Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNSFYEMGLPLLLAQALDKNSFSVPTPVQAQAIPLALKGKDILGSAQTGTGKTLAFAIPLIAKLLGEPNAST-----ALVIVPTRELAQQVTNEIGKLLLKNSVLKIALLIGGEPIFRQLNQLQRRPRIVIGTPGRIIDHIERKTLITNNVSTLVLDEVDRMFDMGFGIQIEGIMKYLPKMRQNLMFSATLPGDIVKLAEKYSNQPERVSVENEATTSVKIKQEIIYASESEKYGKLVTQLYQRKGSIIVFVRTKQRADQLAYKLRKDNHSALAIHGDLKQRKRKRVINSFRRGHNQIMVATDVASRGLDIPHIQHVINYDAPESQANYIHRTGRTARAGAEGYALSFITSQDKKRLPTLTDKKGELNFDCNVQFKKCSSKKVSRRPSALKIKYGRKKTSTFKKKSTVLEKIY |
3NBF Chain:B ((14-205)) | --------------EALHGRGLTTPTPIEAAALPLALEGKDLIGQARTGTGKTLAFALPIAERL--APSQERGRKPRALVLTPTRELALQVASELTAV---APHLKVVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNPVLINVIK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NBF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120350 for 1564 contacts (-77.0/contact) +
2D Compatibility (PS) -20129 + (NN) -8623 + (LL) 15428
1D Compatibility (HY) -12400 + (ID) 4100
Total energy: -150174.0 ( -96.02 by residue)
QMean score : 0.626
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