Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEWTIIGWLLKFVKPLRGKMILAILLGIISNLSVIMISLIGTYGIIAVILQQPLNPYKWLFVMVACGVVRGLARYLEQYLNHDIAFRLLAIIRERIFATLRKLGPARLSGKKSGDLVAAITTDVEALEVFFAHTISPVFIALGTTIATVGFLASYDVGLAIILLVGQIMVGVVLPMISYKRNKKIGTAYQQAFVGLNQMVMENIASLQDIFQFKLGEERLRKLETQGEKLNRQYKKRIRQGSELQILGEWVLIGTATIILVLGSLSQLPLETVLIGTVLSLSSFGSVLALNALGTALLTTFASGKRLYALTEEKPVVLFNGQLELSDFESAELDKVSFSHDGKQP-LLNELSLALPKGKWLGIGGESGSGKSTLVKLLMRYWDP-DGQVKLNNNELPKITESSLHRLEGVMEQRTFLFEDTLGNNIRLGKKDATLEEVKEAARKAAIDTWIETLPEGYETIIGGQSRNLSDGERQRIGLARLFLHDAPLLLLDEPTSNLDYINEQAILNTLRSEIQDKTVLVISHRATTLDLAEEQLFIENGALKRAAK |
2PMK Chain:A ((8-222)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PMK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88594 for 1615 contacts (-54.9/contact) +
2D Compatibility (PS) -22369 + (NN) -5927 + (LL) 29888
1D Compatibility (HY) -20400 + (ID) 3800
Total energy: -111202.0 ( -68.86 by residue)
QMean score : 0.490
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