From mailer@bialko.llnl.gov Mon Jun 24 08:44:18 2002 Date: Mon, 24 Jun 2002 08:44:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jun 24 08:17:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_286323_10874 # (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 T0139 AUTHOR 2491-6940-1261 # Reading MODEL 1 S G 0.221 # ERROR! Check the line NB = 33 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0139 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 T0139.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 2 METHOD MODEL 1 T C 0.525 G C 0.338 I C 0.274 S C 0.296 R H 0.372 E H 0.370 T H 0.397 S H 0.520 S H 0.536 D H 0.691 V H 0.717 A H 0.706 L H 0.701 A H 0.746 S H 0.748 H H 0.698 I H 0.644 L H 0.656 T H 0.628 A H 0.600 L H 0.574 R H 0.522 E H 0.407 K C 0.290 Q C 0.357 A C 0.589 P C 0.560 E C 0.350 L C 0.340 S E 0.412 L C 0.430 S C 0.534 S G 0.221 Q H 0.216 D C 0.334 L H 0.439 E H 0.416 L H 0.388 V H 0.342 T C 0.280 K T 0.297 E C 0.258 D C 0.730 P H 0.660 K H 0.709 A H 0.799 L H 0.872 A H 0.796 V H 0.714 A H 0.647 L H 0.550 N H 0.458 W H 0.355 D C 0.308 I H 0.505 K H 0.557 K H 0.577 T H 0.733 E H 0.842 T H 0.868 V H 0.917 Q H 0.944 E H 0.927 A H 0.890 C H 0.854 E H 0.869 R H 0.904 E H 0.904 L H 0.890 A H 0.857 L H 0.824 R H 0.818 L H 0.856 Q H 0.836 Q H 0.834 T H 0.814 Q H 0.728 S H 0.669 L H 0.576 H H 0.431 S T 0.279 L C 0.632 R C 0.998 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jun 24 08:44:29 2002 Date: Mon, 24 Jun 2002 08:44:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jun 24 08:17:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_287624_10875 # (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 T0139 AUTHOR 5144-8387-2760 # Reading MODEL 1 S T 0.330 # ERROR! Check the line NB = 33 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0139 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 T0139.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 2 METHOD MODEL 1 T C 0.559 G C 0.576 I C 0.496 S C 0.520 R H 0.288 E H 0.432 T H 0.528 S H 0.569 S H 0.623 D H 0.718 V H 0.665 A H 0.594 L H 0.582 A H 0.721 S H 0.803 H H 0.864 I H 0.896 L H 0.891 T H 0.881 A H 0.877 L H 0.865 R H 0.769 E H 0.600 K C 0.435 Q C 0.688 A C 0.592 P C 0.653 E C 0.431 L C 0.419 S C 0.394 L C 0.371 S C 0.441 S T 0.330 Q T 0.334 D T 0.285 L G 0.307 E H 0.361 L H 0.371 V H 0.263 T T 0.350 K T 0.392 E T 0.380 D T 0.431 P H 0.398 K H 0.433 A H 0.435 L H 0.470 A E 0.458 V E 0.590 A E 0.568 L E 0.372 N E 0.314 W T 0.282 D H 0.269 I H 0.421 K H 0.425 K H 0.615 T H 0.611 E H 0.636 T H 0.690 V H 0.775 Q H 0.792 E H 0.821 A H 0.856 C H 0.869 E H 0.835 R H 0.859 E H 0.862 L H 0.890 A H 0.876 L H 0.837 R H 0.812 L H 0.860 Q H 0.808 Q H 0.765 T H 0.640 Q H 0.626 S H 0.542 L H 0.554 H H 0.375 S C 0.392 L C 0.655 R C 0.979 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:03:18 2002 Date: Tue, 16 Jul 2002 19:03:12 -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 18:36:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_477390_12195 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139SS389_1 Current information on models submitted in prediction T0139SS389 MODEL_INDEX PIN CODE DATE E-mail T0139SS389_1 PIN_477390_12195 1549-8716-6404 07/16/02 18:36:19 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139SS389_1 PIN_477390_12195 1549-8716-6404 07/16/02 18:36:19 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 T0139 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: 83 # Number of residues with nonzero confidence: 83 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0139 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0139.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0139.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/T0139.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0139 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 T0139.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 3 METHOD METHOD ============================================ METHOD Comments from preds/T0139.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0139 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 T0139.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 3 METHOD METHOD ============================================ MODEL 1 T C 0.80 G C 0.75 I C 0.66 S C 0.68 R C 0.47 E H 0.48 T H 0.55 S H 0.65 S H 0.70 D H 0.86 V H 0.87 A H 0.85 L H 0.85 A H 0.89 S H 0.91 H H 0.92 I H 0.92 L H 0.93 T H 0.91 A H 0.87 L H 0.81 R H 0.67 E C 0.53 K C 0.73 Q C 0.83 A C 0.86 P C 0.86 E C 0.61 L C 0.56 S C 0.51 L C 0.60 S C 0.66 S C 0.47 Q C 0.51 D C 0.53 L H 0.56 E H 0.54 L H 0.58 V C 0.51 T C 0.60 K C 0.64 E C 0.69 D C 0.86 P H 0.66 K H 0.70 A H 0.76 L H 0.74 A H 0.64 V H 0.57 A H 0.53 L H 0.50 N H 0.41 W C 0.47 D C 0.49 I H 0.54 K H 0.54 K H 0.62 T H 0.69 E H 0.76 T H 0.80 V H 0.87 Q H 0.90 E H 0.90 A H 0.87 C H 0.85 E H 0.85 R H 0.88 E H 0.88 L H 0.88 A H 0.86 L H 0.84 R H 0.82 L H 0.86 Q H 0.84 Q H 0.83 T H 0.76 Q H 0.72 S H 0.66 L H 0.63 H H 0.50 S C 0.59 L C 0.78 R C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:46:11 2002 Date: Mon, 22 Jul 2002 09:46:05 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0139 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 Mon Jul 22 09:17:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_292084_13234 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS189_5 Current information on models submitted in prediction T0139TS189 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1JX6_A # Loading PARENT structure: 1jx6 (chain: A) # Number of residues in PARENT structure: 338 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue S 232 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue H 240 # IMPORTANT NOTE! Not complete main chain atoms for residue I 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue T 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue E 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 250 # IMPORTANT NOTE! Not complete main chain atoms for residue P 251 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue S 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue E 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue V 263 # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue K 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue A 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue N 276 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0139 # Total number of residues in target: 83 # Total number of residues in model: 43 # Total number of atoms in model: 43 # Number of atoms with 1.0 occupancy: 43 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 43 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1JX6_A ATOM 314 CA SER 232 -7.470 -23.178 23.776 1.00 1.00 ATOM 315 CA SER 233 -7.918 -19.702 22.306 1.00 1.00 ATOM 316 CA ASP 234 -10.510 -18.619 24.859 1.00 1.00 ATOM 317 CA VAL 235 -8.179 -19.882 27.581 1.00 1.00 ATOM 318 CA ALA 236 -5.174 -18.144 26.004 1.00 1.00 ATOM 319 CA LEU 237 -7.004 -14.813 26.152 1.00 1.00 ATOM 320 CA ALA 238 -7.705 -15.158 29.855 1.00 1.00 ATOM 321 CA SER 239 -4.068 -16.106 30.479 1.00 1.00 ATOM 322 CA HIS 240 -2.823 -13.151 28.429 1.00 1.00 ATOM 323 CA ILE 241 -5.000 -10.780 30.435 1.00 1.00 ATOM 324 CA LEU 242 -3.714 -12.388 33.633 1.00 1.00 ATOM 325 CA THR 243 -0.087 -11.798 32.621 1.00 1.00 ATOM 326 CA ALA 244 -0.935 -8.212 31.687 1.00 1.00 ATOM 327 CA LEU 245 -2.472 -7.638 35.119 1.00 1.00 ATOM 328 CA ARG 246 0.728 -9.080 36.592 1.00 1.00 ATOM 329 CA GLU 247 2.789 -6.721 34.401 1.00 1.00 ATOM 330 CA LYS 248 4.378 -9.649 32.553 1.00 1.00 ATOM 331 CA GLN 249 5.216 -9.588 28.839 1.00 1.00 ATOM 332 CA ALA 250 2.514 -10.986 26.553 1.00 1.00 ATOM 333 CA PRO 251 3.147 -12.510 23.102 1.00 1.00 ATOM 334 CA SER 254 1.832 -10.579 20.124 1.00 1.00 ATOM 335 CA LEU 255 0.402 -13.773 18.657 1.00 1.00 ATOM 336 CA SER 256 -0.984 -17.185 19.608 1.00 1.00 ATOM 337 CA SER 257 -2.372 -19.963 17.415 1.00 1.00 ATOM 338 CA GLN 258 -4.067 -23.072 18.749 1.00 1.00 ATOM 339 CA ASP 259 -3.682 -26.464 17.097 1.00 1.00 ATOM 340 CA LEU 260 -5.755 -28.592 14.724 1.00 1.00 ATOM 341 CA GLU 261 -6.654 -32.222 14.169 1.00 1.00 ATOM 342 CA LEU 262 -7.874 -33.597 10.837 1.00 1.00 ATOM 343 CA VAL 263 -11.215 -35.386 11.175 1.00 1.00 ATOM 344 CA THR 264 -12.928 -37.554 8.567 1.00 1.00 ATOM 345 CA LYS 265 -16.186 -39.467 8.292 1.00 1.00 ATOM 346 CA GLU 266 -14.119 -42.657 8.577 1.00 1.00 ATOM 347 CA ASP 267 -13.014 -41.762 12.096 1.00 1.00 ATOM 348 CA PRO 268 -14.334 -43.925 14.914 1.00 1.00 ATOM 349 CA LYS 269 -16.753 -42.465 17.478 1.00 1.00 ATOM 350 CA ALA 270 -14.030 -42.916 20.090 1.00 1.00 ATOM 351 CA LEU 271 -11.664 -40.707 18.096 1.00 1.00 ATOM 352 CA ALA 272 -14.401 -38.067 17.792 1.00 1.00 ATOM 353 CA VAL 273 -15.316 -38.236 21.465 1.00 1.00 ATOM 354 CA ALA 274 -11.642 -38.020 22.427 1.00 1.00 ATOM 355 CA LEU 275 -11.250 -34.884 20.302 1.00 1.00 ATOM 356 CA ASN 276 -14.369 -33.262 21.780 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:46:42 2002 Date: Mon, 22 Jul 2002 09:46:37 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0139 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 Mon Jul 22 09:18:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_302398_13237 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS189_4 Current information on models submitted in prediction T0139TS189 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1NGR # Loading PARENT structure: 1ngr (chain: ) # Number of residues in PARENT structure: 85 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue S 232 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue H 240 # IMPORTANT NOTE! Not complete main chain atoms for residue I 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue T 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue E 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 250 # IMPORTANT NOTE! Not complete main chain atoms for residue P 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue S 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue E 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue V 263 # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue K 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue A 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue N 276 # IMPORTANT NOTE! Not complete main chain atoms for residue W 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue T 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue C 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue L 297 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 299 # IMPORTANT NOTE! Not complete main chain atoms for residue T 300 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 301 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue H 304 # IMPORTANT NOTE! Not complete main chain atoms for residue S 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue R 307 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0139 # Total number of residues in target: 83 # Total number of residues in model: 82 # Total number of atoms in model: 82 # Number of atoms with 1.0 occupancy: 82 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 82 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1NGR ATOM 335 CA GLY 226 2.133 5.034 -13.416 1.00 1.00 ATOM 336 CA ILE 227 3.335 2.467 -10.831 1.00 1.00 ATOM 337 CA SER 228 3.490 2.985 -7.072 1.00 1.00 ATOM 338 CA ARG 229 7.203 2.157 -6.876 1.00 1.00 ATOM 341 CA GLU 230 11.824 5.802 -6.031 1.00 1.00 ATOM 342 CA THR 231 12.199 8.226 -3.072 1.00 1.00 ATOM 343 CA SER 232 11.238 8.947 0.602 1.00 1.00 ATOM 344 CA SER 233 7.724 10.094 -0.430 1.00 1.00 ATOM 345 CA ASP 234 7.083 6.266 -0.137 1.00 1.00 ATOM 346 CA VAL 235 8.380 6.495 3.482 1.00 1.00 ATOM 347 CA ALA 236 5.885 9.332 3.818 1.00 1.00 ATOM 348 CA LEU 237 3.350 6.589 2.797 1.00 1.00 ATOM 349 CA ALA 238 4.441 4.604 5.934 1.00 1.00 ATOM 350 CA SER 239 3.073 7.730 7.693 1.00 1.00 ATOM 351 CA HIS 240 -0.175 7.580 5.609 1.00 1.00 ATOM 352 CA ILE 241 -0.948 3.832 5.032 1.00 1.00 ATOM 353 CA LEU 242 -0.819 3.567 8.844 1.00 1.00 ATOM 354 CA THR 243 -0.417 0.421 11.005 1.00 1.00 ATOM 355 CA ALA 244 -4.048 -0.768 10.672 1.00 1.00 ATOM 356 CA LEU 245 -5.608 0.373 7.445 1.00 1.00 ATOM 357 CA ARG 246 -2.669 -0.862 5.375 1.00 1.00 ATOM 358 CA GLU 247 -3.872 -4.479 6.353 1.00 1.00 ATOM 359 CA LYS 248 -7.393 -3.705 5.091 1.00 1.00 ATOM 360 CA GLN 249 -5.920 -2.292 1.868 1.00 1.00 ATOM 361 CA ALA 250 -3.419 -5.224 1.521 1.00 1.00 ATOM 362 CA PRO 251 -6.284 -7.747 1.244 1.00 1.00 ATOM 363 CA GLU 252 -8.234 -5.461 -1.120 1.00 1.00 ATOM 364 CA LEU 253 -5.000 -5.369 -3.262 1.00 1.00 ATOM 365 CA SER 254 -5.339 -9.117 -4.053 1.00 1.00 ATOM 366 CA LEU 255 -2.804 -10.394 -1.530 1.00 1.00 ATOM 367 CA SER 256 -4.016 -13.445 0.423 1.00 1.00 ATOM 368 CA SER 257 -4.205 -13.055 4.254 1.00 1.00 ATOM 369 CA GLN 258 -1.004 -15.133 4.691 1.00 1.00 ATOM 370 CA ASP 259 0.870 -12.444 2.686 1.00 1.00 ATOM 371 CA LEU 260 -0.805 -9.680 4.755 1.00 1.00 ATOM 372 CA GLU 261 0.561 -11.478 7.839 1.00 1.00 ATOM 373 CA LEU 262 4.039 -11.989 6.295 1.00 1.00 ATOM 374 CA VAL 263 4.089 -8.278 5.402 1.00 1.00 ATOM 375 CA THR 264 3.739 -7.240 9.066 1.00 1.00 ATOM 376 CA LYS 265 6.579 -9.765 9.835 1.00 1.00 ATOM 377 CA GLU 266 8.822 -8.449 7.012 1.00 1.00 ATOM 378 CA ASP 267 11.040 -5.407 7.716 1.00 1.00 ATOM 379 CA PRO 268 8.060 -3.048 7.688 1.00 1.00 ATOM 380 CA LYS 269 4.667 -3.663 5.905 1.00 1.00 ATOM 381 CA ALA 270 4.471 -0.446 3.811 1.00 1.00 ATOM 382 CA LEU 271 8.228 -0.871 2.930 1.00 1.00 ATOM 383 CA ALA 272 8.101 -4.477 1.643 1.00 1.00 ATOM 384 CA VAL 273 4.483 -3.824 0.489 1.00 1.00 ATOM 385 CA ALA 274 5.332 -0.980 -1.896 1.00 1.00 ATOM 386 CA LEU 275 8.376 -2.946 -3.125 1.00 1.00 ATOM 387 CA ASN 276 6.408 -6.205 -3.663 1.00 1.00 ATOM 388 CA TRP 277 2.958 -4.901 -4.649 1.00 1.00 ATOM 389 CA ASP 278 4.947 -2.375 -6.757 1.00 1.00 ATOM 390 CA ILE 279 6.381 -5.339 -8.748 1.00 1.00 ATOM 391 CA LYS 280 2.895 -6.602 -9.831 1.00 1.00 ATOM 392 CA LYS 281 1.306 -5.919 -13.261 1.00 1.00 ATOM 393 CA THR 282 -1.036 -2.948 -12.765 1.00 1.00 ATOM 394 CA GLU 283 0.212 -1.868 -9.310 1.00 1.00 ATOM 395 CA THR 284 -0.370 1.773 -10.277 1.00 1.00 ATOM 396 CA VAL 285 -0.857 4.740 -7.901 1.00 1.00 ATOM 397 CA GLN 286 -4.484 4.841 -9.186 1.00 1.00 ATOM 398 CA GLU 287 -4.910 1.091 -8.356 1.00 1.00 ATOM 399 CA ALA 288 -3.886 1.553 -4.700 1.00 1.00 ATOM 400 CA CYS 289 -5.911 4.780 -4.557 1.00 1.00 ATOM 401 CA GLU 290 -8.972 2.854 -5.848 1.00 1.00 ATOM 402 CA ARG 291 -8.639 0.088 -3.218 1.00 1.00 ATOM 403 CA GLU 292 -8.253 2.829 -0.559 1.00 1.00 ATOM 404 CA LEU 293 -11.281 4.783 -1.789 1.00 1.00 ATOM 405 CA ALA 294 -13.148 1.397 -1.751 1.00 1.00 ATOM 406 CA LEU 295 -12.402 1.116 2.041 1.00 1.00 ATOM 407 CA ARG 296 -13.396 4.858 2.127 1.00 1.00 ATOM 408 CA LEU 297 -9.852 5.667 3.446 1.00 1.00 ATOM 409 CA GLN 298 -9.935 8.649 1.072 1.00 1.00 ATOM 410 CA GLN 299 -7.920 10.621 3.687 1.00 1.00 ATOM 411 CA THR 300 -4.858 8.602 2.598 1.00 1.00 ATOM 412 CA GLN 301 -5.853 8.911 -1.079 1.00 1.00 ATOM 413 CA SER 302 -6.049 12.746 -1.148 1.00 1.00 ATOM 414 CA LEU 303 -2.618 12.868 0.544 1.00 1.00 ATOM 415 CA HIS 304 -1.441 10.314 -2.058 1.00 1.00 ATOM 416 CA SER 305 -2.741 12.733 -4.725 1.00 1.00 ATOM 417 CA LEU 306 0.106 15.032 -3.575 1.00 1.00 ATOM 418 CA ARG 307 0.567 16.378 -0.007 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:49:30 2002 Date: Mon, 22 Jul 2002 09:49:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0139 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 Mon Jul 22 09:20:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_325077_13248 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS189_1 Current information on models submitted in prediction T0139TS189 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_1 PIN_325077_13248 5035-2079-5263 07/22/02 09:20:59 casp5@bialko.llnl.gov T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_1 PIN_325077_13248 5035-2079-5263 07/22/02 09:20:59 casp5@bialko.llnl.gov T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1GDO_A # Loading PARENT structure: 1gdo (chain: A) # Number of residues in PARENT structure: 238 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue T 225 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue G 226 # IMPORTANT NOTE! Not complete main chain atoms for residue I 227 # IMPORTANT NOTE! Not complete main chain atoms for residue S 228 # IMPORTANT NOTE! Not complete main chain atoms for residue R 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue S 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue V 235 # IMPORTANT NOTE! Not complete main chain atoms for residue A 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue H 240 # IMPORTANT NOTE! Not complete main chain atoms for residue I 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue T 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue E 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 250 # IMPORTANT NOTE! Not complete main chain atoms for residue P 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue S 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue E 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue V 263 # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue K 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue A 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue N 276 # IMPORTANT NOTE! Not complete main chain atoms for residue W 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue T 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue C 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 299 # IMPORTANT NOTE! Not complete main chain atoms for residue T 300 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 301 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue H 304 # IMPORTANT NOTE! Not complete main chain atoms for residue S 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0139 # Total number of residues in target: 83 # Total number of residues in model: 80 # Total number of atoms in model: 80 # Number of atoms with 1.0 occupancy: 80 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 80 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1GDO_A ATOM 1 CA THR 225 9.962 -7.637 43.394 1.00 1.00 ATOM 2 CA GLY 226 9.193 -6.404 39.874 1.00 1.00 ATOM 3 CA ILE 227 6.705 -3.603 39.127 1.00 1.00 ATOM 4 CA SER 228 5.508 -2.491 35.676 1.00 1.00 ATOM 5 CA ARG 229 2.737 0.039 35.033 1.00 1.00 ATOM 6 CA GLU 230 1.364 1.796 31.959 1.00 1.00 ATOM 7 CA THR 231 -1.131 4.524 31.155 1.00 1.00 ATOM 8 CA SER 233 -1.935 4.645 27.474 1.00 1.00 ATOM 9 CA ASP 234 -4.561 4.854 24.829 1.00 1.00 ATOM 10 CA VAL 235 -3.990 1.263 23.641 1.00 1.00 ATOM 11 CA ALA 236 -4.566 -1.885 25.687 1.00 1.00 ATOM 12 CA LEU 237 -1.552 -2.369 27.964 1.00 1.00 ATOM 13 CA ALA 238 -2.005 -5.957 29.188 1.00 1.00 ATOM 14 CA SER 239 0.444 -7.273 26.629 1.00 1.00 ATOM 15 CA HIS 240 3.060 -4.628 27.506 1.00 1.00 ATOM 16 CA ILE 241 2.609 -5.384 31.232 1.00 1.00 ATOM 17 CA LEU 242 3.103 -9.132 30.698 1.00 1.00 ATOM 18 CA THR 243 6.174 -8.537 28.533 1.00 1.00 ATOM 19 CA ALA 244 7.555 -6.266 31.221 1.00 1.00 ATOM 20 CA LEU 245 7.028 -9.012 33.844 1.00 1.00 ATOM 21 CA ARG 246 8.851 -11.494 31.570 1.00 1.00 ATOM 103 CA GLU 247 5.109 -0.430 60.502 1.00 1.00 ATOM 104 CA LYS 248 2.352 -2.547 58.959 1.00 1.00 ATOM 105 CA GLN 249 1.090 -3.948 62.288 1.00 1.00 ATOM 106 CA ALA 250 0.155 -0.618 63.888 1.00 1.00 ATOM 107 CA PRO 251 -1.376 0.575 60.596 1.00 1.00 ATOM 108 CA GLU 252 -3.216 -2.674 60.089 1.00 1.00 ATOM 109 CA LEU 253 -4.684 -2.395 63.597 1.00 1.00 ATOM 110 CA SER 254 -5.434 1.266 63.062 1.00 1.00 ATOM 111 CA LEU 255 -7.146 0.496 59.780 1.00 1.00 ATOM 112 CA SER 256 -8.960 -2.522 61.166 1.00 1.00 ATOM 113 CA SER 257 -10.201 -0.225 63.992 1.00 1.00 ATOM 114 CA GLN 258 -11.278 2.087 61.174 1.00 1.00 ATOM 115 CA ASP 259 -13.446 -0.607 59.564 1.00 1.00 ATOM 116 CA LEU 260 -11.192 -2.233 56.993 1.00 1.00 ATOM 117 CA GLU 261 -11.188 -5.936 56.420 1.00 1.00 ATOM 118 CA LEU 262 -7.782 -7.377 55.570 1.00 1.00 ATOM 119 CA VAL 263 -8.092 -10.383 53.230 1.00 1.00 ATOM 120 CA THR 264 -4.368 -10.987 52.941 1.00 1.00 ATOM 121 CA LYS 265 -1.437 -11.372 55.333 1.00 1.00 ATOM 122 CA GLU 266 0.714 -8.862 53.456 1.00 1.00 ATOM 123 CA ASP 267 2.226 -5.565 54.612 1.00 1.00 ATOM 124 CA PRO 268 1.191 -4.309 51.145 1.00 1.00 ATOM 125 CA LYS 269 -2.546 -4.455 51.840 1.00 1.00 ATOM 126 CA ALA 270 -2.078 -1.686 54.420 1.00 1.00 ATOM 127 CA LEU 271 -1.086 0.704 51.586 1.00 1.00 ATOM 128 CA ALA 272 -4.299 0.019 49.694 1.00 1.00 ATOM 129 CA VAL 273 -6.558 0.539 52.723 1.00 1.00 ATOM 130 CA ALA 274 -4.599 3.631 53.926 1.00 1.00 ATOM 131 CA LEU 275 -4.890 5.382 50.541 1.00 1.00 ATOM 132 CA ASN 276 -8.574 4.406 50.371 1.00 1.00 ATOM 133 CA TRP 277 -9.043 5.965 53.848 1.00 1.00 ATOM 134 CA ASP 278 -7.089 9.135 53.021 1.00 1.00 ATOM 135 CA ILE 279 -9.166 9.527 49.862 1.00 1.00 ATOM 136 CA LYS 280 -12.424 9.321 51.803 1.00 1.00 ATOM 137 CA LYS 281 -11.113 12.363 53.693 1.00 1.00 ATOM 138 CA THR 282 -11.376 14.170 50.331 1.00 1.00 ATOM 139 CA GLU 283 -9.137 15.481 47.571 1.00 1.00 ATOM 140 CA THR 284 -7.420 13.971 44.566 1.00 1.00 ATOM 141 CA VAL 285 -5.528 10.682 44.392 1.00 1.00 ATOM 142 CA GLN 286 -2.275 12.675 44.409 1.00 1.00 ATOM 143 CA GLU 287 -3.432 14.493 47.553 1.00 1.00 ATOM 144 CA ALA 288 -4.403 11.264 49.368 1.00 1.00 ATOM 145 CA CYS 289 -1.062 9.740 48.402 1.00 1.00 ATOM 146 CA GLU 290 0.865 12.711 49.701 1.00 1.00 ATOM 147 CA ARG 291 -0.967 12.192 53.006 1.00 1.00 ATOM 148 CA GLU 292 -0.465 8.397 53.114 1.00 1.00 ATOM 149 CA LEU 293 3.279 8.109 52.301 1.00 1.00 ATOM 195 CA ALA 294 10.997 -3.999 31.568 1.00 1.00 ATOM 196 CA LEU 295 10.350 -0.970 29.378 1.00 1.00 ATOM 197 CA ARG 296 12.871 -1.247 26.559 1.00 1.00 ATOM 229 CA GLN 298 10.450 19.055 41.538 1.00 1.00 ATOM 230 CA GLN 299 11.964 18.779 38.057 1.00 1.00 ATOM 231 CA THR 300 13.653 15.547 37.028 1.00 1.00 ATOM 232 CA GLN 301 15.734 15.131 33.886 1.00 1.00 ATOM 233 CA SER 302 14.736 12.564 31.259 1.00 1.00 ATOM 234 CA LEU 303 17.562 10.378 29.915 1.00 1.00 ATOM 235 CA HIS 304 17.813 8.302 26.717 1.00 1.00 ATOM 236 CA SER 305 19.210 4.843 27.500 1.00 1.00 ATOM 237 CA LEU 306 19.772 1.992 25.056 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:50:22 2002 Date: Mon, 22 Jul 2002 09:50:16 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0139 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 Mon Jul 22 09:22:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_335764_13253 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS189_2 Current information on models submitted in prediction T0139TS189 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_2 PIN_335764_13253 5035-2079-5263 07/22/02 09:22:02 casp5@bialko.llnl.gov T0139TS189_1 PIN_325077_13248 5035-2079-5263 07/22/02 09:20:59 casp5@bialko.llnl.gov T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_1 PIN_325077_13248 5035-2079-5263 07/22/02 09:20:59 casp5@bialko.llnl.gov T0139TS189_2 PIN_335764_13253 5035-2079-5263 07/22/02 09:22:02 casp5@bialko.llnl.gov T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1IUA_A # Loading PARENT structure: 1iua (chain: A) # Number of residues in PARENT structure: 83 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 263 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue K 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue A 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue N 276 # IMPORTANT NOTE! Not complete main chain atoms for residue W 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue T 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0139 # Total number of residues in target: 83 # Total number of residues in model: 26 # Total number of atoms in model: 26 # Number of atoms with 1.0 occupancy: 26 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 26 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1IUA_A ATOM 7 CA VAL 263 -5.799 3.953 11.261 1.00 1.00 ATOM 8 CA THR 264 -9.355 5.079 10.515 1.00 1.00 ATOM 9 CA LYS 265 -10.144 8.347 8.726 1.00 1.00 ATOM 10 CA GLU 266 -12.121 9.780 11.619 1.00 1.00 ATOM 11 CA ASP 267 -9.432 9.170 14.260 1.00 1.00 ATOM 12 CA PRO 268 -8.775 12.635 15.712 1.00 1.00 ATOM 13 CA LYS 269 -5.147 12.500 14.656 1.00 1.00 ATOM 14 CA ALA 270 -6.078 11.257 11.159 1.00 1.00 ATOM 15 CA LEU 271 -8.396 14.268 10.823 1.00 1.00 ATOM 16 CA ALA 272 -5.832 16.723 12.094 1.00 1.00 ATOM 17 CA VAL 273 -3.066 15.300 9.886 1.00 1.00 ATOM 18 CA ALA 274 -5.314 14.614 6.887 1.00 1.00 ATOM 19 CA LEU 275 -4.235 10.981 6.752 1.00 1.00 ATOM 20 CA ASN 276 -5.516 8.840 3.907 1.00 1.00 ATOM 21 CA TRP 277 -4.614 5.202 3.315 1.00 1.00 ATOM 22 CA ASP 278 -4.416 6.049 -0.407 1.00 1.00 ATOM 23 CA ILE 279 -2.103 8.967 -1.197 1.00 1.00 ATOM 24 CA LYS 280 -3.871 9.538 -4.515 1.00 1.00 ATOM 25 CA LYS 281 -6.927 10.522 -2.432 1.00 1.00 ATOM 26 CA THR 282 -4.945 12.845 -0.134 1.00 1.00 ATOM 27 CA GLU 283 -4.149 16.549 0.323 1.00 1.00 ATOM 28 CA THR 284 -0.473 16.068 -0.526 1.00 1.00 ATOM 29 CA VAL 285 -0.540 18.607 -3.365 1.00 1.00 ATOM 30 CA GLN 286 -2.231 21.205 -1.180 1.00 1.00 ATOM 31 CA GLU 287 0.218 20.794 1.696 1.00 1.00 ATOM 32 CA ALA 288 3.332 21.055 -0.510 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:50:32 2002 Date: Mon, 22 Jul 2002 09:50:27 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0139 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 Mon Jul 22 09:22:14 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_339980_13254 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS189_3 Current information on models submitted in prediction T0139TS189 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_3 PIN_339980_13254 5035-2079-5263 07/22/02 09:22:14 casp5@bialko.llnl.gov T0139TS189_2 PIN_335764_13253 5035-2079-5263 07/22/02 09:22:02 casp5@bialko.llnl.gov T0139TS189_1 PIN_325077_13248 5035-2079-5263 07/22/02 09:20:59 casp5@bialko.llnl.gov T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS189_1 PIN_325077_13248 5035-2079-5263 07/22/02 09:20:59 casp5@bialko.llnl.gov T0139TS189_2 PIN_335764_13253 5035-2079-5263 07/22/02 09:22:02 casp5@bialko.llnl.gov T0139TS189_3 PIN_339980_13254 5035-2079-5263 07/22/02 09:22:14 casp5@bialko.llnl.gov T0139TS189_4 PIN_302398_13237 5035-2079-5263 07/22/02 09:18:31 casp5@bialko.llnl.gov T0139TS189_5 PIN_292084_13234 5035-2079-5263 07/22/02 09:17:54 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 T0139 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1BL8_A # Loading PARENT structure: 1bl8 (chain: A) # Number of residues in PARENT structure: 97 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue H 240 # IMPORTANT NOTE! Not complete main chain atoms for residue I 241 # IMPORTANT NOTE! Not complete main chain atoms for residue L 242 # IMPORTANT NOTE! Not complete main chain atoms for residue T 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue R 246 # IMPORTANT NOTE! Not complete main chain atoms for residue E 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 249 # IMPORTANT NOTE! Not complete main chain atoms for residue A 250 # IMPORTANT NOTE! Not complete main chain atoms for residue P 251 # IMPORTANT NOTE! Not complete main chain atoms for residue E 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue S 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue S 256 # IMPORTANT NOTE! Not complete main chain atoms for residue S 257 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 258 # IMPORTANT NOTE! Not complete main chain atoms for residue D 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue E 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue V 263 # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue K 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue D 267 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue K 269 # IMPORTANT NOTE! Not complete main chain atoms for residue A 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue A 272 # IMPORTANT NOTE! Not complete main chain atoms for residue V 273 # IMPORTANT NOTE! Not complete main chain atoms for residue A 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue N 276 # IMPORTANT NOTE! Not complete main chain atoms for residue W 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue K 280 # IMPORTANT NOTE! Not complete main chain atoms for residue K 281 # IMPORTANT NOTE! Not complete main chain atoms for residue T 282 # IMPORTANT NOTE! Not complete main chain atoms for residue E 283 # IMPORTANT NOTE! Not complete main chain atoms for residue T 284 # IMPORTANT NOTE! Not complete main chain atoms for residue V 285 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 286 # IMPORTANT NOTE! Not complete main chain atoms for residue E 287 # IMPORTANT NOTE! Not complete main chain atoms for residue A 288 # IMPORTANT NOTE! Not complete main chain atoms for residue C 289 # IMPORTANT NOTE! Not complete main chain atoms for residue E 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue E 292 # IMPORTANT NOTE! Not complete main chain atoms for residue L 293 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue R 296 # IMPORTANT NOTE! Not complete main chain atoms for residue L 297 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 298 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 299 # IMPORTANT NOTE! Not complete main chain atoms for residue T 300 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 301 # IMPORTANT NOTE! Not complete main chain atoms for residue S 302 # IMPORTANT NOTE! Not complete main chain atoms for residue L 303 # IMPORTANT NOTE! Not complete main chain atoms for residue H 304 # IMPORTANT NOTE! Not complete main chain atoms for residue S 305 # IMPORTANT NOTE! Not complete main chain atoms for residue L 306 # IMPORTANT NOTE! Not complete main chain atoms for residue R 307 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0139 # Total number of residues in target: 83 # Total number of residues in model: 71 # Total number of atoms in model: 71 # Number of atoms with 1.0 occupancy: 71 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 71 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1BL8_A ATOM 24 CA LEU 237 66.669 25.296 45.483 1.00 1.00 ATOM 25 CA ALA 238 69.416 24.678 42.939 1.00 1.00 ATOM 26 CA SER 239 67.702 21.311 42.475 1.00 1.00 ATOM 27 CA HIS 240 64.132 22.554 42.871 1.00 1.00 ATOM 28 CA ILE 241 64.281 25.970 41.216 1.00 1.00 ATOM 29 CA LEU 242 64.970 23.993 38.048 1.00 1.00 ATOM 30 CA THR 243 62.600 21.040 38.117 1.00 1.00 ATOM 31 CA ALA 244 59.942 23.718 38.569 1.00 1.00 ATOM 32 CA LEU 245 61.075 26.359 36.091 1.00 1.00 ATOM 33 CA ARG 246 60.608 23.937 33.238 1.00 1.00 ATOM 34 CA GLU 247 56.929 23.822 34.199 1.00 1.00 ATOM 35 CA LYS 248 57.249 27.510 33.307 1.00 1.00 ATOM 36 CA GLN 249 58.828 27.094 29.870 1.00 1.00 ATOM 37 CA ALA 250 56.153 24.587 28.892 1.00 1.00 ATOM 38 CA PRO 251 53.609 27.275 29.638 1.00 1.00 ATOM 39 CA GLU 252 55.606 29.674 27.440 1.00 1.00 ATOM 40 CA LEU 253 55.468 27.129 24.657 1.00 1.00 ATOM 41 CA SER 254 51.710 26.576 24.723 1.00 1.00 ATOM 42 CA LEU 255 51.482 30.301 25.459 1.00 1.00 ATOM 43 CA SER 256 53.515 31.448 22.474 1.00 1.00 ATOM 44 CA SER 257 52.002 28.729 20.311 1.00 1.00 ATOM 45 CA GLN 258 48.409 29.866 20.620 1.00 1.00 ATOM 46 CA ASP 259 49.491 33.502 20.349 1.00 1.00 ATOM 47 CA LEU 260 51.910 33.608 17.440 1.00 1.00 ATOM 48 CA GLU 261 49.220 31.948 15.348 1.00 1.00 ATOM 49 CA LEU 262 46.615 34.610 16.094 1.00 1.00 ATOM 50 CA VAL 263 49.381 37.016 15.072 1.00 1.00 ATOM 51 CA THR 264 50.179 35.367 11.742 1.00 1.00 ATOM 52 CA LYS 265 46.941 33.492 10.922 1.00 1.00 ATOM 53 CA GLU 266 45.863 36.311 8.617 1.00 1.00 ATOM 54 CA ASP 267 48.844 37.485 6.575 1.00 1.00 ATOM 55 CA PRO 268 51.580 36.708 3.954 1.00 1.00 ATOM 56 CA LYS 269 53.225 34.536 6.603 1.00 1.00 ATOM 57 CA ALA 270 54.101 30.858 6.766 1.00 1.00 ATOM 58 CA LEU 271 52.094 28.068 8.394 1.00 1.00 ATOM 59 CA ALA 272 52.279 29.896 11.736 1.00 1.00 ATOM 64 CA VAL 273 51.748 24.093 13.931 1.00 1.00 ATOM 65 CA ALA 274 52.879 26.934 16.165 1.00 1.00 ATOM 66 CA LEU 275 53.583 24.284 18.827 1.00 1.00 ATOM 67 CA ASN 276 56.270 22.419 16.905 1.00 1.00 ATOM 68 CA TRP 277 57.575 25.925 16.200 1.00 1.00 ATOM 69 CA ASP 278 57.659 26.973 19.834 1.00 1.00 ATOM 70 CA ILE 279 59.635 23.810 20.538 1.00 1.00 ATOM 71 CA LYS 280 62.193 24.206 17.722 1.00 1.00 ATOM 72 CA LYS 281 62.507 27.887 18.602 1.00 1.00 ATOM 73 CA THR 282 62.741 27.231 22.348 1.00 1.00 ATOM 74 CA GLU 283 65.370 24.561 21.805 1.00 1.00 ATOM 75 CA THR 284 66.803 27.119 19.388 1.00 1.00 ATOM 76 CA VAL 285 67.467 24.753 16.535 1.00 1.00 ATOM 85 CA GLN 286 54.349 39.336 11.731 1.00 1.00 ATOM 86 CA GLU 287 56.134 42.037 13.726 1.00 1.00 ATOM 87 CA ALA 288 54.323 40.698 16.786 1.00 1.00 ATOM 88 CA CYS 289 54.765 37.079 15.792 1.00 1.00 ATOM 89 CA GLU 290 58.475 37.923 15.844 1.00 1.00 ATOM 90 CA ARG 291 58.160 39.202 19.391 1.00 1.00 ATOM 91 CA GLU 292 56.504 36.006 20.565 1.00 1.00 ATOM 92 CA LEU 293 59.496 34.315 18.937 1.00 1.00 ATOM 93 CA ALA 294 62.045 36.273 20.976 1.00 1.00 ATOM 94 CA LEU 295 60.175 35.441 24.161 1.00 1.00 ATOM 95 CA ARG 296 59.767 31.741 23.435 1.00 1.00 ATOM 96 CA LEU 297 63.480 31.900 22.684 1.00 1.00 ATOM 97 CA GLN 298 64.966 33.235 25.921 1.00 1.00 ATOM 98 CA GLN 299 62.486 31.051 27.782 1.00 1.00 ATOM 99 CA THR 300 64.513 28.195 26.369 1.00 1.00 ATOM 100 CA GLN 301 68.038 29.624 26.594 1.00 1.00 ATOM 101 CA SER 302 67.063 30.428 30.154 1.00 1.00 ATOM 102 CA LEU 303 64.803 27.599 31.316 1.00 1.00 ATOM 103 CA HIS 304 67.606 25.304 30.170 1.00 1.00 ATOM 104 CA SER 305 70.379 27.374 31.697 1.00 1.00 ATOM 105 CA LEU 306 69.047 26.781 35.187 1.00 1.00 ATOM 106 CA ARG 307 69.102 23.024 34.623 1.00 1.00 TER END ################################ # # # END # # # ################################