Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKSDILCKRVIGIVGSGQLGKMTAIAATKLGQETHIFANAKDDPACSVANNLTIADFSDKKALESFAQSVSLVTIESENIPCDAIDIMSQYVDFYPGKRALHISQNRLREKDFIRNLGIRTADYKSIQDHNDLLEVTRAFGYPTRLKTTEMGYDGKGQYMIGNDSQVERFASFDWNAQYILEASVDLLKEVSIVVTRDKNGKVAFFPVAENHHVDGILDTSIVPAKVDSKLVQEIQQTAEKIADALDVVGILAIEFFITKNSELLVNELAPRPHNSCHWSLDACNVSQFEQLIRVICKLPMQEVVLRFPCMTKNIIGNDVYNTYKYLSDKRA-NLTIYGKKEVRGRRKMGHVNIDLS |
3Q2O Chain:A ((24-360)) | ------------------QLGRMMALAAKEMGYKIAVLDPTKNSPCAQVADIEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYLPQGSQLLSKTQNRFTEKNAIEKAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTTGGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVSGETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVGTLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLPLGETNLLKPVVMVNILGEHIEGVLRQVNRLTGCYLHLYGKEEAKAQRKMGHVNILND |
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General information:
TITO was launched using:
| RESULT:
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Template: 3Q2O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158331 for 2782 contacts (-56.9/contact) +
2D Compatibility (PS) -36646 + (NN) -11392 + (LL) 988
1D Compatibility (HY) -23200 + (ID) 6750
Total energy: -235331.0 ( -84.59 by residue)
QMean score : 0.456
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