Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEWTIIGWLLKFVKPLRGKMILAILLGIISNLSVIMISLIGTYGIIAVILQQPLNPYKWLFVMVACGVVRGLARYLEQYLNHDIAFRLLAIIRERIFATLRKLGPARLSGKKSGDLVAAITTDVEALEVFFAHTISPVFIALGTTIATVGFLASYDVGLAIILLVGQIMVGVVLPMISYKRNKKIGTAYQQAFVGLNQMVMENIASLQDIFQFKLGEERLRKLETQGEKLNRQYKKRIRQGSELQILGEWVLIGTATIILVLGSLSQLPLETVLIGTVLSLSSFGSVLALNALGTALLTTFASGKRLYALTEEKPVVLFNGQLELSDFESAELDKVSFSHDGKQP-LLNELSLALPKGKWLGIGGESGSGKSTLVKLLMRYWDP-DGQVKLNNNELPKITESSLHRLEGVMEQRTFLFEDTLGNNIRLGKKDATLEEVKEAARKAAIDTWIETLPEGYETIIGGQSRNLSDGERQRIGLARLFLHDAPLLLLDEPTSNLDYINEQAILNTLRSEIQDKTVLVISHRATTLDLAEEQLFIENGALKRAAK |
1XEF Chain:C ((7-220)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAARLSTVKNADRIIVMEKGKIVEQGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XEF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90593 for 1608 contacts (-56.3/contact) +
2D Compatibility (PS) -22603 + (NN) -9091 + (LL) 29952
1D Compatibility (HY) -20400 + (ID) 3750
Total energy: -116485.0 ( -72.44 by residue)
QMean score : 0.497
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