Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQPMTARFDLFVVGSGFFGLTIAERVATQLDKRVLVLERRPHIGGNAYSEAEPQTGIEVHKYGAHLFHTSNKRVWDYVRQFTDFTDYRHRVFAMHNGQAYQFPMGLGLVSQFFGKYFTPEQARQLIAEQAAEIDTADAQNLEEKAISLIGRPLYEAFVKGYTAKQWQTDPKELPAANITRLPVRYTFDNRYFSDTYEGLPTDGYTAWLQNMAADHRIEVRLNTDWFDVRGQLRPGSPAAPVVYTGPLDRYFDYAEGRLGWRTLDFEVEVLPIGDFQGTAVMNYNDLDVPYTRIHEFRHFHPERDYPTDKTVIMREYSRFAEDDDEPYYPINTEADRALLATYRARAKSETASSKVLFGGRLGTYQYLDMHMAIASALNMYDNVLAPHLRDGVPLLQDGA |
4MO2 Chain:B ((2-363)) | -------YDYLIVGSGLFGSIFAYE-ATEKGYTCLVVEQREHIGGNCYTEN--IKNINVHKYGAHIFRTSDQNIWDYMNQFCEFNHFINSPIAIYKDEIYNLPFNMNTFSKLWG-IKTPNEARKII-EMQKQIIQHPPKNLEEQAISLVGTDVYEKLIKGYTEKQWGRSCKDLPASIIRRLPVRYIYDNNYFNDPYQGIPKGGYTAIFDKMLKKSK--VILNTDF--LKYKDKFKNKAKKIVFTGCIDAYYDYRYGALEYRSLKFEHKILNLDNFQGVAVVNYTDKEIPYTRIIEHKHFEFGN---TDTTVISEEYPLEWIKGIEPYYPINDEKNQALYEKYKQLAKHE---SNVYFGGRLGEYRYYDMQDVVRSALLFCKNEL--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MO2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155217 for 3001 contacts (-51.7/contact) +
2D Compatibility (PS) -39240 + (NN) -15821 + (LL) 1960
1D Compatibility (HY) -39200 + (ID) 8300
Total energy: -255818.0 ( -85.24 by residue)
QMean score : 0.465
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