Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYESVDVNPFLMMDYYNQSRGCLIPDKMPHPFSSSIRHQHWSGSNHSIETQSTSSEEIVPSPPSPPPPPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHREKNCIINKVTRNRCQYCRLQKCLEVGMSKESVRNDRNKKKKEEKKPECTENYTLSPDTEQMIDRVRKAHQETFPSLCQLGKYTTSNSSERRVALDVDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLLCGDRQDLEQADKVDVLQEPLLEALKIYVRNRRPHKPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLESSSGAQGSRASATTPGSCSPSLSPNSAQSSPPTQSP |
3KMR Chain:A ((27-260)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3KMR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -136618 for 1844 contacts (-74.1/contact) +
2D Compatibility (PS) -25416 + (NN) -19437 + (LL) 7440
1D Compatibility (HY) -34400 + (ID) 10700
Total energy: -219131.0 ( -118.83 by residue)
QMean score : 0.527
|
|
|