Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------MISSQIGSGIFMLPISLAPYGTYSLISWAVSGLGAILLALVFALLCAKFPETGGPHVYVKHAFGPTAAFFVGWTYWASSWVSSTAVIVASIGYLAPLFHNNIQNIRLFLEIALILAIMLINLRGITTVGH--VELLLMTVKITVLFAVPIAALLLFDRNNFVVSEEISNLTISQAFARSTLLTLWCFIGLEIVTASAGSVENPSKTIPRAIVFGTVFVAIIYFINSLAIMGLINGNHLANSKAPYADVIKIILPGN------WYLIISIVAFIVSVSSLNAWFLADGQVALGLAKDKLMPQFFAKRNKYGAP--FCGIIINTLGILALLVLISSKNFAKQVTSIIDVSVVSFLFVYLTCCLAFLKVIIQEKN--------------YYKFLIGGMAVLFCCWIIYETP----------MNTLLIASLFPLSGTPTYLLWYRKPTK------ |
4DJK Chain:A ((12-501)) | QLTLLGFFAITASMVMAVYEYPTFATSGFSLVFFLLLGGILWFIPVGLCAAEMATVDG--WGVFAWVSNTLGPRWGFAAISFGYLQIAIG----FIPMLYFVLGALSYILKWPALNEDPITKTIAALIILWALALTQFGGTKYTARIAKVGFFAGILLPAFILIALAAIYLHTFFPDFSKVGTLVV-FVAFILSYMGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEI-NLSAGVMQTFTVLMSHVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAKMNKNGVPVTLVISQLVITSIALIILTNTGGGNNMSFLIALALTVVIYLCAYFMLFIGYIVLVLKHPDLKRTFNIPGGKGVKLVVAIVGLLTSIMAFIVSFLPPDNIQGDSTDMYVELLVVSFLVVLALPFILYAVHFFLHPRARSP |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DJK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -460880 for 3518 contacts (-131.0/contact) +
2D Compatibility (PS) -40553 + (NN) -8183 + (LL) 632
1D Compatibility (HY) -27600 + (ID) 2850
Total energy: -539434.0 ( -153.34 by residue)
QMean score : 0.319
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