Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKIVVVGTNHAGTAAIKTMLSNYGEANEIVTFDQNSNISFLGCGMALWIGEQIDGPEGLFYSDKEQLESMGAKVYMNSPVLNIDYDKKEVTALVDGKEHVESYEKLILATGSQPIIPPIKGVEIQEGSREFKATLENLQFVKLYQNSEEVIEKLAKPGINRVAVVGAGYIGVELAEAFQRIGKEVTLVDVADTCMGGYYDRDFTDMMSKNLEDHGIRLAFGQAVQAVEGDG-KVERLVTDKETFDVDMVILAVGFRPNTELGAGKLDTFRNGAWVVDKKQETSVKDVYAIGDCATIWDNSRDDINYIALASNAVRTGIVAAHNACGTELEGAGVQGSNGISIYGLNMVSTGLTLEKAKQAGYNAVETGFNDLQKPEFIKHNNHEVAIKIVYDKDSRVILGCQMVSHEDVSMGIHMFSLAIQEKVTIEKLALTDIFFLPHFNKPYNYITMAALGAKD |
3OC4 Chain:A ((3-439)) | -LKIVIIGASFAGISAAIASRKKYP-QAEISLIDKQATVGYLSG----------------RYITEEELRRQKIQLLLNREVVAMDVENQLIAWTRKEEQQWYSYDKLILATGASQFSTQIRGSQT-----------EKLLKYKFLS-----AVPL-LENSQTVAVIGAGPIGMEAIDFLVKMKKTVHVFESLENLLPKYFDKEMVAEVQKSLEKQAVIFHFEETVLGIEETANGI-VLETSEQEISCDSGIFALNLHPQLAYLDKKIQRNLDQTIAVDAYLQTSVPNVFAIGDCISVMNEPVAETFYAPLVNNAVRTGLVVANNLEEKTHRFIGSLRTMGTKVGDYYLASTGLTETEGLFFPQTLASIIVRQ-PAPP-LQHG-TEILGKLIYDKVTQRVLGAQLCSKNNCLEKINTLALSIQTGQTLTDLLQKDYFYQPSLTNIYDITNLMGASAYW |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OC4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -253477 for 3589 contacts (-70.6/contact) +
2D Compatibility (PS) -45336 + (NN) -11625 + (LL) 2568
1D Compatibility (HY) -24400 + (ID) 5500
Total energy: -337770.0 ( -94.11 by residue)
QMean score : 0.547
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