Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVWLRAGALVAAVMLSLSGCGGFHAGAPSTAGPCEIVPNGTPAPKTPPATVPSSRNLATNPEIATGYRRDMTVVRTAHYAAATANPLATQVACRVLRDGGTAADAVVAAQAVLGLVEPQSSGIGGGGYLVYFDARTGSVQAYDGREVAPAAATENYLRWVSDVDRSAPRPNARASGRSIGVPGILRMLEMVHNEHGRTPWRDLFGPAVTLADGGFDISARMGAAISDAAPQLRDDPEARKYFLNPDGSPKPAGTRLTNPAYSKTLSAIASAGANAFYSGDIAHDIVAAASDTSNGRTPGLLTIEDLAGYLAKRRQPLCTTYRGREICGMPSSGGVAVAATLGILEHFPMSDYAPSKVDLNGGRPTVMGVHLIAEAERLAYADRDQYIADVDFVRLPGGSLTTLVDPGYLAARAALISPQHSMGSARPGDFGAPTAVAPPVPEHGTSHLSVVDSYGNAATLTTTVESSFGSYHLVD--GFILNNQLSDFSAEPHATDGSPVANRVEPGKRPRSSMAPTLVFDHSSAGRGALYAVLGSPGGSMIIQFVVKTLVAMLDWGLNPQQAVSLVDFGAANSPHTNLGGENPEINTS-------DDGDHDPLVQGLRALGHRVNLAEQSSG---LSAITRSEAGWAGGADPRREGAVMGDDA |
3A75 Chain:B ((1-179)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TTHFTVADRWGNVVSYTTTIEQLFGTGIMVPDYGVILNNELTDFDAIPGG------ANEVQPNKRPLSSMTPTILFKDDKP-----VLTVGSPGGATIISSVLQTILYHIEYGMELKAAV-----------------EEPRIYTNSMSSYRYEDGVPKDVLSKLNGMGHKFGTSPVDIGNVQSISIDHENGTFKGVADSSRNGAAIG--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A75.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -15475 for 1086 contacts (-14.2/contact) +
2D Compatibility (PS) -17717 + (NN) -9129 + (LL) 21660
1D Compatibility (HY) -12000 + (ID) 3300
Total energy: -35961.0 ( -33.11 by residue)
QMean score : 0.193
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