Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKILPVPMLAAGLALLPSFAQAEFFADGKAGLELRNFYFNRDYRQPGASQSYSEEWAQGFLLRYESGYTEGLFGLGVDALGLLGVRLDSSPERSGSGLLPYSTSDRRAAHDYSSLGLTAKLRVSHSTLKIGTLMPRLPVVQFNDTRLHPQTFQGGLLEVNEIDGLALQFGQLRQVKQRDSTNAEDLGITRGNKRNVLAGRHPGSDRFDFAGGTYRWS-ERLSSSYHYANLEDFYRQHHLGVQHLLPLADDQSLKSDIRWARSTDEGGSR---VNNRALNALFTYRLGGHAFGLGYQRMSGDSGFAYLAGTDP-YLVNFVQIGDFANKDERSWQLRYDYDFAAIGLPGLTFMSRYLRGEHIDLLDGGGRGKEWERDTDIAYLVQSGPLKNLGIKLRNGTFRSDFGNDIDETRLIVSYALPLW |
3SYS Chain:A ((4-388)) | ----------------------GFLEDAKTDLVLRNYYFNRDF--------LVDEWAQGFILKFSSGYTPGTVGVGLDAIGLFGVKLNS-----NSELLPLH-DDGRAADNYGRVGVAAKLRVSASELKIGEMLPDIPLLRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSADMQDL--------SAWSAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYANLLHKQRVG-DWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTFYLGLQKVGGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFVGLGWPGLIGMVRYGHGSNATTKAGSG-GKEWERDVELGYTVQSGPLARLNVRLNHASNRRSFNSDFDQTRLVVSYPLSW- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SYS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -27318 for 2936 contacts (-9.3/contact) +
2D Compatibility (PS) -37352 + (NN) -1600 + (LL) 2264
1D Compatibility (HY) -31200 + (ID) 8200
Total energy: -103406.0 ( -35.22 by residue)
QMean score : 0.193
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