # IMPORTANT NOTE! Not complete main chain atoms for residue G 37 # IMPORTANT NOTE! Not complete main chain atoms for residue W 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue M 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue M 43 # IMPORTANT NOTE! Not complete main chain atoms for residue D 44 # IMPORTANT NOTE! Not complete main chain atoms for residue M 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue A 48 # IMPORTANT NOTE! Not complete main chain atoms for residue I 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue K 52 # IMPORTANT NOTE! Not complete main chain atoms for residue E 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue H 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue R 58 # IMPORTANT NOTE! Not complete main chain atoms for residue V 59 # IMPORTANT NOTE! Not complete main chain atoms for residue V 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue A 63 # IMPORTANT NOTE! Not complete main chain atoms for residue V 64 # IMPORTANT NOTE! Not complete main chain atoms for residue E 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue M 67 # IMPORTANT NOTE! Not complete main chain atoms for residue N 68 # IMPORTANT NOTE! Not complete main chain atoms for residue F 69 # IMPORTANT NOTE! Not complete main chain atoms for residue I 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue P 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue S 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue G 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue V 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue C 80 # IMPORTANT NOTE! Not complete main chain atoms for residue C 81 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 82 # IMPORTANT NOTE! Not complete main chain atoms for residue G 83 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 84 # IMPORTANT NOTE! Not complete main chain atoms for residue C 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue G 89 # IMPORTANT NOTE! Not complete main chain atoms for residue R 90 # IMPORTANT NOTE! Not complete main chain atoms for residue S 91 # IMPORTANT NOTE! Not complete main chain atoms for residue S 92 # IMPORTANT NOTE! Not complete main chain atoms for residue I 93 # IMPORTANT NOTE! Not complete main chain atoms for residue K 94 # IMPORTANT NOTE! Not complete main chain atoms for residue I 95 # IMPORTANT NOTE! Not complete main chain atoms for residue K 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue W 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue K 103 # IMPORTANT NOTE! Not complete main chain atoms for residue V 104 # IMPORTANT NOTE! Not complete main chain atoms for residue A 105 # IMPORTANT NOTE! Not complete main chain atoms for residue S 106 # IMPORTANT NOTE! Not complete main chain atoms for residue E 107 # IMPORTANT NOTE! Not complete main chain atoms for residue P 108 # IMPORTANT NOTE! Not complete main chain atoms for residue I 109 # IMPORTANT NOTE! Not complete main chain atoms for residue G 110 # IMPORTANT NOTE! Not complete main chain atoms for residue E 111 # IMPORTANT NOTE! Not complete main chain atoms for residue R 112 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 113 # IMPORTANT NOTE! Not complete main chain atoms for residue C 114 # IMPORTANT NOTE! Not complete main chain atoms for residue V 115 # IMPORTANT NOTE! Not complete main chain atoms for residue T 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue A 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue F 120 # IMPORTANT NOTE! Not complete main chain atoms for residue T 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue V 125 # IMPORTANT NOTE! Not complete main chain atoms for residue D 126 # IMPORTANT NOTE! Not complete main chain atoms for residue N 127 # IMPORTANT NOTE! Not complete main chain atoms for residue N 128 # IMPORTANT NOTE! Not complete main chain atoms for residue G 129 # IMPORTANT NOTE! Not complete main chain atoms for residue R 130 # IMPORTANT NOTE! Not complete main chain atoms for residue S 131 # IMPORTANT NOTE! Not complete main chain atoms for residue R 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue I 134 # IMPORTANT NOTE! Not complete main chain atoms for residue P 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue E 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue N 139 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue E 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue A 145 # IMPORTANT NOTE! Not complete main chain atoms for residue L 146 # IMPORTANT NOTE! Not complete main chain atoms for residue A 147 # IMPORTANT NOTE! Not complete main chain atoms for residue L 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue E 151 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 152 # IMPORTANT NOTE! Not complete main chain atoms for residue P 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0132 # Total number of residues in target: 154 # Total number of residues in model: 153 # Total number of atoms in model: 153 # Number of atoms with 1.0 occupancy: 153 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 153 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0132 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 2BPA_1 ATOM 1 CA MET 1 -0.075 40.884 110.958 1.00 1.00 ATOM 2 CA SER 2 -0.234 38.261 108.187 1.00 1.00 ATOM 3 CA ALA 3 2.367 35.453 108.409 1.00 1.00 ATOM 4 CA ASN 4 4.103 33.132 106.008 1.00 1.00 ATOM 5 CA PHE 5 1.546 30.312 106.220 1.00 1.00 ATOM 6 CA THR 6 2.889 28.159 103.446 1.00 1.00 ATOM 7 CA ASP 7 6.029 26.749 101.982 1.00 1.00 ATOM 8 CA LYS 8 6.707 25.125 98.663 1.00 1.00 ATOM 9 CA ASN 9 8.479 21.775 98.550 1.00 1.00 ATOM 25 CA GLY 10 30.667 -8.553 113.941 1.00 1.00 ATOM 26 CA ARG 11 29.129 -5.508 115.558 1.00 1.00 ATOM 44 CA GLN 12 23.893 7.991 97.391 1.00 1.00 ATOM 45 CA SER 13 26.618 6.820 99.818 1.00 1.00 ATOM 46 CA LYS 14 29.860 6.402 98.010 1.00 1.00 ATOM 47 CA GLY 15 33.141 5.730 99.881 1.00 1.00 ATOM 48 CA VAL 16 35.942 3.313 100.615 1.00 1.00 ATOM 49 CA LEU 17 35.975 0.466 103.041 1.00 1.00 ATOM 50 CA LEU 18 39.429 -0.353 104.626 1.00 1.00 ATOM 51 CA LEU 19 40.388 -3.114 107.147 1.00 1.00 ATOM 143 CA ARG 20 17.382 -6.237 123.884 1.00 1.00 ATOM 144 CA THR 21 15.381 -4.317 126.327 1.00 1.00 ATOM 145 CA LEU 22 17.657 -1.675 128.014 1.00 1.00 ATOM 146 CA ALA 23 16.095 1.528 129.111 1.00 1.00 ATOM 147 CA MET 24 19.070 3.764 128.565 1.00 1.00 ATOM 148 CA PRO 25 22.231 3.515 126.715 1.00 1.00 ATOM 149 CA SER 26 24.075 3.795 130.152 1.00 1.00 ATOM 150 CA ASP 27 23.144 0.240 130.858 1.00 1.00 ATOM 151 CA THR 28 25.477 -1.020 128.130 1.00 1.00 ATOM 152 CA ASN 29 29.103 -2.391 128.358 1.00 1.00 ATOM 153 CA ALA 30 31.791 -0.259 126.780 1.00 1.00 ATOM 154 CA ASN 31 32.079 -2.623 123.839 1.00 1.00 ATOM 155 CA GLY 32 28.287 -2.533 123.049 1.00 1.00 ATOM 156 CA ASP 33 28.193 1.250 123.508 1.00 1.00 ATOM 157 CA ILE 34 31.221 2.100 121.498 1.00 1.00 ATOM 158 CA PHE 35 31.246 -0.492 118.724 1.00 1.00 ATOM 159 CA GLY 36 27.581 -1.617 118.379 1.00 1.00 ATOM 160 CA GLY 37 25.840 -4.880 119.287 1.00 1.00 ATOM 161 CA TRP 38 27.110 -8.315 118.324 1.00 1.00 ATOM 162 CA ILE 39 25.524 -9.921 115.194 1.00 1.00 ATOM 163 CA MET 40 25.360 -13.602 114.307 1.00 1.00 ATOM 164 CA SER 41 27.841 -15.444 112.273 1.00 1.00 ATOM 165 CA GLN 42 27.019 -16.463 108.589 1.00 1.00 ATOM 166 CA MET 43 25.111 -19.774 108.757 1.00 1.00 ATOM 167 CA ASP 44 26.861 -23.019 109.546 1.00 1.00 ATOM 168 CA MET 45 25.943 -26.427 110.906 1.00 1.00 ATOM 169 CA GLY 46 27.269 -25.120 114.306 1.00 1.00 ATOM 170 CA GLY 47 26.505 -21.455 113.719 1.00 1.00 ATOM 171 CA ALA 48 22.828 -22.151 112.689 1.00 1.00 ATOM 172 CA ILE 49 21.496 -25.028 114.735 1.00 1.00 ATOM 173 CA LEU 50 17.678 -25.515 115.147 1.00 1.00 ATOM 174 CA ALA 51 16.192 -23.317 117.829 1.00 1.00 ATOM 175 CA LYS 52 17.179 -24.327 121.390 1.00 1.00 ATOM 176 CA GLU 53 13.881 -25.601 122.515 1.00 1.00 ATOM 177 CA ILE 54 13.146 -27.752 119.450 1.00 1.00 ATOM 279 CA ALA 55 5.228 10.240 109.089 1.00 1.00 ATOM 280 CA HIS 56 8.092 12.123 111.008 1.00 1.00 ATOM 281 CA GLY 57 10.961 9.702 111.875 1.00 1.00 ATOM 282 CA ARG 58 14.677 8.942 111.502 1.00 1.00 ATOM 283 CA VAL 59 16.311 7.262 108.598 1.00 1.00 ATOM 284 CA VAL 60 19.108 4.976 110.120 1.00 1.00 ATOM 285 CA THR 61 21.975 3.701 107.978 1.00 1.00 ATOM 286 CA VAL 62 24.193 0.943 109.571 1.00 1.00 ATOM 287 CA ALA 63 27.178 -1.117 108.508 1.00 1.00 ATOM 288 CA VAL 64 28.233 -4.674 109.504 1.00 1.00 ATOM 289 CA GLU 65 31.602 -6.178 108.441 1.00 1.00 ATOM 290 CA SER 66 32.010 -9.965 108.729 1.00 1.00 ATOM 291 CA MET 67 34.205 -12.866 107.688 1.00 1.00 ATOM 292 CA ASN 68 32.827 -16.386 106.764 1.00 1.00 ATOM 293 CA PHE 69 33.052 -18.465 110.019 1.00 1.00 ATOM 294 CA ILE 70 36.135 -20.527 109.197 1.00 1.00 ATOM 306 CA LYS 71 32.729 -42.572 116.313 1.00 1.00 ATOM 307 CA PRO 72 31.714 -45.766 114.639 1.00 1.00 ATOM 308 CA ILE 73 29.287 -45.093 111.719 1.00 1.00 ATOM 309 CA SER 74 25.856 -46.615 111.855 1.00 1.00 ATOM 310 CA VAL 75 23.611 -47.378 108.777 1.00 1.00 ATOM 311 CA GLY 76 21.588 -44.270 109.657 1.00 1.00 ATOM 312 CA ASP 77 24.649 -42.066 109.526 1.00 1.00 ATOM 313 CA VAL 78 26.459 -43.305 106.481 1.00 1.00 ATOM 314 CA VAL 79 23.861 -44.717 103.944 1.00 1.00 ATOM 315 CA CYS 80 21.924 -41.567 102.897 1.00 1.00 ATOM 329 CA CYS 81 27.789 -31.661 120.835 1.00 1.00 ATOM 330 CA TYR 82 30.451 -29.140 119.965 1.00 1.00 ATOM 331 CA GLY 83 32.854 -32.075 120.240 1.00 1.00 ATOM 332 CA GLN 84 31.337 -33.934 117.244 1.00 1.00 ATOM 333 CA CYS 85 32.439 -31.156 114.950 1.00 1.00 ATOM 334 CA LEU 86 35.497 -29.551 116.712 1.00 1.00 ATOM 335 CA LYS 87 38.952 -30.613 117.953 1.00 1.00 ATOM 336 CA VAL 88 38.583 -29.047 121.348 1.00 1.00 ATOM 337 CA GLY 89 34.832 -29.081 121.385 1.00 1.00 ATOM 338 CA ARG 90 33.074 -29.133 124.667 1.00 1.00 ATOM 339 CA SER 91 31.108 -32.379 124.753 1.00 1.00 ATOM 340 CA SER 92 28.869 -30.736 127.259 1.00 1.00 ATOM 341 CA ILE 93 27.766 -28.061 124.711 1.00 1.00 ATOM 342 CA LYS 94 24.849 -29.597 122.709 1.00 1.00 ATOM 343 CA ILE 95 22.897 -28.489 119.595 1.00 1.00 ATOM 344 CA LYS 96 20.005 -29.877 117.464 1.00 1.00 ATOM 345 CA VAL 97 20.741 -30.574 113.868 1.00 1.00 ATOM 346 CA GLU 98 18.482 -31.960 111.080 1.00 1.00 ATOM 349 CA VAL 99 22.547 -32.333 107.655 1.00 1.00 ATOM 350 CA TRP 100 26.085 -33.650 107.341 1.00 1.00 ATOM 351 CA VAL 101 25.156 -34.639 103.695 1.00 1.00 ATOM 352 CA LYS 103 23.758 -31.181 102.935 1.00 1.00 ATOM 353 CA VAL 104 26.859 -29.310 104.221 1.00 1.00 ATOM 354 CA ALA 105 30.605 -29.218 103.976 1.00 1.00 ATOM 355 CA SER 106 32.958 -27.316 106.382 1.00 1.00 ATOM 356 CA GLU 107 35.967 -25.502 105.048 1.00 1.00 ATOM 357 CA PRO 108 39.331 -27.229 105.711 1.00 1.00 ATOM 358 CA ILE 109 42.261 -25.345 107.352 1.00 1.00 ATOM 359 CA GLY 110 45.399 -27.574 107.423 1.00 1.00 ATOM 360 CA GLU 111 46.773 -27.862 111.047 1.00 1.00 ATOM 361 CA ARG 112 49.863 -25.966 109.876 1.00 1.00 ATOM 362 CA TYR 113 47.781 -22.772 110.097 1.00 1.00 ATOM 363 CA CYS 114 46.412 -23.330 113.639 1.00 1.00 ATOM 364 CA VAL 115 47.973 -20.410 115.614 1.00 1.00 ATOM 365 CA THR 116 49.523 -18.617 112.687 1.00 1.00 ATOM 366 CA ASP 117 48.737 -14.909 113.085 1.00 1.00 ATOM 367 CA ALA 118 47.419 -12.897 110.116 1.00 1.00 ATOM 368 CA VAL 119 44.516 -15.181 109.032 1.00 1.00 ATOM 369 CA PHE 120 41.064 -14.198 110.154 1.00 1.00 ATOM 371 CA THR 121 38.504 -18.539 114.621 1.00 1.00 ATOM 372 CA PHE 122 41.386 -20.305 116.659 1.00 1.00 ATOM 373 CA VAL 123 39.506 -22.221 119.352 1.00 1.00 ATOM 374 CA ALA 124 35.888 -23.405 119.103 1.00 1.00 ATOM 375 CA VAL 125 33.463 -20.987 120.619 1.00 1.00 ATOM 376 CA ASP 126 32.806 -21.974 124.209 1.00 1.00 ATOM 377 CA ASN 127 29.544 -21.072 125.864 1.00 1.00 ATOM 378 CA ASN 128 25.813 -21.282 125.576 1.00 1.00 ATOM 379 CA GLY 129 24.221 -21.465 122.112 1.00 1.00 ATOM 380 CA ARG 130 23.799 -17.680 122.125 1.00 1.00 ATOM 381 CA SER 131 27.437 -16.980 122.958 1.00 1.00 ATOM 382 CA ARG 132 28.482 -19.276 120.152 1.00 1.00 ATOM 383 CA THR 133 26.284 -17.699 117.404 1.00 1.00 ATOM 384 CA ILE 134 27.068 -14.032 118.316 1.00 1.00 ATOM 385 CA PRO 135 30.266 -12.890 116.768 1.00 1.00 ATOM 386 CA ARG 136 33.216 -12.043 119.159 1.00 1.00 ATOM 387 CA GLU 137 35.418 -9.342 117.642 1.00 1.00 ATOM 388 CA ASN 138 38.424 -10.413 119.704 1.00 1.00 ATOM 389 CA ASN 139 38.456 -13.646 117.720 1.00 1.00 ATOM 391 CA GLN 140 42.604 -9.456 117.068 1.00 1.00 ATOM 392 CA GLU 141 45.606 -11.520 115.971 1.00 1.00 ATOM 393 CA LEU 142 44.734 -10.827 112.374 1.00 1.00 ATOM 394 CA GLU 143 45.605 -7.192 112.224 1.00 1.00 ATOM 395 CA LYS 144 48.374 -4.707 112.971 1.00 1.00 ATOM 396 CA ALA 145 47.339 -2.870 116.145 1.00 1.00 ATOM 397 CA LEU 146 45.869 0.524 115.315 1.00 1.00 ATOM 398 CA ALA 147 43.777 3.211 116.884 1.00 1.00 ATOM 399 CA LEU 148 40.967 2.742 114.215 1.00 1.00 ATOM 400 CA ILE 149 39.835 -0.639 115.447 1.00 1.00 ATOM 401 CA SER 150 39.374 -3.453 112.900 1.00 1.00 ATOM 402 CA GLU 151 37.804 -1.562 109.861 1.00 1.00 ATOM 424 CA GLN 152 12.825 38.078 107.733 1.00 1.00 ATOM 425 CA PRO 153 10.054 39.356 110.063 1.00 1.00 ATOM 426 CA LEU 154 8.101 40.506 106.969 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:01:08 2002 Date: Tue, 16 Jul 2002 19:01:02 -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 18:34:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_456724_12188 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0132SS389_1 Current information on models submitted in prediction T0132SS389 MODEL_INDEX PIN CODE DATE E-mail T0132SS389_1 PIN_456724_12188 1549-8716-6404 07/16/02 18:34:06 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0132 MODEL_INDEX PIN CODE DATE E-mail T0132SS389_1 PIN_456724_12188 1549-8716-6404 07/16/02 18:34:06 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0132 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: 154 # Number of residues with nonzero confidence: 154 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0132 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0132.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0132.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/T0132.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0132 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 T0132.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 89 METHOD METHOD ============================================ METHOD Comments from preds/T0132.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0132 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 T0132.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 89 METHOD METHOD ============================================ MODEL 1 M C 0.96 S C 0.82 A C 0.78 N C 0.75 F C 0.78 T C 0.83 D C 0.80 K C 0.77 N C 0.60 G C 0.52 R C 0.54 Q C 0.73 S C 0.84 K C 0.88 G C 0.83 V E 0.59 L E 0.89 L E 0.94 L E 0.94 R E 0.93 T E 0.90 L E 0.87 A E 0.74 M C 0.56 P C 0.63 S C 0.59 D C 0.51 T C 0.69 N C 0.82 A C 0.78 N C 0.81 G C 0.73 D C 0.43 I E 0.43 F H 0.50 G H 0.67 G H 0.78 W H 0.95 I H 0.96 M H 0.95 S H 0.95 Q H 0.95 M H 0.95 D H 0.96 M H 0.96 G H 0.97 G H 0.97 A H 0.97 I H 0.97 L H 0.97 A H 0.97 K H 0.96 E H 0.93 I H 0.84 A C 0.61 H C 0.91 G C 0.91 R C 0.72 V E 0.74 V E 0.93 T E 0.96 V E 0.95 A E 0.92 V E 0.79 E E 0.48 S E 0.58 M E 0.84 N E 0.90 F E 0.90 I E 0.83 K E 0.76 P E 0.79 I E 0.74 S E 0.56 V C 0.76 G C 0.92 D C 0.64 V E 0.84 V E 0.96 C E 0.97 C E 0.97 Y E 0.96 G E 0.96 Q E 0.96 C E 0.94 L E 0.92 K E 0.84 V C 0.50 G C 0.80 R C 0.78 S C 0.51 S E 0.84 I E 0.95 K E 0.97 I E 0.96 K E 0.97 V E 0.97 E E 0.97 V E 0.94 W E 0.91 V E 0.76 K C 0.51 K C 0.63 V C 0.63 A C 0.67 S C 0.74 E C 0.83 P C 0.83 I C 0.81 G C 0.79 E C 0.53 R E 0.63 Y E 0.77 C E 0.84 V E 0.86 T E 0.87 D E 0.91 A E 0.93 V E 0.96 F E 0.97 T E 0.97 F E 0.95 V E 0.94 A E 0.87 V E 0.79 D C 0.74 N C 0.96 N C 0.97 G C 0.94 R C 0.82 S E 0.67 R C 0.54 T C 0.64 I C 0.77 P C 0.82 R C 0.87 E C 0.87 N C 0.83 N C 0.84 Q C 0.86 E C 0.93 L C 0.92 E H 0.90 K H 0.92 A H 0.94 L H 0.94 A H 0.92 L H 0.92 I H 0.87 S H 0.83 E H 0.69 Q C 0.61 P C 0.73 L C 0.97 END ################################ # # # END # # # ################################