Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGALLRALLLPLLAQWLLRAVPVLAPAPFTLPLQVAGAANHRASTVPGLGTPELPRADGLALALEPARATANFLAMVDNLQGDSGRGYYLEMLIGTPPQKVRILVDTGSSNFAVAGAPHSYIDTYFDSESSSTYHSKGFEVTVKYTQGSWTGFVGEDLVTIPKGFNSSFLVNIATIFESENFFLPGIKWNGILGLAYAALAKPSSSLETFFDSLVAQAKIPDIFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARTSLIPEFSDGFWTGAQLACWTNSETPWAYFPKISIYLRDENASRSFRITILPQLYIQPMMGAGFNYECYRFGISSSTNALVIGATVMEGFYVVFDRAQRRVGFAVSPCAEIAGTTVSEISGPFSTEDIASNCVPAQALNEPILWIVSYALMSVCGAILLVLILLLLFPLHCRHAPRDPEVVNDESSLVRHRWK |
3ZKI Chain:A ((2-385)) | -----------------------------------------------------------------------NFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAG--------NGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLI--FSDGFWTGSQLACWT----PWSYFPKISIYLRDENSSRSFRITILPQLYIQPMM-----YECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVP----------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -305831 for 3120 contacts (-98.0/contact) +
2D Compatibility (PS) -39090 + (NN) -17589 + (LL) 10900
1D Compatibility (HY) -56000 + (ID) 17050
Total energy: -424660.0 ( -136.11 by residue)
QMean score : 0.381
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