Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKSDILCKRVIGIVGSGQLGKMTAIAATKLGQETHIFANAKDDPACSVANNLTIADFSDKKALESFAQSVSLVTIESENIPCDAIDIMSQYVDFYPGKRALHISQNRLREKDFIRNLGIRTADYKSIQDHNDLLEVTRAFGYPTRLKTTEMGYDGKGQYMIGNDSQVERFASFDWNAQYILEASVDLLKEVSIVVTRDKNGKVAFFPVAENHHVDGILDTSIVPAKVDSKLVQEIQQTAEKIADALDVVGILAIEFFITKNSELLVNELAPRPHNSCHWSLDACNVSQFEQLIRVICKLPMQEVVLRFPCMTKNIIGNDVYNTYKYLSDKRA-NLTIYGKKEVRGRRKMGHVNIDLS |
3V4S Chain:A ((24-360)) | ------------------QLGRMMALAAKEMGYKIAVLDPTKNSPCAQVADIEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYLPQGSQLLSKTQNRFTEKNAIEKAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTTGGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVSGETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVGTLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLPLGETNLLKPVVMVNILGEHIEGVLRQVNRLTGCYLHLYGKEEAKAQRKMGHVNILND |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3V4S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -150611 for 2797 contacts (-53.8/contact) +
2D Compatibility (PS) -36716 + (NN) -10055 + (LL) 988
1D Compatibility (HY) -23200 + (ID) 6750
Total energy: -226344.0 ( -80.92 by residue)
QMean score : 0.444
|
|
|