Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNSFYEMGLPLLLAQALDKNSFSVPTPVQAQAIPLALKGKDILGSAQTGTGKTLAFAIPLIAKLLGE-PNAS-----------------TALVIVPTRELAQQVTNEIGKLLLKNSVLKIALLIGGEPIFRQLNQLQRRPRIVIGTPGRIIDHIERKTLITNNVSTLVLDEVDRMFDMGFGIQIEGIMK---YLPK-MRQNLMFSATLPGDIVKLAEKYSNQPERVSVENEATTSVKIKQEIIYASESEKYGKLVTQLYQ--RKGSIIVFVRTKQRADQLAYKLRKDNHSALAIHGDLKQRKRKRVINSFRRGHNQIMVATDVASRGLDIPHIQHVINYDAPESQANYIHRTGRTARAGAEGYALSFITSQD----KKRLPTLTDKKGELNFDCNVQFKKCSSKKVSRRPSALKIKYGRKKTSTFKKKSTVLEKIY |
2I4I Chain:A ((14-402)) | IESFSDVEMGEIIMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKENGRYGRRKQYPISLVLAPTRELAVQIYEEARKFSYRSRV-RPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVG----TSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGR--NLGLATSFFNERNINITKDLLDLLVEAKQEVPSWLENMAYEHHY--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2I4I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219579 for 2867 contacts (-76.6/contact) +
2D Compatibility (PS) -39035 + (NN) -21315 + (LL) 2040
1D Compatibility (HY) -28800 + (ID) 6800
Total energy: -313489.0 ( -109.34 by residue)
QMean score : 0.614
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