Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKAKRTTKFVCQACGYESAKWMGKCPNCNEWNQMVEALEPSKKSRSAFNHTGEPSKATPITQIASETEKRVETNMPELNRVLGGGVVPGSMVLVGGDPGIGKSTLLLQVSAQLTLTNKKVLYISGEESIKQTKLRAERLQVSGDNLYVYAETNLEAVQETIDFVKPDFVVIDSIQTVYHSDVTSAAGSVSQVRECTATLMRIAKMQNIAIFIVGHVTKEGAIAGPRLLEHMVDTVLYFEGERHHAYRILRAVKNRFGSTNEMGIFEMRDVGLVEVANPSEVFLEERLEGASGSTVVASMEGTRPVLVEIQALVSPTMFGNAKRMATGIDYNK----VSLIMAVLE---KRVGLM--LQ-NQDAYLKAA-GGVKLDEPAVDLAVAVSVASSYRDKPTRSTDCFIGELGLTGEIRRVARIEQRVQEAAKLGFKRIFIPKNNEGNWK-IP----KDVQVVGVETIGEALKKALPD |
3WU4 Chain:A ((12-188)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GQVTGLAWTEVGGDLLTIETACVPG---KGKLTYTGSLGEVMQESIQAALTVVRARAEKLGINPDFYEKRDIHVHVPEGATPKDGPAAGIAMCTALVSCLTGNPVRADVAMTGEITLRGQVLPIGGLKEKLLAAHRGGIKTVLIPFENKRDLEEIPDNVIADLDIHPVKRIEEVLTLALQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WU4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -106025 for 1331 contacts (-79.7/contact) +
2D Compatibility (PS) -17728 + (NN) -11719 + (LL) 21100
1D Compatibility (HY) -6800 + (ID) 1850
Total energy: -123022.0 ( -92.43 by residue)
QMean score : 0.422
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