Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPDPAAHLPFFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVHDVRFHHFPIERQLNGTYAIAGGKAHCGPAELCQFYSQDPDGLPCNLRKPCNRPPGLEPQPGVFDCLRDAMVRDYVRQTWKLEGDALEQAIISQAPQVEKLIATTAHERMPWYHSSLTREEAERKLYSGQQTDGKFLLRPRKEQGTYALSLVYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVEYLKLKADGLIYRLKEVCPNSSASAAVAAPTLPAHPSTFTQPQRRVDTLNSDGYTPEPARLASSTDKPRPMPMDTSVYESPYSDPEELKDKKLFLKRENLLVADIELGCGNFGSVRQGVYRMRKKQIDVAIKVLK-QGTEKADKDEMMREAQIMHQLDNPYIVRLIGVCQAEALMLVMEMAGGGPLHKFLLGKKEEIPVSNVAELLHQVAMGMKYLEEKNFVHRDLAARNVLLVNRHYAKISDFGLSKALGADDSYYTARSAGKWPLKWYAPECINFRKFSSRSDVWSYGVTMWEAFSYGQKPYKKMKGPEVLDFIKQGKRMECPPECPPEMYALMSDCWIYKWEDRPDFLTVEQRMRNYYYSLASRAEGPPQCEQVAEAACG |
3TUC Chain:A ((16-291)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYL-QQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGL-------------------PVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDV------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TUC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161490 for 2005 contacts (-80.5/contact) +
2D Compatibility (PS) -27019 + (NN) -9432 + (LL) 20320
1D Compatibility (HY) -34800 + (ID) 7950
Total energy: -220371.0 ( -109.91 by residue)
QMean score : 0.225
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