From mailer@bialko.llnl.gov Wed Jun 26 11:59:40 2002 Date: Wed, 26 Jun 2002 11:59:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:33:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_444253_10960 # (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 T0141 AUTHOR 2491-6940-1261 # Reading MODEL 1 E T 0.260 # ERROR! Check the line NB = 10 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0141 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 T0141.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 58 METHOD MODEL 1 M C 0.997 L C 0.721 L C 0.579 D C 0.473 E C 0.281 G C 0.262 W C 0.415 L C 0.307 A C 0.229 E T 0.260 A C 0.265 R C 0.375 R C 0.427 V C 0.619 P C 0.624 S C 0.656 P C 0.356 H C 0.390 Y G 0.283 D C 0.335 C C 0.443 R C 0.643 P C 0.499 D T 0.465 D C 0.312 E C 0.443 N C 0.557 P C 0.801 S S 0.468 L E 0.990 L E 0.999 V E 0.999 V E 0.994 H E 0.876 N C 0.447 I C 0.428 S S 0.483 L S 0.403 P C 0.514 P H 0.490 G H 0.689 E H 0.684 F H 0.717 G H 0.684 G H 0.731 P H 0.811 W H 0.867 I H 0.923 D H 0.925 A H 0.914 L H 0.865 F H 0.717 T T 0.425 G T 0.461 T C 0.561 I C 0.667 D C 0.869 P T 0.622 N T 0.666 A G 0.245 H C 0.317 P H 0.261 Y H 0.283 F H 0.347 A H 0.307 G T 0.256 I C 0.496 A T 0.586 H T 0.619 L S 0.429 R C 0.429 V E 0.600 S E 0.784 A E 0.896 H E 0.924 C E 0.955 L E 0.971 I E 0.922 R E 0.559 R T 0.571 D T 0.841 G S 0.545 E E 0.534 I E 0.891 V E 0.960 Q E 0.961 Y E 0.957 V E 0.917 P E 0.710 F G 0.462 D G 0.456 K G 0.503 R E 0.356 A E 0.550 W E 0.718 H E 0.663 A E 0.485 G E 0.356 V C 0.281 S C 0.359 S C 0.255 Y T 0.321 Q T 0.373 G T 0.346 R C 0.363 E T 0.290 R T 0.290 C C 0.335 N C 0.444 D C 0.311 F E 0.384 S E 0.562 I E 0.646 G E 0.860 I E 0.927 E E 0.956 L E 0.900 E E 0.728 G C 0.413 T C 0.391 D T 0.428 T S 0.488 L S 0.446 A C 0.545 Y C 0.687 T C 0.860 D H 0.984 A H 0.989 Q H 0.994 Y H 0.996 Q H 0.992 Q H 0.986 L H 0.992 A H 0.994 A H 0.995 V H 0.996 T H 0.997 N H 0.996 A H 0.993 L H 0.992 I H 0.978 T H 0.901 R H 0.685 Y T 0.336 P C 0.583 A C 0.623 I C 0.886 A G 0.728 N G 0.709 N G 0.742 M C 0.339 T C 0.394 G C 0.288 H C 0.474 C C 0.293 N C 0.359 I C 0.437 A C 0.711 P T 0.306 E C 0.313 R C 0.296 K C 0.434 T C 0.333 D C 0.538 P T 0.364 G T 0.324 P T 0.494 S T 0.400 F C 0.436 D C 0.713 W H 0.893 A H 0.938 R H 0.967 F H 0.980 R H 0.959 A H 0.904 L H 0.808 V H 0.484 T T 0.402 P S 0.407 S C 0.469 S C 0.429 H C 0.406 K C 0.243 E T 0.271 M C 0.640 T C 0.984 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:00:08 2002 Date: Wed, 26 Jun 2002 12:00:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:34:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_454454_10961 # (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 T0141 AUTHOR 5144-8387-2760 # Reading MODEL 1 D T 0.585 # ERROR! Check the line NB = 4 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0141 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 T0141.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 58 METHOD MODEL 1 M C 0.749 L C 0.646 L C 0.471 D T 0.585 E T 0.694 G T 0.724 W T 0.432 L E 0.381 A T 0.311 E T 0.342 A T 0.321 R C 0.335 R E 0.436 V C 0.432 P C 0.544 S T 0.561 P T 0.679 H T 0.684 Y T 0.606 D T 0.435 C C 0.399 R T 0.441 P T 0.568 D T 0.612 D T 0.666 E T 0.564 N C 0.527 P C 0.521 S C 0.481 L E 0.949 L E 0.982 V E 0.988 V E 0.948 H E 0.763 N C 0.414 I C 0.404 S C 0.518 L C 0.509 P C 0.475 P H 0.571 G H 0.665 E H 0.702 F H 0.794 G H 0.777 G H 0.639 P H 0.674 W H 0.785 I H 0.908 D H 0.923 A H 0.922 L H 0.941 F H 0.941 T H 0.803 G H 0.500 T C 0.587 I C 0.542 D T 0.719 P T 0.722 N T 0.797 A T 0.783 H C 0.455 P T 0.336 Y T 0.333 F H 0.283 A T 0.276 G T 0.271 I T 0.493 A T 0.553 H T 0.607 L T 0.509 R E 0.409 V E 0.725 S E 0.818 A E 0.875 H E 0.960 C E 0.981 L E 0.983 I E 0.977 R E 0.683 R T 0.913 D T 0.964 G T 0.863 E E 0.826 I E 0.979 V E 0.974 Q E 0.980 Y E 0.898 V E 0.549 P C 0.780 F H 0.389 D G 0.476 K G 0.580 R H 0.470 A H 0.515 W H 0.458 H H 0.323 A T 0.302 G T 0.376 V T 0.395 S T 0.333 S T 0.373 Y T 0.453 Q T 0.502 G T 0.523 R T 0.515 E T 0.500 R T 0.466 C T 0.376 N C 0.333 D T 0.398 F E 0.461 S E 0.704 I E 0.766 G E 0.804 I E 0.879 E E 0.885 L E 0.810 E E 0.611 G C 0.485 T T 0.470 D T 0.561 T T 0.627 L T 0.646 A C 0.537 Y C 0.639 T C 0.889 D H 0.976 A H 0.984 Q H 0.989 Y H 0.996 Q H 0.995 Q H 0.995 L H 0.997 A H 0.999 A H 0.997 V H 0.995 T H 0.997 N H 0.992 A H 0.994 L H 0.988 I H 0.955 T H 0.901 R H 0.789 Y H 0.428 P C 0.807 A C 0.728 I C 0.645 A G 0.556 N G 0.663 N G 0.701 M C 0.303 T E 0.277 G C 0.317 H G 0.283 C G 0.379 N T 0.333 I T 0.398 A T 0.497 P T 0.475 E T 0.565 R T 0.442 K C 0.310 T C 0.385 D T 0.562 P T 0.729 G T 0.936 P T 0.935 S T 0.827 F T 0.669 D C 0.503 W H 0.857 A H 0.875 R H 0.950 F H 0.952 R H 0.952 A H 0.846 L H 0.790 V H 0.628 T C 0.621 P C 0.467 S C 0.462 S T 0.440 H T 0.468 K T 0.380 E C 0.335 M C 0.539 T C 0.947 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:04:08 2002 Date: Tue, 16 Jul 2002 19:04:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 18:36:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_481030_12197 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141SS389_1 Current information on models submitted in prediction T0141SS389 MODEL_INDEX PIN CODE DATE E-mail T0141SS389_1 PIN_481030_12197 1549-8716-6404 07/16/02 18:36:46 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141SS389_1 PIN_481030_12197 1549-8716-6404 07/16/02 18:36:46 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 T0141 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: 187 # Number of residues with nonzero confidence: 187 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0141 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0141.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0141.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/T0141.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0141 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 T0141.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 58 METHOD METHOD ============================================ METHOD Comments from preds/T0141.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0141 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 T0141.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 58 METHOD METHOD ============================================ MODEL 1 M C 0.96 L C 0.76 L C 0.75 D C 0.76 E C 0.79 G C 0.77 W C 0.65 L C 0.49 A C 0.56 E C 0.63 A C 0.59 R C 0.65 R C 0.57 V C 0.73 P C 0.82 S C 0.86 P C 0.84 H C 0.81 Y C 0.68 D C 0.78 C C 0.77 R C 0.85 P C 0.83 D C 0.79 D C 0.80 E C 0.82 N C 0.79 P C 0.84 S C 0.65 L E 0.96 L E 0.97 V E 0.97 V E 0.95 H E 0.81 N C 0.64 I C 0.78 S C 0.87 L C 0.88 P C 0.84 P H 0.61 G H 0.76 E H 0.78 F H 0.79 G H 0.74 G H 0.71 P H 0.76 W H 0.83 I H 0.91 D H 0.92 A H 0.92 L H 0.90 F H 0.82 T H 0.58 G C 0.63 T C 0.85 I C 0.82 D C 0.91 P C 0.80 N C 0.82 A C 0.71 H C 0.75 P C 0.53 Y C 0.46 F H 0.49 A C 0.43 G C 0.55 I C 0.76 A C 0.80 H C 0.84 L C 0.79 R C 0.64 V E 0.68 S E 0.80 A E 0.87 H E 0.92 C E 0.95 L E 0.96 I E 0.95 R E 0.62 R C 0.90 D C 0.96 G C 0.89 E E 0.66 I E 0.93 V E 0.95 Q E 0.95 Y E 0.92 V E 0.76 P C 0.55 F H 0.61 D H 0.61 K H 0.69 R H 0.39 A E 0.35 W E 0.43 H E 0.42 A C 0.51 G C 0.64 V C 0.68 S C 0.68 S C 0.64 Y C 0.68 Q C 0.76 G C 0.83 R C 0.79 E C 0.73 R C 0.72 C C 0.71 N C 0.72 D C 0.70 F C 0.51 S E 0.63 I E 0.70 G E 0.83 I E 0.89 E E 0.91 L E 0.86 E E 0.69 G C 0.73 T C 0.90 D C 0.92 T C 0.89 L C 0.90 A C 0.88 Y C 0.92 T C 0.95 D H 0.96 A H 0.96 Q H 0.97 Y H 0.97 Q H 0.97 Q H 0.96 L H 0.97 A H 0.97 A H 0.97 V H 0.97 T H 0.97 N H 0.97 A H 0.97 L H 0.96 I H 0.95 T H 0.89 R H 0.73 Y C 0.66 P C 0.96 A C 0.92 I C 0.95 A H 0.72 N H 0.72 N H 0.75 M C 0.50 T C 0.55 G C 0.55 H C 0.58 C C 0.59 N C 0.61 I C 0.68 A C 0.87 P C 0.80 E C 0.79 R C 0.65 K C 0.59 T C 0.61 D C 0.81 P C 0.86 G C 0.87 P C 0.88 S C 0.88 F C 0.82 D C 0.83 W H 0.91 A H 0.92 R H 0.95 F H 0.95 R H 0.95 A H 0.89 L H 0.82 V H 0.56 T C 0.84 P C 0.85 S C 0.81 S C 0.74 H C 0.73 K C 0.62 E C 0.63 M C 0.77 T C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:32:19 2002 Date: Thu, 25 Jul 2002 08:32:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:04:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_168952_14540 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS189_1 Current information on models submitted in prediction T0141TS189 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 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 T0141 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1LBA # Loading PARENT structure: 1lba (chain: ) # Number of residues in PARENT structure: 146 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue D 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue P 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue L 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue V 136 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue P 159 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue T 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue P 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue W 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue R 173 # IMPORTANT NOTE! Not complete main chain atoms for residue F 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue A 176 # IMPORTANT NOTE! Not complete main chain atoms for residue L 177 # IMPORTANT NOTE! Not complete main chain atoms for residue V 178 # IMPORTANT NOTE! Not complete main chain atoms for residue P 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue S 182 # IMPORTANT NOTE! Not complete main chain atoms for residue H 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue E 185 # IMPORTANT NOTE! Not complete main chain atoms for residue M 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 138 # Total number of atoms in model: 138 # Number of atoms with 1.0 occupancy: 138 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 138 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1LBA ATOM 6 CA PRO 23 -16.262 8.960 0.488 1.00 1.00 ATOM 7 CA ASP 24 -15.640 7.608 4.037 1.00 1.00 ATOM 8 CA ASP 25 -13.286 4.709 4.915 1.00 1.00 ATOM 9 CA GLU 26 -14.591 1.168 5.294 1.00 1.00 ATOM 10 CA ASN 27 -12.298 0.323 8.207 1.00 1.00 ATOM 11 CA PRO 28 -9.523 1.872 10.366 1.00 1.00 ATOM 12 CA SER 29 -6.751 -0.584 10.717 1.00 1.00 ATOM 13 CA LEU 30 -4.127 1.991 11.685 1.00 1.00 ATOM 14 CA LEU 31 -3.237 5.455 12.971 1.00 1.00 ATOM 15 CA VAL 32 -0.097 6.671 11.159 1.00 1.00 ATOM 16 CA VAL 33 2.148 9.377 12.581 1.00 1.00 ATOM 17 CA HIS 34 4.032 11.792 10.267 1.00 1.00 ATOM 18 CA ASN 35 5.963 15.089 10.565 1.00 1.00 ATOM 19 CA ILE 36 5.535 18.023 8.084 1.00 1.00 ATOM 20 CA SER 37 9.324 18.161 7.392 1.00 1.00 ATOM 21 CA LEU 38 9.657 21.790 8.472 1.00 1.00 ATOM 22 CA PRO 39 12.219 23.628 10.564 1.00 1.00 ATOM 23 CA PRO 40 11.857 24.977 14.191 1.00 1.00 ATOM 24 CA GLY 41 11.108 28.546 13.087 1.00 1.00 ATOM 25 CA GLU 42 8.233 27.361 10.991 1.00 1.00 ATOM 26 CA PHE 43 5.347 27.927 13.258 1.00 1.00 ATOM 27 CA GLY 44 2.706 26.631 10.852 1.00 1.00 ATOM 28 CA GLY 45 -0.647 24.736 11.011 1.00 1.00 ATOM 29 CA PRO 46 -3.471 23.476 8.696 1.00 1.00 ATOM 30 CA TRP 47 -4.052 26.863 6.960 1.00 1.00 ATOM 31 CA ASN 59 -0.545 26.665 5.446 1.00 1.00 ATOM 32 CA ALA 60 -0.152 22.858 4.921 1.00 1.00 ATOM 33 CA HIS 61 -3.648 22.709 3.247 1.00 1.00 ATOM 34 CA PRO 62 -2.441 25.465 0.887 1.00 1.00 ATOM 35 CA TYR 63 0.812 23.601 0.170 1.00 1.00 ATOM 36 CA PHE 64 -0.990 20.335 -0.592 1.00 1.00 ATOM 37 CA ALA 65 -3.474 21.951 -2.945 1.00 1.00 ATOM 38 CA GLY 66 -0.655 23.776 -4.834 1.00 1.00 ATOM 39 CA ILE 67 0.737 20.214 -5.348 1.00 1.00 ATOM 40 CA ALA 68 -2.562 19.073 -6.972 1.00 1.00 ATOM 41 CA HIS 69 -4.481 17.344 -4.163 1.00 1.00 ATOM 42 CA LEU 70 -7.972 18.199 -3.136 1.00 1.00 ATOM 43 CA ARG 71 -7.299 19.080 0.538 1.00 1.00 ATOM 44 CA VAL 72 -4.867 18.539 3.394 1.00 1.00 ATOM 45 CA SER 73 -4.098 14.766 3.425 1.00 1.00 ATOM 46 CA ALA 74 -3.971 14.468 7.253 1.00 1.00 ATOM 47 CA HIS 75 -6.854 14.042 9.624 1.00 1.00 ATOM 48 CA CYS 76 -5.005 15.920 12.485 1.00 1.00 ATOM 49 CA LEU 77 -2.147 18.518 12.691 1.00 1.00 ATOM 50 CA ILE 78 -0.390 19.215 16.004 1.00 1.00 ATOM 51 CA ARG 79 1.128 22.756 15.923 1.00 1.00 ATOM 52 CA ARG 80 4.337 23.464 17.905 1.00 1.00 ATOM 53 CA ASP 81 2.565 25.007 20.886 1.00 1.00 ATOM 54 CA GLY 82 0.567 21.686 21.260 1.00 1.00 ATOM 55 CA GLU 83 -2.718 22.900 19.568 1.00 1.00 ATOM 56 CA ILE 84 -4.287 20.025 17.611 1.00 1.00 ATOM 57 CA VAL 85 -6.220 21.199 14.538 1.00 1.00 ATOM 58 CA GLN 86 -8.430 19.025 12.423 1.00 1.00 ATOM 59 CA TYR 87 -7.684 18.499 8.737 1.00 1.00 ATOM 60 CA VAL 88 -9.786 16.087 6.717 1.00 1.00 ATOM 61 CA PRO 89 -12.895 14.716 8.369 1.00 1.00 ATOM 62 CA PHE 90 -11.975 12.050 10.864 1.00 1.00 ATOM 63 CA ASP 91 -13.927 9.442 8.868 1.00 1.00 ATOM 64 CA LYS 92 -12.710 10.258 5.308 1.00 1.00 ATOM 65 CA ARG 93 -9.984 8.803 3.101 1.00 1.00 ATOM 66 CA ALA 94 -7.023 11.172 3.265 1.00 1.00 ATOM 67 CA TRP 95 -3.705 11.242 1.351 1.00 1.00 ATOM 68 CA HIS 96 -0.788 10.589 3.707 1.00 1.00 ATOM 69 CA ALA 97 0.481 7.044 3.308 1.00 1.00 ATOM 70 CA GLU 106 -0.079 5.582 -0.173 1.00 1.00 ATOM 71 CA ARG 107 -1.554 2.176 -0.287 1.00 1.00 ATOM 72 CA CYS 108 -2.932 2.864 3.185 1.00 1.00 ATOM 73 CA ASN 109 -5.136 5.836 2.659 1.00 1.00 ATOM 74 CA ASP 110 -8.089 3.526 2.357 1.00 1.00 ATOM 75 CA PHE 111 -8.031 2.263 5.960 1.00 1.00 ATOM 76 CA SER 112 -6.205 4.665 8.355 1.00 1.00 ATOM 77 CA ILE 113 -5.939 7.974 10.284 1.00 1.00 ATOM 78 CA GLY 114 -2.974 10.212 9.477 1.00 1.00 ATOM 79 CA ILE 115 -1.599 12.466 12.211 1.00 1.00 ATOM 80 CA GLU 116 1.005 15.143 11.511 1.00 1.00 ATOM 81 CA LEU 117 3.572 16.835 13.783 1.00 1.00 ATOM 82 CA GLU 118 4.878 20.264 12.679 1.00 1.00 ATOM 83 CA GLY 119 8.650 19.903 12.513 1.00 1.00 ATOM 84 CA THR 120 10.998 17.136 11.405 1.00 1.00 ATOM 92 CA THR 122 15.726 15.739 13.197 1.00 1.00 ATOM 93 CA LEU 123 13.280 14.950 16.067 1.00 1.00 ATOM 94 CA ALA 124 12.865 18.578 17.041 1.00 1.00 ATOM 95 CA TYR 125 9.337 18.371 18.413 1.00 1.00 ATOM 96 CA THR 126 8.392 20.419 21.445 1.00 1.00 ATOM 97 CA ASP 127 7.346 18.901 24.934 1.00 1.00 ATOM 98 CA ALA 128 3.900 20.339 24.362 1.00 1.00 ATOM 99 CA GLN 129 3.468 18.665 20.940 1.00 1.00 ATOM 100 CA TYR 130 4.413 15.277 22.364 1.00 1.00 ATOM 101 CA GLN 131 1.996 15.692 25.293 1.00 1.00 ATOM 102 CA GLN 132 -0.903 16.503 22.982 1.00 1.00 ATOM 103 CA LEU 133 0.068 13.646 20.689 1.00 1.00 ATOM 104 CA ALA 134 -0.034 11.058 23.495 1.00 1.00 ATOM 105 CA ALA 135 -3.675 11.967 24.602 1.00 1.00 ATOM 106 CA VAL 136 -4.957 12.199 20.951 1.00 1.00 ATOM 107 CA THR 137 -3.542 8.719 20.299 1.00 1.00 ATOM 108 CA ASN 138 -4.920 7.131 23.557 1.00 1.00 ATOM 109 CA ALA 139 -8.287 8.646 22.469 1.00 1.00 ATOM 110 CA LEU 140 -7.954 7.349 18.911 1.00 1.00 ATOM 111 CA ILE 141 -6.793 3.844 19.793 1.00 1.00 ATOM 112 CA THR 142 -9.748 3.574 22.066 1.00 1.00 ATOM 113 CA ARG 143 -12.354 4.639 19.625 1.00 1.00 ATOM 114 CA TYR 144 -11.160 2.603 16.624 1.00 1.00 ATOM 115 CA PRO 145 -11.457 -0.782 18.006 1.00 1.00 ATOM 116 CA ALA 146 -8.564 -2.954 16.881 1.00 1.00 ATOM 117 CA ILE 147 -6.524 -0.143 15.153 1.00 1.00 ATOM 118 CA ALA 148 -2.739 -0.390 15.399 1.00 1.00 ATOM 119 CA MET 151 -0.387 2.573 15.961 1.00 1.00 ATOM 120 CA THR 152 2.243 3.074 13.171 1.00 1.00 ATOM 121 CA GLY 153 5.075 5.319 12.093 1.00 1.00 ATOM 122 CA HIS 154 5.159 6.053 8.313 1.00 1.00 ATOM 123 CA CYS 155 8.840 4.894 8.097 1.00 1.00 ATOM 124 CA ASN 156 7.802 1.315 8.992 1.00 1.00 ATOM 125 CA ILE 157 5.921 0.879 5.735 1.00 1.00 ATOM 126 CA ALA 158 7.680 3.260 3.224 1.00 1.00 ATOM 127 CA PRO 159 11.380 4.064 2.494 1.00 1.00 ATOM 128 CA LYS 162 11.193 7.413 4.402 1.00 1.00 ATOM 129 CA THR 163 12.625 8.909 7.619 1.00 1.00 ATOM 130 CA ASP 164 9.170 10.384 8.445 1.00 1.00 ATOM 131 CA PRO 165 8.235 11.003 11.342 1.00 1.00 ATOM 132 CA SER 168 12.002 11.479 12.200 1.00 1.00 ATOM 133 CA PHE 169 11.841 9.689 15.554 1.00 1.00 ATOM 134 CA ASP 170 11.533 6.223 16.889 1.00 1.00 ATOM 135 CA TRP 171 7.785 5.841 17.656 1.00 1.00 ATOM 136 CA ALA 172 8.062 2.664 19.778 1.00 1.00 ATOM 137 CA ARG 173 10.726 4.132 22.137 1.00 1.00 ATOM 138 CA PHE 174 8.811 7.379 22.685 1.00 1.00 ATOM 139 CA ARG 175 5.403 5.582 23.139 1.00 1.00 ATOM 140 CA ALA 176 6.999 3.201 25.658 1.00 1.00 ATOM 141 CA LEU 177 9.730 5.059 27.529 1.00 1.00 ATOM 142 CA VAL 178 8.781 8.670 26.785 1.00 1.00 ATOM 143 CA PRO 180 12.267 9.165 25.266 1.00 1.00 ATOM 144 CA SER 181 12.453 11.172 22.006 1.00 1.00 ATOM 145 CA SER 182 15.409 10.234 19.776 1.00 1.00 ATOM 146 CA HIS 183 16.074 11.151 16.171 1.00 1.00 ATOM 147 CA LYS 184 15.499 8.128 13.935 1.00 1.00 ATOM 148 CA GLU 185 14.677 6.793 10.549 1.00 1.00 ATOM 149 CA MET 186 13.445 3.517 12.045 1.00 1.00 ATOM 150 CA THR 187 11.262 2.617 15.036 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:32:29 2002 Date: Thu, 25 Jul 2002 08:32:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:05:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_173785_14541 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS189_2 Current information on models submitted in prediction T0141TS189 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 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 T0141 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1GM6_A # Loading PARENT structure: 1gm6 (chain: A) # Number of residues in PARENT structure: 158 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue C 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue D 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue P 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue N 149 # IMPORTANT NOTE! Not complete main chain atoms for residue N 150 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 160 # IMPORTANT NOTE! Not complete main chain atoms for residue R 161 # IMPORTANT NOTE! Not complete main chain atoms for residue K 162 # IMPORTANT NOTE! Not complete main chain atoms for residue T 163 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 128 # Total number of atoms in model: 128 # Number of atoms with 1.0 occupancy: 128 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 128 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1GM6_A ATOM 8 CA ARG 13 13.509 1.432 18.584 1.00 1.00 ATOM 9 CA VAL 14 9.762 1.700 19.290 1.00 1.00 ATOM 10 CA PRO 15 7.938 2.978 16.159 1.00 1.00 ATOM 11 CA SER 16 4.631 1.743 17.114 1.00 1.00 ATOM 12 CA PRO 17 3.042 2.393 20.263 1.00 1.00 ATOM 13 CA HIS 18 4.867 3.780 22.991 1.00 1.00 ATOM 14 CA TYR 19 4.638 4.250 26.692 1.00 1.00 ATOM 15 CA ASP 20 5.313 7.536 28.495 1.00 1.00 ATOM 16 CA CYS 21 6.748 6.639 31.855 1.00 1.00 ATOM 17 CA ARG 22 9.680 5.493 29.737 1.00 1.00 ATOM 18 CA PRO 23 10.072 8.737 27.786 1.00 1.00 ATOM 19 CA ASP 24 9.967 10.827 30.907 1.00 1.00 ATOM 20 CA ASP 25 13.220 12.175 32.258 1.00 1.00 ATOM 21 CA GLU 26 16.115 14.358 31.122 1.00 1.00 ATOM 22 CA ASN 27 16.909 14.791 27.440 1.00 1.00 ATOM 23 CA PRO 28 19.247 16.917 25.339 1.00 1.00 ATOM 24 CA SER 29 18.375 18.653 22.089 1.00 1.00 ATOM 25 CA LEU 30 20.934 17.547 19.465 1.00 1.00 ATOM 26 CA LEU 31 19.606 18.182 15.953 1.00 1.00 ATOM 27 CA VAL 32 16.841 20.487 14.741 1.00 1.00 ATOM 28 CA VAL 33 15.483 20.930 11.209 1.00 1.00 ATOM 29 CA HIS 34 12.682 22.972 9.589 1.00 1.00 ATOM 30 CA ASN 35 11.510 23.624 6.030 1.00 1.00 ATOM 31 CA ILE 36 11.588 27.246 7.311 1.00 1.00 ATOM 32 CA SER 37 15.137 27.520 8.785 1.00 1.00 ATOM 33 CA LEU 38 13.906 30.986 9.843 1.00 1.00 ATOM 34 CA PRO 39 12.243 29.566 12.982 1.00 1.00 ATOM 35 CA PRO 40 15.224 27.605 14.268 1.00 1.00 ATOM 36 CA GLY 41 17.916 30.219 13.769 1.00 1.00 ATOM 37 CA GLU 42 19.324 32.445 16.487 1.00 1.00 ATOM 38 CA PHE 43 16.220 34.287 17.717 1.00 1.00 ATOM 39 CA GLY 44 13.976 31.646 16.213 1.00 1.00 ATOM 40 CA GLY 45 10.991 30.683 18.349 1.00 1.00 ATOM 41 CA PRO 46 11.492 26.969 17.665 1.00 1.00 ATOM 42 CA TRP 47 15.209 27.018 18.567 1.00 1.00 ATOM 43 CA ASN 59 14.622 25.102 21.785 1.00 1.00 ATOM 44 CA ALA 60 16.856 22.985 23.976 1.00 1.00 ATOM 45 CA HIS 61 14.802 20.392 25.815 1.00 1.00 ATOM 46 CA PRO 62 15.582 19.369 29.380 1.00 1.00 ATOM 47 CA TYR 63 13.011 17.103 31.034 1.00 1.00 ATOM 48 CA PHE 64 9.725 15.464 30.236 1.00 1.00 ATOM 49 CA ALA 65 7.202 14.575 32.925 1.00 1.00 ATOM 50 CA GLY 66 4.049 12.539 32.407 1.00 1.00 ATOM 51 CA ILE 67 1.217 14.251 34.258 1.00 1.00 ATOM 52 CA ALA 68 -1.684 12.513 35.956 1.00 1.00 ATOM 53 CA HIS 69 -3.885 13.426 32.949 1.00 1.00 ATOM 54 CA LEU 70 -1.475 11.762 30.492 1.00 1.00 ATOM 55 CA ARG 71 -0.198 15.092 29.193 1.00 1.00 ATOM 56 CA VAL 72 3.553 15.578 28.900 1.00 1.00 ATOM 57 CA SER 73 5.096 18.513 30.728 1.00 1.00 ATOM 58 CA ALA 74 8.108 19.756 28.728 1.00 1.00 ATOM 59 CA HIS 75 10.798 22.004 30.193 1.00 1.00 ATOM 60 CA CYS 76 13.308 23.583 27.828 1.00 1.00 ATOM 61 CA LEU 77 15.612 26.536 27.345 1.00 1.00 ATOM 62 CA ILE 78 15.988 28.961 24.458 1.00 1.00 ATOM 63 CA ARG 79 18.298 31.914 24.179 1.00 1.00 ATOM 64 CA ARG 80 16.252 35.107 24.165 1.00 1.00 ATOM 65 CA ASP 81 17.819 38.526 23.662 1.00 1.00 ATOM 66 CA GLY 82 21.222 37.025 24.373 1.00 1.00 ATOM 67 CA GLU 83 20.041 35.449 27.617 1.00 1.00 ATOM 68 CA ILE 84 19.482 31.754 28.334 1.00 1.00 ATOM 69 CA VAL 85 15.777 31.275 29.172 1.00 1.00 ATOM 70 CA GLN 86 13.487 28.685 30.780 1.00 1.00 ATOM 71 CA TYR 87 10.133 27.679 29.247 1.00 1.00 ATOM 72 CA VAL 88 7.364 25.235 30.206 1.00 1.00 ATOM 73 CA LYS 92 4.623 23.650 28.119 1.00 1.00 ATOM 74 CA ARG 93 2.010 20.925 28.655 1.00 1.00 ATOM 75 CA ALA 94 1.313 18.773 25.615 1.00 1.00 ATOM 76 CA TRP 95 -2.021 17.010 25.557 1.00 1.00 ATOM 77 CA HIS 96 -2.280 13.471 24.197 1.00 1.00 ATOM 78 CA ALA 97 -4.395 13.428 20.981 1.00 1.00 ATOM 79 CA GLY 98 -3.293 10.110 19.706 1.00 1.00 ATOM 80 CA VAL 99 -1.064 7.246 20.495 1.00 1.00 ATOM 81 CA SER 100 2.342 8.868 20.084 1.00 1.00 ATOM 82 CA SER 101 0.772 12.206 19.113 1.00 1.00 ATOM 83 CA TYR 102 0.403 15.414 21.137 1.00 1.00 ATOM 88 CA GLU 106 3.952 30.364 18.972 1.00 1.00 ATOM 89 CA ARG 107 0.760 28.955 17.479 1.00 1.00 ATOM 90 CA CYS 108 -0.882 25.520 17.471 1.00 1.00 ATOM 91 CA ASN 109 1.551 22.654 17.410 1.00 1.00 ATOM 92 CA ASP 110 0.900 19.010 16.732 1.00 1.00 ATOM 93 CA PHE 111 3.864 16.636 16.896 1.00 1.00 ATOM 94 CA SER 112 4.329 12.904 16.479 1.00 1.00 ATOM 95 CA ILE 113 7.007 10.657 17.921 1.00 1.00 ATOM 96 CA ILE 115 8.437 8.605 15.052 1.00 1.00 ATOM 97 CA GLU 116 11.216 6.675 16.819 1.00 1.00 ATOM 98 CA LEU 117 11.908 6.080 20.479 1.00 1.00 ATOM 99 CA GLU 118 14.720 4.197 22.187 1.00 1.00 ATOM 100 CA GLY 119 13.874 5.192 25.744 1.00 1.00 ATOM 101 CA THR 120 17.499 4.609 26.635 1.00 1.00 ATOM 102 CA ASP 121 19.200 6.629 23.914 1.00 1.00 ATOM 126 CA THR 122 22.985 12.237 26.441 1.00 1.00 ATOM 127 CA LEU 123 24.521 15.479 25.077 1.00 1.00 ATOM 128 CA ALA 124 25.537 13.754 21.860 1.00 1.00 ATOM 129 CA TYR 125 24.797 10.645 19.803 1.00 1.00 ATOM 130 CA THR 126 26.833 8.611 17.369 1.00 1.00 ATOM 131 CA ASP 127 27.398 10.095 13.858 1.00 1.00 ATOM 132 CA ALA 128 25.330 7.206 12.490 1.00 1.00 ATOM 133 CA GLN 129 22.010 8.377 13.956 1.00 1.00 ATOM 134 CA TYR 130 22.937 11.860 12.768 1.00 1.00 ATOM 135 CA GLN 131 22.671 10.526 9.223 1.00 1.00 ATOM 136 CA GLN 132 19.635 8.482 10.176 1.00 1.00 ATOM 137 CA THR 137 17.986 11.804 10.965 1.00 1.00 ATOM 138 CA ASN 138 19.195 13.524 7.759 1.00 1.00 ATOM 139 CA ALA 139 17.545 10.829 5.708 1.00 1.00 ATOM 140 CA LEU 140 14.263 11.195 7.567 1.00 1.00 ATOM 141 CA ILE 141 14.297 14.981 6.972 1.00 1.00 ATOM 142 CA THR 142 15.247 14.509 3.290 1.00 1.00 ATOM 143 CA ARG 143 12.032 12.599 2.842 1.00 1.00 ATOM 144 CA TYR 144 9.866 15.250 4.478 1.00 1.00 ATOM 145 CA PRO 145 11.006 18.210 2.445 1.00 1.00 ATOM 146 CA ALA 146 13.557 19.573 4.848 1.00 1.00 ATOM 147 CA ILE 147 16.608 20.304 2.763 1.00 1.00 ATOM 148 CA ALA 148 19.999 19.288 4.137 1.00 1.00 ATOM 149 CA ASN 149 21.007 22.911 4.394 1.00 1.00 ATOM 150 CA ASN 150 18.113 23.278 6.849 1.00 1.00 ATOM 151 CA MET 151 19.404 20.834 9.480 1.00 1.00 ATOM 152 CA THR 152 21.104 22.363 12.548 1.00 1.00 ATOM 153 CA GLY 153 23.471 20.598 14.937 1.00 1.00 ATOM 154 CA HIS 154 22.849 22.089 18.368 1.00 1.00 ATOM 155 CA CYS 155 25.882 20.466 19.986 1.00 1.00 ATOM 156 CA ASN 156 28.083 23.097 18.334 1.00 1.00 ATOM 157 CA ILE 157 26.374 26.033 20.045 1.00 1.00 ATOM 158 CA ALA 158 25.394 27.178 23.545 1.00 1.00 ATOM 162 CA GLU 160 23.566 26.302 33.347 1.00 1.00 ATOM 163 CA ARG 161 19.802 26.513 33.595 1.00 1.00 ATOM 164 CA LYS 162 19.440 22.703 33.693 1.00 1.00 ATOM 165 CA THR 163 18.542 21.071 37.014 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:32:39 2002 Date: Thu, 25 Jul 2002 08:32:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:05:16 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_175018_14542 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS189_3 Current information on models submitted in prediction T0141TS189 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_3 PIN_175018_14542 5035-2079-5263 07/25/02 08:05:16 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_3 PIN_175018_14542 5035-2079-5263 07/25/02 08:05:16 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 T0141 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1I05_A # Loading PARENT structure: 1i05 (chain: A) # Number of residues in PARENT structure: 156 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue C 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue D 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue P 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue N 149 # IMPORTANT NOTE! Not complete main chain atoms for residue N 150 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue P 159 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 124 # Total number of atoms in model: 124 # Number of atoms with 1.0 occupancy: 124 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 124 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1I05_A ATOM 24 CA PRO 15 8.066 19.117 23.203 1.00 1.00 ATOM 25 CA SER 16 4.551 20.115 24.267 1.00 1.00 ATOM 26 CA PRO 17 2.926 23.460 23.473 1.00 1.00 ATOM 27 CA HIS 18 2.276 24.540 27.062 1.00 1.00 ATOM 28 CA TYR 19 6.003 24.459 27.874 1.00 1.00 ATOM 29 CA ASP 20 7.476 27.664 29.309 1.00 1.00 ATOM 30 CA CYS 21 11.278 27.473 28.935 1.00 1.00 ATOM 31 CA ARG 22 11.947 30.546 31.058 1.00 1.00 ATOM 32 CA PRO 23 10.719 28.562 34.055 1.00 1.00 ATOM 33 CA ASP 24 13.608 26.055 34.096 1.00 1.00 ATOM 34 CA ASP 25 16.039 28.917 34.549 1.00 1.00 ATOM 35 CA GLU 26 18.181 28.803 37.648 1.00 1.00 ATOM 36 CA ASN 27 19.750 26.326 40.019 1.00 1.00 ATOM 37 CA PRO 28 19.508 22.541 39.553 1.00 1.00 ATOM 38 CA SER 29 21.371 19.459 40.813 1.00 1.00 ATOM 39 CA LEU 30 22.106 16.064 39.288 1.00 1.00 ATOM 40 CA LEU 31 20.144 13.477 41.246 1.00 1.00 ATOM 41 CA VAL 32 20.237 10.364 39.071 1.00 1.00 ATOM 42 CA VAL 33 21.992 9.546 35.778 1.00 1.00 ATOM 43 CA HIS 34 21.227 6.560 33.533 1.00 1.00 ATOM 44 CA ASN 35 22.585 5.308 30.220 1.00 1.00 ATOM 45 CA ILE 36 22.528 2.196 28.051 1.00 1.00 ATOM 46 CA SER 37 26.313 2.716 28.013 1.00 1.00 ATOM 47 CA LEU 38 27.169 2.555 31.729 1.00 1.00 ATOM 48 CA PRO 39 30.861 3.425 31.380 1.00 1.00 ATOM 49 CA PRO 40 29.865 6.910 30.186 1.00 1.00 ATOM 50 CA GLY 41 28.435 7.787 33.612 1.00 1.00 ATOM 51 CA GLU 42 30.768 5.834 35.859 1.00 1.00 ATOM 52 CA PHE 43 33.455 7.397 38.081 1.00 1.00 ATOM 53 CA GLY 44 35.716 8.385 35.168 1.00 1.00 ATOM 54 CA GLY 45 33.068 8.905 32.496 1.00 1.00 ATOM 55 CA PRO 46 32.827 12.055 30.387 1.00 1.00 ATOM 56 CA TRP 47 29.100 12.209 30.981 1.00 1.00 ATOM 57 CA HIS 61 29.073 11.990 34.765 1.00 1.00 ATOM 58 CA PRO 62 28.243 15.690 34.939 1.00 1.00 ATOM 59 CA TYR 63 26.792 17.561 37.886 1.00 1.00 ATOM 60 CA PHE 64 24.494 20.308 36.636 1.00 1.00 ATOM 61 CA ALA 65 24.565 23.508 38.676 1.00 1.00 ATOM 62 CA GLY 66 22.667 26.077 36.657 1.00 1.00 ATOM 63 CA ILE 67 20.671 26.674 33.503 1.00 1.00 ATOM 64 CA ALA 68 20.447 30.148 31.969 1.00 1.00 ATOM 65 CA HIS 69 17.654 30.438 29.401 1.00 1.00 ATOM 66 CA LEU 70 18.351 32.489 26.269 1.00 1.00 ATOM 67 CA ARG 71 16.124 33.259 23.277 1.00 1.00 ATOM 68 CA VAL 72 17.464 30.392 21.138 1.00 1.00 ATOM 69 CA SER 73 19.950 28.711 23.448 1.00 1.00 ATOM 70 CA ALA 74 20.540 27.281 26.891 1.00 1.00 ATOM 71 CA HIS 75 23.673 28.016 28.910 1.00 1.00 ATOM 72 CA CYS 76 24.539 24.945 30.993 1.00 1.00 ATOM 73 CA LEU 77 26.969 25.096 33.901 1.00 1.00 ATOM 78 CA ARG 80 37.859 13.559 40.288 1.00 1.00 ATOM 79 CA ASP 81 38.405 12.031 43.732 1.00 1.00 ATOM 80 CA GLY 82 36.256 14.730 45.335 1.00 1.00 ATOM 81 CA GLU 83 37.979 17.603 43.536 1.00 1.00 ATOM 82 CA ILE 84 35.513 19.691 41.530 1.00 1.00 ATOM 83 CA VAL 85 36.146 21.502 38.243 1.00 1.00 ATOM 84 CA GLN 86 33.877 24.053 36.553 1.00 1.00 ATOM 85 CA TYR 87 32.565 23.279 33.064 1.00 1.00 ATOM 86 CA VAL 88 30.245 25.364 30.876 1.00 1.00 ATOM 87 CA PRO 89 28.615 24.883 27.489 1.00 1.00 ATOM 88 CA PHE 90 25.852 26.300 25.333 1.00 1.00 ATOM 89 CA ASP 91 23.129 24.204 23.738 1.00 1.00 ATOM 90 CA LYS 92 21.302 25.621 20.706 1.00 1.00 ATOM 91 CA ARG 93 17.739 24.996 19.560 1.00 1.00 ATOM 92 CA ALA 94 17.390 22.591 16.651 1.00 1.00 ATOM 93 CA TRP 95 14.695 22.600 13.971 1.00 1.00 ATOM 94 CA HIS 96 12.483 20.521 16.274 1.00 1.00 ATOM 95 CA ALA 97 10.429 22.191 19.007 1.00 1.00 ATOM 96 CA GLY 98 11.706 21.582 22.532 1.00 1.00 ATOM 97 CA VAL 99 14.958 20.024 21.337 1.00 1.00 ATOM 98 CA SER 100 18.495 21.341 21.792 1.00 1.00 ATOM 99 CA SER 101 21.907 20.318 20.511 1.00 1.00 ATOM 100 CA TYR 102 25.420 20.658 21.859 1.00 1.00 ATOM 101 CA GLY 104 28.859 19.474 20.818 1.00 1.00 ATOM 102 CA ARG 105 30.570 17.556 23.602 1.00 1.00 ATOM 103 CA GLU 106 32.527 14.357 22.968 1.00 1.00 ATOM 104 CA ARG 107 30.427 13.897 19.843 1.00 1.00 ATOM 105 CA CYS 108 27.141 15.490 18.767 1.00 1.00 ATOM 106 CA ASN 109 24.295 15.616 21.303 1.00 1.00 ATOM 107 CA ASP 110 20.604 16.377 21.003 1.00 1.00 ATOM 108 CA PHE 111 18.322 16.466 24.019 1.00 1.00 ATOM 109 CA SER 112 14.757 17.100 25.099 1.00 1.00 ATOM 110 CA ILE 113 13.010 17.445 28.459 1.00 1.00 ATOM 111 CA GLY 114 10.320 14.739 28.562 1.00 1.00 ATOM 112 CA LEU 117 9.059 16.000 31.907 1.00 1.00 ATOM 113 CA GLU 118 9.465 18.714 34.503 1.00 1.00 ATOM 114 CA GLY 119 7.322 20.536 37.029 1.00 1.00 ATOM 115 CA THR 120 9.661 23.571 37.040 1.00 1.00 ATOM 116 CA ASP 121 9.861 23.990 40.819 1.00 1.00 ATOM 141 CA THR 122 17.184 20.637 45.822 1.00 1.00 ATOM 142 CA LEU 123 20.175 18.226 46.169 1.00 1.00 ATOM 143 CA ALA 124 17.763 15.285 46.567 1.00 1.00 ATOM 144 CA TYR 125 14.230 14.224 45.614 1.00 1.00 ATOM 145 CA THR 126 11.550 11.941 47.078 1.00 1.00 ATOM 146 CA ASP 127 11.732 8.195 46.423 1.00 1.00 ATOM 147 CA ALA 128 8.458 8.436 44.477 1.00 1.00 ATOM 148 CA GLN 129 9.960 10.834 41.951 1.00 1.00 ATOM 149 CA TYR 130 13.080 8.683 41.684 1.00 1.00 ATOM 150 CA GLN 131 10.987 5.555 41.012 1.00 1.00 ATOM 151 CA GLN 132 8.906 7.455 38.473 1.00 1.00 ATOM 152 CA THR 137 12.206 8.285 36.751 1.00 1.00 ATOM 153 CA ASN 138 13.249 4.617 36.850 1.00 1.00 ATOM 154 CA ALA 139 9.968 3.708 35.096 1.00 1.00 ATOM 155 CA LEU 140 10.592 6.201 32.305 1.00 1.00 ATOM 156 CA ILE 141 14.091 4.744 31.867 1.00 1.00 ATOM 157 CA THR 142 12.519 1.310 31.525 1.00 1.00 ATOM 158 CA ARG 143 10.303 2.510 28.676 1.00 1.00 ATOM 159 CA TYR 144 13.481 3.649 26.909 1.00 1.00 ATOM 160 CA PRO 145 15.112 0.260 27.377 1.00 1.00 ATOM 161 CA ALA 146 17.348 1.186 30.300 1.00 1.00 ATOM 162 CA ILE 147 17.486 -1.323 33.171 1.00 1.00 ATOM 163 CA ALA 148 18.039 -0.561 36.857 1.00 1.00 ATOM 164 CA ASN 149 21.610 -1.875 36.829 1.00 1.00 ATOM 165 CA ASN 150 22.352 1.086 34.540 1.00 1.00 ATOM 166 CA MET 151 20.752 3.739 36.745 1.00 1.00 ATOM 167 CA THR 152 23.083 5.501 39.192 1.00 1.00 ATOM 168 CA GLY 153 21.833 7.574 42.140 1.00 1.00 ATOM 169 CA HIS 154 24.319 10.408 42.779 1.00 1.00 ATOM 170 CA CYS 155 22.271 12.334 45.348 1.00 1.00 ATOM 171 CA ASN 156 24.921 11.594 47.988 1.00 1.00 ATOM 172 CA ILE 157 27.830 12.716 45.807 1.00 1.00 ATOM 173 CA ALA 158 26.539 15.821 44.022 1.00 1.00 ATOM 174 CA PRO 159 28.173 18.393 46.310 1.00 1.00 ATOM 175 CA PHE 169 31.649 19.935 46.372 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:33:08 2002 Date: Thu, 25 Jul 2002 08:33:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:05:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_176988_14543 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS189_4 Current information on models submitted in prediction T0141TS189 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_4 PIN_176988_14543 5035-2079-5263 07/25/02 08:05:31 casp5@bialko.llnl.gov T0141TS189_3 PIN_175018_14542 5035-2079-5263 07/25/02 08:05:16 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_3 PIN_175018_14542 5035-2079-5263 07/25/02 08:05:16 casp5@bialko.llnl.gov T0141TS189_4 PIN_176988_14543 5035-2079-5263 07/25/02 08:05:31 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 T0141 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1JV4_A # Loading PARENT structure: 1jv4 (chain: A) # Number of residues in PARENT structure: 157 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue E 10 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 11 # IMPORTANT NOTE! Not complete main chain atoms for residue R 12 # IMPORTANT NOTE! Not complete main chain atoms for residue R 13 # IMPORTANT NOTE! Not complete main chain atoms for residue V 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue P 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 19 # IMPORTANT NOTE! Not complete main chain atoms for residue D 20 # IMPORTANT NOTE! Not complete main chain atoms for residue C 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue D 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue P 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue A 94 # IMPORTANT NOTE! Not complete main chain atoms for residue W 95 # IMPORTANT NOTE! Not complete main chain atoms for residue H 96 # IMPORTANT NOTE! Not complete main chain atoms for residue A 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue V 99 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue N 149 # IMPORTANT NOTE! Not complete main chain atoms for residue N 150 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue P 159 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 131 # Total number of atoms in model: 131 # Number of atoms with 1.0 occupancy: 131 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 131 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1JV4_A ATOM 1 CA GLU 10 28.668 -7.049 13.046 1.00 1.00 ATOM 2 CA ALA 11 26.216 -4.437 11.723 1.00 1.00 ATOM 3 CA ARG 12 24.858 -4.744 8.179 1.00 1.00 ATOM 4 CA ARG 13 22.488 -3.206 5.616 1.00 1.00 ATOM 5 CA VAL 14 19.548 -5.003 3.981 1.00 1.00 ATOM 6 CA PRO 15 20.627 -3.636 0.607 1.00 1.00 ATOM 7 CA SER 16 24.161 -4.608 1.574 1.00 1.00 ATOM 8 CA PRO 17 25.812 -7.788 0.321 1.00 1.00 ATOM 9 CA HIS 18 26.636 -9.237 3.755 1.00 1.00 ATOM 10 CA TYR 19 23.012 -9.088 4.923 1.00 1.00 ATOM 11 CA ASP 20 21.531 -12.144 6.569 1.00 1.00 ATOM 12 CA CYS 21 17.773 -11.542 6.737 1.00 1.00 ATOM 13 CA ARG 22 17.615 -14.736 8.774 1.00 1.00 ATOM 14 CA PRO 23 19.225 -12.991 11.730 1.00 1.00 ATOM 15 CA ASP 24 16.354 -10.478 12.121 1.00 1.00 ATOM 16 CA ASP 25 13.958 -13.292 13.010 1.00 1.00 ATOM 17 CA GLU 26 12.208 -13.031 16.352 1.00 1.00 ATOM 18 CA ASN 27 11.280 -10.509 19.009 1.00 1.00 ATOM 19 CA PRO 28 11.356 -6.752 18.387 1.00 1.00 ATOM 20 CA SER 29 9.890 -3.633 19.972 1.00 1.00 ATOM 21 CA LEU 30 9.044 -0.287 18.458 1.00 1.00 ATOM 22 CA LEU 31 11.307 2.322 20.116 1.00 1.00 ATOM 23 CA VAL 32 11.082 5.404 17.842 1.00 1.00 ATOM 24 CA VAL 33 9.019 6.342 14.794 1.00 1.00 ATOM 25 CA HIS 34 9.761 9.290 12.474 1.00 1.00 ATOM 26 CA ASN 35 7.904 10.618 9.457 1.00 1.00 ATOM 27 CA ILE 36 7.650 13.286 6.790 1.00 1.00 ATOM 28 CA SER 37 3.967 13.471 7.708 1.00 1.00 ATOM 29 CA LEU 38 3.677 13.554 11.466 1.00 1.00 ATOM 30 CA PRO 39 -0.065 12.843 11.596 1.00 1.00 ATOM 31 CA PRO 40 0.645 9.305 10.321 1.00 1.00 ATOM 32 CA GLY 41 2.471 8.421 13.540 1.00 1.00 ATOM 33 CA GLU 42 0.545 10.486 16.064 1.00 1.00 ATOM 34 CA PHE 43 -2.073 9.183 18.516 1.00 1.00 ATOM 35 CA GLY 44 -4.655 8.322 15.862 1.00 1.00 ATOM 36 CA GLY 45 -2.228 7.511 13.063 1.00 1.00 ATOM 37 CA PRO 46 -2.448 4.370 10.923 1.00 1.00 ATOM 38 CA TRP 47 1.312 3.919 11.049 1.00 1.00 ATOM 39 CA HIS 61 1.683 4.169 14.823 1.00 1.00 ATOM 40 CA PRO 62 2.428 0.459 14.957 1.00 1.00 ATOM 41 CA TYR 63 4.105 -1.457 17.721 1.00 1.00 ATOM 42 CA PHE 64 6.107 -4.316 16.298 1.00 1.00 ATOM 43 CA ALA 65 6.236 -7.537 18.307 1.00 1.00 ATOM 44 CA GLY 66 7.709 -10.175 16.032 1.00 1.00 ATOM 45 CA ILE 67 9.219 -10.759 12.619 1.00 1.00 ATOM 46 CA ALA 68 9.022 -14.209 11.095 1.00 1.00 ATOM 47 CA HIS 69 11.506 -14.628 8.254 1.00 1.00 ATOM 48 CA LEU 70 10.354 -16.920 5.448 1.00 1.00 ATOM 49 CA ARG 71 12.155 -17.749 2.198 1.00 1.00 ATOM 50 CA VAL 72 10.716 -14.937 0.048 1.00 1.00 ATOM 51 CA SER 73 8.689 -12.942 2.588 1.00 1.00 ATOM 52 CA ALA 74 8.448 -11.550 6.144 1.00 1.00 ATOM 53 CA HIS 75 5.481 -12.068 8.459 1.00 1.00 ATOM 54 CA CYS 76 5.107 -8.934 10.612 1.00 1.00 ATOM 55 CA LEU 77 3.142 -9.024 13.845 1.00 1.00 ATOM 56 CA ILE 78 2.078 -5.719 15.415 1.00 1.00 ATOM 57 CA ARG 79 -0.308 -4.272 17.927 1.00 1.00 ATOM 60 CA ARG 80 -6.619 3.240 20.397 1.00 1.00 ATOM 61 CA ASP 81 -7.547 4.816 23.731 1.00 1.00 ATOM 62 CA GLY 82 -5.470 2.289 25.690 1.00 1.00 ATOM 63 CA GLU 83 -7.315 -0.412 23.727 1.00 1.00 ATOM 64 CA ILE 84 -4.852 -2.694 21.966 1.00 1.00 ATOM 65 CA VAL 85 -5.631 -4.813 18.928 1.00 1.00 ATOM 66 CA GLN 86 -3.480 -7.181 16.918 1.00 1.00 ATOM 67 CA TYR 87 -2.514 -6.783 13.305 1.00 1.00 ATOM 68 CA VAL 88 -0.462 -9.004 11.027 1.00 1.00 ATOM 69 CA PRO 89 1.019 -8.392 7.599 1.00 1.00 ATOM 70 CA PHE 90 3.039 -10.368 5.048 1.00 1.00 ATOM 71 CA ASP 91 5.755 -8.427 3.202 1.00 1.00 ATOM 72 CA LYS 92 7.121 -9.862 -0.060 1.00 1.00 ATOM 73 CA ARG 93 10.667 -9.483 -1.396 1.00 1.00 ATOM 74 CA ALA 94 10.814 -7.218 -4.462 1.00 1.00 ATOM 75 CA TRP 95 13.472 -7.371 -7.144 1.00 1.00 ATOM 76 CA HIS 96 15.614 -4.751 -5.446 1.00 1.00 ATOM 77 CA ALA 97 18.254 -6.079 -3.042 1.00 1.00 ATOM 78 CA GLY 98 17.038 -6.008 0.557 1.00 1.00 ATOM 79 CA VAL 99 13.688 -4.409 -0.259 1.00 1.00 ATOM 80 CA SER 100 10.199 -5.671 0.641 1.00 1.00 ATOM 81 CA SER 101 6.689 -4.511 -0.234 1.00 1.00 ATOM 82 CA TYR 102 3.348 -4.702 1.527 1.00 1.00 ATOM 83 CA GLY 104 -0.129 -3.278 0.915 1.00 1.00 ATOM 84 CA ARG 105 -1.364 -1.292 3.941 1.00 1.00 ATOM 85 CA GLU 106 -3.125 2.065 3.660 1.00 1.00 ATOM 86 CA ARG 107 -1.537 2.330 0.224 1.00 1.00 ATOM 87 CA CYS 108 1.500 0.616 -1.253 1.00 1.00 ATOM 88 CA ASN 109 4.671 0.433 0.840 1.00 1.00 ATOM 89 CA ASP 110 8.240 -0.543 0.089 1.00 1.00 ATOM 90 CA PHE 111 10.839 -0.768 2.830 1.00 1.00 ATOM 91 CA SER 112 14.491 -1.530 3.394 1.00 1.00 ATOM 92 CA ILE 113 16.681 -1.906 6.455 1.00 1.00 ATOM 93 CA GLY 114 19.553 0.600 6.188 1.00 1.00 ATOM 94 CA LEU 117 21.204 -0.453 9.456 1.00 1.00 ATOM 95 CA GLU 118 21.005 -3.269 11.994 1.00 1.00 ATOM 96 CA GLY 119 23.330 -5.167 14.335 1.00 1.00 ATOM 97 CA THR 120 20.813 -8.022 14.593 1.00 1.00 ATOM 98 CA ASP 121 21.109 -8.566 18.348 1.00 1.00 ATOM 123 CA THR 122 14.706 -4.982 24.363 1.00 1.00 ATOM 124 CA LEU 123 11.944 -2.517 25.272 1.00 1.00 ATOM 125 CA ALA 124 14.360 0.435 25.210 1.00 1.00 ATOM 126 CA TYR 125 17.641 1.402 23.585 1.00 1.00 ATOM 127 CA THR 126 20.578 3.483 24.739 1.00 1.00 ATOM 128 CA ASP 127 20.386 7.256 24.252 1.00 1.00 ATOM 129 CA ALA 128 23.426 6.918 21.967 1.00 1.00 ATOM 130 CA GLN 129 21.593 4.622 19.567 1.00 1.00 ATOM 131 CA TYR 130 18.596 6.944 19.685 1.00 1.00 ATOM 132 CA GLN 131 20.859 9.862 18.671 1.00 1.00 ATOM 133 CA GLN 132 22.330 7.813 15.826 1.00 1.00 ATOM 134 CA THR 137 18.805 7.293 14.589 1.00 1.00 ATOM 135 CA ASN 138 18.125 11.008 14.727 1.00 1.00 ATOM 136 CA ALA 139 21.224 11.536 12.601 1.00 1.00 ATOM 137 CA LEU 140 19.998 9.095 9.955 1.00 1.00 ATOM 138 CA ILE 141 16.587 10.811 9.986 1.00 1.00 ATOM 139 CA THR 142 18.354 14.130 9.341 1.00 1.00 ATOM 140 CA ARG 143 20.057 12.576 6.324 1.00 1.00 ATOM 141 CA TYR 144 16.622 11.836 4.924 1.00 1.00 ATOM 142 CA PRO 145 15.262 15.292 5.601 1.00 1.00 ATOM 143 CA ALA 146 13.249 14.369 8.712 1.00 1.00 ATOM 144 CA ILE 147 13.627 16.966 11.481 1.00 1.00 ATOM 145 CA ALA 148 13.608 16.152 15.197 1.00 1.00 ATOM 146 CA ASN 149 10.144 17.637 15.729 1.00 1.00 ATOM 147 CA ASN 150 8.859 14.756 13.596 1.00 1.00 ATOM 148 CA MET 151 10.679 12.043 15.636 1.00 1.00 ATOM 149 CA THR 152 8.560 10.431 18.343 1.00 1.00 ATOM 150 CA GLY 153 10.051 8.286 21.099 1.00 1.00 ATOM 151 CA HIS 154 7.438 5.597 21.868 1.00 1.00 ATOM 152 CA CYS 155 9.535 3.579 24.310 1.00 1.00 ATOM 153 CA ASN 156 7.355 4.487 27.313 1.00 1.00 ATOM 154 CA ILE 157 4.246 3.551 25.334 1.00 1.00 ATOM 155 CA ALA 158 5.541 0.324 23.773 1.00 1.00 ATOM 156 CA PRO 159 3.816 -1.844 26.381 1.00 1.00 ATOM 157 CA PHE 169 0.993 -4.312 25.636 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 08:33:18 2002 Date: Thu, 25 Jul 2002 08:33:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0141 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Jul 25 08:05:46 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_177817_14544 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0141TS189_5 Current information on models submitted in prediction T0141TS189 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_5 PIN_177817_14544 5035-2079-5263 07/25/02 08:05:46 casp5@bialko.llnl.gov T0141TS189_4 PIN_176988_14543 5035-2079-5263 07/25/02 08:05:31 casp5@bialko.llnl.gov T0141TS189_3 PIN_175018_14542 5035-2079-5263 07/25/02 08:05:16 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 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 T0141 MODEL_INDEX PIN CODE DATE E-mail T0141TS189_1 PIN_168952_14540 5035-2079-5263 07/25/02 08:04:46 casp5@bialko.llnl.gov T0141TS189_2 PIN_173785_14541 5035-2079-5263 07/25/02 08:05:01 casp5@bialko.llnl.gov T0141TS189_3 PIN_175018_14542 5035-2079-5263 07/25/02 08:05:16 casp5@bialko.llnl.gov T0141TS189_4 PIN_176988_14543 5035-2079-5263 07/25/02 08:05:31 casp5@bialko.llnl.gov T0141TS189_5 PIN_177817_14544 5035-2079-5263 07/25/02 08:05:46 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 T0141 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1BJ7 # Loading PARENT structure: 1bj7 (chain: ) # Number of residues in PARENT structure: 150 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue C 21 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue P 23 # IMPORTANT NOTE! Not complete main chain atoms for residue D 24 # IMPORTANT NOTE! Not complete main chain atoms for residue D 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue N 27 # IMPORTANT NOTE! Not complete main chain atoms for residue P 28 # IMPORTANT NOTE! Not complete main chain atoms for residue S 29 # IMPORTANT NOTE! Not complete main chain atoms for residue L 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue V 32 # IMPORTANT NOTE! Not complete main chain atoms for residue V 33 # IMPORTANT NOTE! Not complete main chain atoms for residue H 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue I 36 # IMPORTANT NOTE! Not complete main chain atoms for residue S 37 # IMPORTANT NOTE! Not complete main chain atoms for residue L 38 # IMPORTANT NOTE! Not complete main chain atoms for residue P 39 # IMPORTANT NOTE! Not complete main chain atoms for residue P 40 # IMPORTANT NOTE! Not complete main chain atoms for residue G 41 # IMPORTANT NOTE! Not complete main chain atoms for residue E 42 # IMPORTANT NOTE! Not complete main chain atoms for residue F 43 # IMPORTANT NOTE! Not complete main chain atoms for residue G 44 # IMPORTANT NOTE! Not complete main chain atoms for residue G 45 # IMPORTANT NOTE! Not complete main chain atoms for residue P 46 # IMPORTANT NOTE! Not complete main chain atoms for residue W 47 # IMPORTANT NOTE! Not complete main chain atoms for residue N 59 # IMPORTANT NOTE! Not complete main chain atoms for residue A 60 # IMPORTANT NOTE! Not complete main chain atoms for residue H 61 # IMPORTANT NOTE! Not complete main chain atoms for residue P 62 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue A 65 # IMPORTANT NOTE! Not complete main chain atoms for residue G 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue A 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue L 70 # IMPORTANT NOTE! Not complete main chain atoms for residue R 71 # IMPORTANT NOTE! Not complete main chain atoms for residue V 72 # IMPORTANT NOTE! Not complete main chain atoms for residue S 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue H 75 # IMPORTANT NOTE! Not complete main chain atoms for residue C 76 # IMPORTANT NOTE! Not complete main chain atoms for residue L 77 # IMPORTANT NOTE! Not complete main chain atoms for residue I 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue R 80 # IMPORTANT NOTE! Not complete main chain atoms for residue D 81 # IMPORTANT NOTE! Not complete main chain atoms for residue G 82 # IMPORTANT NOTE! Not complete main chain atoms for residue E 83 # IMPORTANT NOTE! Not complete main chain atoms for residue I 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 86 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue P 89 # IMPORTANT NOTE! Not complete main chain atoms for residue F 90 # IMPORTANT NOTE! Not complete main chain atoms for residue D 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue R 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 103 # IMPORTANT NOTE! Not complete main chain atoms for residue G 104 # IMPORTANT NOTE! Not complete main chain atoms for residue R 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue C 108 # IMPORTANT NOTE! Not complete main chain atoms for residue N 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue F 111 # IMPORTANT NOTE! Not complete main chain atoms for residue S 112 # IMPORTANT NOTE! Not complete main chain atoms for residue I 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue L 117 # IMPORTANT NOTE! Not complete main chain atoms for residue E 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue L 123 # IMPORTANT NOTE! Not complete main chain atoms for residue A 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue D 127 # IMPORTANT NOTE! Not complete main chain atoms for residue A 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 129 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 130 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 131 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 137 # IMPORTANT NOTE! Not complete main chain atoms for residue N 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue L 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 144 # IMPORTANT NOTE! Not complete main chain atoms for residue P 145 # IMPORTANT NOTE! Not complete main chain atoms for residue A 146 # IMPORTANT NOTE! Not complete main chain atoms for residue I 147 # IMPORTANT NOTE! Not complete main chain atoms for residue A 148 # IMPORTANT NOTE! Not complete main chain atoms for residue N 149 # IMPORTANT NOTE! Not complete main chain atoms for residue N 150 # IMPORTANT NOTE! Not complete main chain atoms for residue M 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue H 154 # IMPORTANT NOTE! Not complete main chain atoms for residue C 155 # IMPORTANT NOTE! Not complete main chain atoms for residue N 156 # IMPORTANT NOTE! Not complete main chain atoms for residue I 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue S 168 # IMPORTANT NOTE! Not complete main chain atoms for residue F 169 # IMPORTANT NOTE! Not complete main chain atoms for residue D 170 # IMPORTANT NOTE! Not complete main chain atoms for residue W 171 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0141 # Total number of residues in target: 187 # Total number of residues in model: 121 # Total number of atoms in model: 121 # Number of atoms with 1.0 occupancy: 121 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 121 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0141 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1BJ7 ATOM 7 CA CYS 21 10.628 19.589 19.774 1.00 1.00 ATOM 8 CA ARG 22 7.625 21.809 20.404 1.00 1.00 ATOM 9 CA PRO 23 5.229 19.427 22.205 1.00 1.00 ATOM 10 CA ASP 24 2.256 21.555 21.132 1.00 1.00 ATOM 11 CA ASP 25 2.790 20.567 17.498 1.00 1.00 ATOM 12 CA GLU 26 2.453 16.848 18.267 1.00 1.00 ATOM 13 CA ASN 27 -1.367 16.519 18.313 1.00 1.00 ATOM 14 CA PRO 28 -3.099 16.850 14.985 1.00 1.00 ATOM 15 CA SER 29 -4.131 15.297 11.725 1.00 1.00 ATOM 16 CA LEU 30 -1.056 13.618 10.261 1.00 1.00 ATOM 17 CA LEU 31 -0.596 11.525 7.133 1.00 1.00 ATOM 18 CA VAL 32 2.214 8.986 6.861 1.00 1.00 ATOM 19 CA VAL 33 4.358 9.624 3.812 1.00 1.00 ATOM 20 CA HIS 34 7.259 7.256 4.472 1.00 1.00 ATOM 21 CA ASN 35 8.363 4.371 6.653 1.00 1.00 ATOM 22 CA ILE 36 11.827 2.801 6.724 1.00 1.00 ATOM 23 CA SER 37 12.998 -0.261 8.675 1.00 1.00 ATOM 24 CA LEU 38 15.949 -2.645 8.984 1.00 1.00 ATOM 25 CA PRO 39 13.522 -5.614 8.745 1.00 1.00 ATOM 26 CA PRO 40 11.716 -4.492 5.593 1.00 1.00 ATOM 27 CA GLY 41 9.208 -7.333 5.721 1.00 1.00 ATOM 28 CA GLU 42 7.616 -5.481 8.663 1.00 1.00 ATOM 29 CA PHE 43 6.627 -2.426 6.577 1.00 1.00 ATOM 30 CA GLY 44 5.776 -3.809 3.137 1.00 1.00 ATOM 31 CA GLY 45 2.125 -4.158 2.149 1.00 1.00 ATOM 32 CA PRO 46 0.769 -6.845 4.446 1.00 1.00 ATOM 33 CA TRP 47 3.271 -6.043 7.172 1.00 1.00 ATOM 34 CA ASN 59 2.110 -5.486 10.784 1.00 1.00 ATOM 35 CA ALA 60 4.036 -2.208 11.026 1.00 1.00 ATOM 36 CA HIS 61 2.618 -0.641 7.840 1.00 1.00 ATOM 37 CA PRO 62 0.316 1.820 9.646 1.00 1.00 ATOM 38 CA TYR 63 -1.732 4.458 7.844 1.00 1.00 ATOM 39 CA PHE 64 -1.821 7.401 10.221 1.00 1.00 ATOM 44 CA ALA 65 -2.299 14.015 23.481 1.00 1.00 ATOM 45 CA GLY 66 -3.993 12.901 26.664 1.00 1.00 ATOM 46 CA ILE 67 -3.854 16.077 28.757 1.00 1.00 ATOM 47 CA ALA 68 -0.435 17.536 27.930 1.00 1.00 ATOM 48 CA HIS 69 0.918 14.412 26.136 1.00 1.00 ATOM 49 CA LEU 70 1.683 12.182 29.114 1.00 1.00 ATOM 50 CA ARG 71 0.046 9.638 26.811 1.00 1.00 ATOM 51 CA VAL 72 -0.525 9.640 23.053 1.00 1.00 ATOM 52 CA SER 73 -3.695 8.361 21.401 1.00 1.00 ATOM 53 CA ALA 74 -2.819 7.204 17.862 1.00 1.00 ATOM 54 CA HIS 75 -5.543 6.489 15.323 1.00 1.00 ATOM 55 CA CYS 76 -4.549 4.715 12.092 1.00 1.00 ATOM 56 CA LEU 77 -5.664 2.176 9.510 1.00 1.00 ATOM 57 CA ILE 78 -4.252 -1.327 9.163 1.00 1.00 ATOM 58 CA ARG 79 -5.122 -2.778 5.759 1.00 1.00 ATOM 59 CA ARG 80 -5.909 -6.243 7.126 1.00 1.00 ATOM 60 CA ASP 81 -7.510 -9.075 5.152 1.00 1.00 ATOM 61 CA GLY 82 -8.209 -6.696 2.264 1.00 1.00 ATOM 62 CA GLU 83 -10.112 -4.475 4.697 1.00 1.00 ATOM 63 CA ILE 84 -9.216 -1.072 6.123 1.00 1.00 ATOM 64 CA VAL 85 -9.336 -1.646 9.857 1.00 1.00 ATOM 65 CA GLN 86 -9.558 1.500 12.012 1.00 1.00 ATOM 66 CA TYR 87 -7.524 1.237 15.217 1.00 1.00 ATOM 67 CA VAL 88 -6.777 3.621 18.089 1.00 1.00 ATOM 68 CA PRO 89 -3.836 2.654 20.333 1.00 1.00 ATOM 69 CA PHE 90 -2.544 4.449 23.418 1.00 1.00 ATOM 70 CA ASP 91 1.158 4.911 24.157 1.00 1.00 ATOM 71 CA LYS 92 2.326 5.851 27.671 1.00 1.00 ATOM 72 CA ARG 93 5.198 8.303 28.266 1.00 1.00 ATOM 75 CA SER 100 10.797 12.734 27.757 1.00 1.00 ATOM 76 CA SER 101 9.381 11.999 24.312 1.00 1.00 ATOM 77 CA TYR 102 9.851 8.233 24.553 1.00 1.00 ATOM 78 CA GLN 103 6.548 6.329 24.885 1.00 1.00 ATOM 79 CA GLY 104 5.783 2.620 25.245 1.00 1.00 ATOM 80 CA ARG 105 3.164 0.822 23.193 1.00 1.00 ATOM 81 CA GLU 106 1.985 -2.773 22.865 1.00 1.00 ATOM 82 CA ARG 107 1.244 -3.294 19.180 1.00 1.00 ATOM 83 CA CYS 108 2.331 -6.485 17.403 1.00 1.00 ATOM 84 CA ASN 109 4.815 -6.853 20.246 1.00 1.00 ATOM 85 CA ASP 110 6.439 -4.378 22.625 1.00 1.00 ATOM 86 CA PHE 111 7.357 -0.963 21.242 1.00 1.00 ATOM 87 CA SER 112 9.249 2.135 22.294 1.00 1.00 ATOM 88 CA ILE 113 8.135 5.058 20.152 1.00 1.00 ATOM 89 CA GLY 114 10.216 8.246 20.274 1.00 1.00 ATOM 90 CA ILE 115 9.300 11.565 18.670 1.00 1.00 ATOM 91 CA GLU 116 12.655 12.618 17.286 1.00 1.00 ATOM 92 CA LEU 117 11.502 15.583 15.214 1.00 1.00 ATOM 93 CA GLU 118 8.326 17.650 15.150 1.00 1.00 ATOM 94 CA GLY 119 7.531 20.807 13.272 1.00 1.00 ATOM 95 CA THR 120 4.395 22.500 11.938 1.00 1.00 ATOM 96 CA ASP 121 4.384 20.300 8.806 1.00 1.00 ATOM 120 CA THR 122 0.327 17.399 3.291 1.00 1.00 ATOM 121 CA LEU 123 0.912 14.445 0.968 1.00 1.00 ATOM 122 CA ALA 124 4.667 14.810 0.470 1.00 1.00 ATOM 123 CA TYR 125 8.042 16.004 1.710 1.00 1.00 ATOM 124 CA THR 126 10.031 18.737 -0.013 1.00 1.00 ATOM 125 CA ASP 127 13.641 17.701 -0.888 1.00 1.00 ATOM 126 CA ALA 128 14.884 19.521 2.253 1.00 1.00 ATOM 127 CA GLN 129 12.467 17.513 4.473 1.00 1.00 ATOM 128 CA TYR 130 13.377 14.232 2.805 1.00 1.00 ATOM 129 CA GLN 131 17.099 15.083 3.256 1.00 1.00 ATOM 130 CA GLN 132 16.447 15.560 6.994 1.00 1.00 ATOM 131 CA THR 137 14.412 12.344 7.296 1.00 1.00 ATOM 132 CA ASN 138 17.123 10.312 5.500 1.00 1.00 ATOM 133 CA ALA 139 19.736 11.807 7.814 1.00 1.00 ATOM 134 CA LEU 140 17.756 10.874 10.949 1.00 1.00 ATOM 135 CA ILE 141 17.580 7.319 9.568 1.00 1.00 ATOM 136 CA THR 142 21.353 7.076 9.059 1.00 1.00 ATOM 137 CA ARG 143 21.998 8.261 12.602 1.00 1.00 ATOM 138 CA TYR 144 19.934 5.311 13.867 1.00 1.00 ATOM 139 CA PRO 145 21.170 2.596 11.542 1.00 1.00 ATOM 140 CA ALA 146 17.898 2.442 9.626 1.00 1.00 ATOM 141 CA ILE 147 18.693 1.781 5.903 1.00 1.00 ATOM 142 CA ALA 148 17.495 4.455 3.500 1.00 1.00 ATOM 143 CA ASN 149 17.262 1.843 0.782 1.00 1.00 ATOM 144 CA ASN 150 14.406 0.259 2.774 1.00 1.00 ATOM 145 CA MET 151 12.198 3.381 2.491 1.00 1.00 ATOM 146 CA THR 152 8.568 2.801 1.527 1.00 1.00 ATOM 147 CA GLY 153 6.213 5.509 0.283 1.00 1.00 ATOM 148 CA HIS 154 3.008 4.678 2.223 1.00 1.00 ATOM 149 CA CYS 155 0.691 7.491 1.088 1.00 1.00 ATOM 150 CA ASN 156 0.858 6.155 -2.446 1.00 1.00 ATOM 151 CA ILE 157 -0.895 2.977 -1.274 1.00 1.00 ATOM 152 CA ALA 158 -3.177 4.602 1.329 1.00 1.00 ATOM 153 CA SER 168 -6.595 3.983 -0.188 1.00 1.00 ATOM 154 CA PHE 169 -8.283 3.796 3.228 1.00 1.00 ATOM 155 CA ASP 170 -11.002 6.306 4.207 1.00 1.00 ATOM 156 CA TRP 171 -9.575 9.771 4.825 1.00 1.00 TER END ################################ # # # END # # # ################################