Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNTSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN |
3K31 Chain:B ((27-287)) | ----LMEGKKGVIIGVANDKSLAWGIAKAVCAQGAEVALTYLSETFKKRVDPLAESLGVKLTVPCDVSDAESVDNMFKVLAEEWGSLDFVVHAVAFSDKNELKGRYVDTSLGNFLTSMHISCYSFTYIASKAEPLMTNGGSILTLSYYGAEKVVPHYNVMGVCKAALEASVKYLAVDLGKQQIRVNAISAGPVR-------SDFHYILTWNKYNSPLRRNTTLDDVGGAALYLLSDLGRGTTGETVHVDCGYHVVGMKSVDAPDI----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154178 for 2118 contacts (-72.8/contact) +
2D Compatibility (PS) -27352 + (NN) -8002 + (LL) 900
1D Compatibility (HY) -31600 + (ID) 8200
Total energy: -228432.0 ( -107.85 by residue)
QMean score : 0.521
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