Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSER-KLFTSESVSEGHPDKIADQISDAILDAILEQDPDAHVAAETAVYTGSVHVFGEISTTA---YVDINRVVRNTIAEIGYDKAEYGFSAESVGVHPSLVEQSPDIAQGVNEALEVRGSLEQDPLDLIGAGDQGLMFGFAVDETPELMPLPISLAHQLVKKLTDLRKSGELTYLRPDAKSQVTVEYDENNQPIRVDAVVISTQHDPNV-TNDQLHKDVIEKVINEVIPSHYLD----DQTKFFINPTGRFVIGGPQGDSGLTGRKIIVDTYGGYSRHGGGAFSGKDATKVDRSASYAARYIAKNIVAADLAKKVEVQLAYAIGVAQPVSVRVDTFGTGVIAEADLEAAVRQIFDLRPAGIINMLDLKRPIYRQTAAYGHMGRTDIDLPWERVDKVQALKDFIASK |
3S82 Chain:B ((6-407)) | -SEKGRLFTSESVTEGHPDKICDAISDSVLDALLAQDPRSRVAVETLVTTGQVHVVGEVTTTAKEAFADITNTVRERILDIGYDSSDKGFDGASCGVNIGIGAQSP--------------------------GDQGLMFGYAINDTPERMPLPIALAHRLSRRLTEVRKNGVLPYLRPDGKTQVTIEF-EDDVPVRLDTVVISTQHAADIDLENTLTPDIREKVLNTVLNDLAHDTLDTSSTRLLVNPTGKFVVGGPMGDAGLTGRKIIVDTYGGWARHGGGAFSGKDPSKVDRSAAYAMRWVAKNIVAAGLAERVEVQVAYAIGKAAPVGLFIETFGTATVDPVKIEKIVPEVFDLRPGAIIRDLDLLRPIYAQTAAYGHFGRTDVELPWEQLNKVDDLKRAI--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S82.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155382 for 3255 contacts (-47.7/contact) +
2D Compatibility (PS) -39234 + (NN) -14861 + (LL) 1900
1D Compatibility (HY) -36400 + (ID) 11100
Total energy: -255077.0 ( -78.36 by residue)
QMean score : 0.457
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