Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSSIVLKLLKVTHYYRNKQNKKWYLPFGYDAEDIDLNNISLHIYQGEALGIIGEPESSKALVGQLLAGAIKPDKGKVVCTEDLFYGY-IEDQSLIHQTVEAYTAQLVQLFPY--------------EINDHK----AEQIIQYAHLGDYKTKPVNHISKAAYAQLLLSIARSSKSN--IIILNHVIDYLTPQFMERAIE-LTNDYIENNLTIVSIGDDIDKISQVSNYIAWFSHGQLRMEGSLKQVIPSFKEHERDRLSLNSKEEIENFDLDWKKNRTRIPEMTYNFKRVERYNHAKPPKFLVRFWTLASGTILGLALMMLLIFNNIGIISITDFTNRATMQNENKDPYGEKLAYGIAFNGSVDMQGDKQVTIPKYSVVTITGENSKNYRVTADNKTYYVSKDKLEYFNPAGLYQTHSFKKLAPYMKSNYSNYYAYFNSQLHKKHSSVIKTLVPDDDNRFVASVTQQPIQLLFNDNNQLYGFVYPIVDKKELKDKFNINNNIWITKVGNGYCIANLKEDKWIYIEL |
3D31 Chain:A ((8-215)) | --------------------SRKW--------KNFSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRI-----LLDGKDVTDLSPEKHDI-AFVYQNYSLFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDR-----NPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3D31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -108796 for 1354 contacts (-80.4/contact) +
2D Compatibility (PS) -20179 + (NN) -7783 + (LL) 19912
1D Compatibility (HY) -8400 + (ID) 2800
Total energy: -128046.0 ( -94.57 by residue)
QMean score : 0.425
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