Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPSRSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPE-TSKEVNALECEIQLLKNLLHERIVQYYGCLRDPQEKTLSIFMEYMPGGSIKDQLKA-YGALTEN--VTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDS-TGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISG--EGYGRKADIWSVACTVVEMLTEKPPWAEF-EAMAAIFKIATQPTNPKLPPHVSDYTRDFLKRIFV-EAKLRPSADELLRHMFVHYH |
4BF2 Chain:B ((42-295)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLGKGTYGIVYAGRDLSNQVRIAIKEI------PER---------EEIALHKHLKHKNIVQYLGSFS--ENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLA------------TGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKV- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BF2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -106760 for 1815 contacts (-58.8/contact) +
2D Compatibility (PS) -24337 + (NN) -12551 + (LL) 15996
1D Compatibility (HY) -20400 + (ID) 5150
Total energy: -153202.0 ( -84.41 by residue)
QMean score : 0.491
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