Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSKDNTCPPPGPGHINGFHVPHYAFFFPHMLGGMSXTGGLPGVQHQPPLSGYSTPSPATIETQSTSSEEIVPSPPTPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKESPKPEAIESYILSPETQDLIEKVQKAHQETFPALCQLGKYTTSFSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKSACLDILILRICTRYTPDQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQPVPLEMDDAETGLLSAICLICGDRQDLEQPDKVDKLQEPLLEALKIYVRTRRPQKPHMFPKMLMKITDLRTVSAKGAERVITLKMEIPGAMP-LIQEMLENSEGLDTLGGGASSDAPVTPVAPGSCSPSLSPSSTHSSPSTHSP |
3KMR Chain:A ((27-260)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE-------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KMR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136074 for 1836 contacts (-74.1/contact) +
2D Compatibility (PS) -25030 + (NN) -16558 + (LL) 5936
1D Compatibility (HY) -33200 + (ID) 10700
Total energy: -215626.0 ( -117.44 by residue)
QMean score : 0.505
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