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 |
4PXA Chain:A ((64-452)) | IESFSDVEMGEIIMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKENGRYGRRKQYPISLVLAPTRELAVQIYEEARKFSYRSRV-RPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLVMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVGRVGSTSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFNERNINITKDLLDLLVEAKQEVPSWLENMAY------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PXA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -195414 for 3032 contacts (-64.5/contact) +
2D Compatibility (PS) -39637 + (NN) -22666 + (LL) 2160
1D Compatibility (HY) -28800 + (ID) 6800
Total energy: -291157.0 ( -96.03 by residue)
QMean score : 0.534
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