Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKRRVVVTGVGAVTPIGNDAETSWENAKKGVNGVAKMTRLNPDDFPVKIAAELKDFDVEKYLEKKEARKMDRFTHYAIASAEMAVQDSGLVIDDSNANRVGVWIGSGIGGMETFETQYEIFLNRGHRRVSPFFVPMMIPDMGSGQVSIRFGAKGINSTTVTACATATNSIGDAFKVIERGDADAMITGGAEAPITKMSLAGFTANKALSL-NPDPETACRPFDKDRDGFIIGEGAGIVILEEYEHAKARGAKIYAEIVGYGATGDAYHITAPAPNGEGAARAMKMAIDDAGLTPDKVDYINAHGTSTPYNDEYETQAIKTVFGEHAKKLAISSTKSMTGHTLGASGGIEAIFALLTIRDNIIAPTIHLKNQDEVCDLDYVPNEAREANVNVVISNSFGFGGHNATLVFKRIED |
1E5M Chain:A ((6-415)) | --KKRVVVTGLGAITPIGNTLQDYWQGLMEGRNGIGPITRFDASDQACRFGGEVKDFDATQFLDRKEAKRMDRFCHFAVCASQQAINDAKLVINELNADEIGVLIGTGIGGLKVLEDQQTILLDKGPSRCSPFMIPMMIANMASGLTAINLGAKGPNNCTVTACAAGSNAIGDAFRLVQNGYAKAMICGGTEAAITPLSYAGFASARALSFRNDDPLHASRPFDKDRDGFVMGEGSGILILEELESALARGAKIYGEMVGYAMTCDAYHITAPVPDGRGATRAIAWALKDSGLKPEMVSYINAHGTSTPANDVTETRAIKQALGNHAYNIAVSSTKSMTGHLLGGSGGIEAVATVMAIAEDKVPPTINLENPDPECDLDYVPGQSRALIVDVALSNSFGFGGHNVTLAFKKY-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E5M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185073 for 4194 contacts (-44.1/contact) +
2D Compatibility (PS) -44183 + (NN) -21240 + (LL) 160
1D Compatibility (HY) -36400 + (ID) 11450
Total energy: -298186.0 ( -71.10 by residue)
QMean score : 0.529
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