Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYESVDVVGLTPSPNPFLSMDYYHQNRGCLIPDKGLVSGAARGFRNPHWSGSNHSVETQSTSSEEIVPSPPSPPPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHREKSCIINKVTRNRCQYCRLQKCLEVGMSKESVRNDRNKRKKDDKKQECLENYVLSPDTEKMIEQVRKAHQETFPSLCQLGKYTTNNSADHRVALDVDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPDQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLLCGDRQDLEQSDKVDELQEPLLEALKIYVRNRRPHKPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLEGGGSKGAGGGGGGGGGKGAPPGSCSPSLSPSSAHSSPSAHSP |
3A9E Chain:B ((25-263)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------SYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A9E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136650 for 1869 contacts (-73.1/contact) +
2D Compatibility (PS) -25754 + (NN) -17714 + (LL) 4500
1D Compatibility (HY) -34400 + (ID) 10750
Total energy: -220768.0 ( -118.12 by residue)
QMean score : 0.502
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