Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNSFYEMGLPLLLAQALDKNSFSVPTPVQAQAIPLALKGKDILGSAQTGTGKTLAFAIPLIAKLLGEPNASTALVIVPTRELAQQVTNEIGKLLLKNSVLKIALLIGGEPIFRQLNQLQRRPRIVIGTPGRIIDHIERKTLITNNVSTLVLDEVDRMFDMGFGIQIEGIMKYLPKMRQNLMFSATLPGDIVKLAEKYSNQPERVSVENEATTSVKIKQEIIYASESEKYGKLVTQLYQRKGSIIVFVRTKQRADQLAYKLRKDNHSALAIHGDLKQRKRKRVINSFRRGHNQIMVATDVASRGLDIPHIQHVINYDAPESQANYIHRTGRTARAGAEGYALSFITSQDKKRLPTLTDKKGELNFDCNVQFKKCSSKKVSRRPSALKIKYGRKKTSTFKKKSTVLEKIY |
3IUY Chain:B ((43-228)) | ------------------------PTPIQSQAWPIILQGIDLIVVAQTGTGKTLSYLMPGFIHLDS--NGPGMLVLTPTRELALHVEAECSKYSYKG--LKSICIYG--------------VDIIIATPGRLNDLQMNNSVNLRSITYLVIDEADKMLDMEFEPQIRKILLDVRPDRQTVMTSATWPDTVRQLALSYLKDPMIVYV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IUY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -143293 for 1368 contacts (-104.7/contact) +
2D Compatibility (PS) -17515 + (NN) -4952 + (LL) 17108
1D Compatibility (HY) -13600 + (ID) 3450
Total energy: -165702.0 ( -121.13 by residue)
QMean score : 0.636
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