Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LSIQIFNTLKREKQPFKPLKDGEVKMYVCGPTVYNYIHIGNARPIIVFDTVRRYFTYRGYDVKFVSNFTDVDDKLIRAANELKLTVPEVADRFIGAYFDDVDQLNVAKASVNPRVTENMDEIIQMISTLIEKGYAYE-SAGDVYFQTKKFKDYGKLSGQELSELQHGARVEYNERKQDELDFTLWKAAKPGEIFWESPFGNGRPGWHIECSALAKKYLGDTIDIHAGGQDLVFPHHEDEIAQSEAATGKTFANYWMHNAFLNIDGEKMSKSLGNFITLHDVLKDNDPNVIRFFMLSVHYRKPITLNDAILEDAKNGLERLMIAYQNIDHRIQTDDGEYVEEAHEDEWLEQLTELKQAFEDDMDDDFNTANAITTFHELAKRANIYLAKETVSINVLREFLSMMRLFAEVLGLKLENTQTD--------SLDDSEVEALIEERLQARNERNFARADEIRDILKEKNIILEDTAQGTRFRRG |
1U0B Chain:B ((1-461)) | -MLKIFNTLTRQKEEFKPIHAGEVGMYVCGITVYDLCHIGHGRTFVAFDVVARYLRFLGYKLKYVRNITDIDDKIIKRANENGESFVAMVDRMIAEMHKDFDALNILRPDMEPRATHHIAEIIELTEQLIAKGHAYVADNGDVMFDVPTDPTYGVLSRQDLDQLQAGARVDVVDDKRNPMDFVLWKMSKEGEPSWPSPWGAGRPGWHIECSAMNCKQLGNHFDIHGGGSDLMFPHHENEIAQSTCAHDGQYVNYWMHSGMVMVDREKMSKSLGNFFTVRDVLKYYDAETVRYFLMSGHYRSQLNYSEENLKQARAALERLYTALRGTDKTVAPAG---------------GEAFEARFIEAMDDDFNTPEAYSVLFDMAREVNRLKAE---DMAAANAMASHLRKLSAVLGLLEQEPEAFLQSGAQADDSEVAEIEALIQQRLDARKAKDWAAADAARDRLNEMGIVLEDGPQGTTWRRK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U0B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186838 for 3714 contacts (-50.3/contact) +
2D Compatibility (PS) -48800 + (NN) -18048 + (LL) 1824
1D Compatibility (HY) -39200 + (ID) 10150
Total energy: -301212.0 ( -81.10 by residue)
QMean score : 0.509
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