Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTSSHACPVPAVRGHMTHYPAAPYPLLFPPVIRGLSLPPLHGLHGHPPPSGCSTPSPASVGQACQRTTGGSQFAASTKWTPSLNAAIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKEPSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGHEPLTPSSSGNIAEHSPSVSPSSVENSGVSQSPLLQ |
4JYH Chain:B ((23-261)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMME---------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JYH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150460 for 1848 contacts (-81.4/contact) +
2D Compatibility (PS) -25608 + (NN) -16994 + (LL) 8336
1D Compatibility (HY) -35200 + (ID) 11900
Total energy: -231826.0 ( -125.45 by residue)
QMean score : 0.503
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