Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIALFAGGDLTYFEYDFDYFVGIDRGSLFLLKNGLSLDMAVGDFDSITEDELLYIKHYCSNIVSASAEKNDTDTELALKTIFKE-FPEAQVTVFGAFGGRIDHMMSNIFLPSDTDLEPFMSQIRLKDEQNIVTYLPSGKNQVSR-IEGMSYVSFMPE-SESTLQISGAKYELNKSNYFKKKMYSSNEFMTSPIEVELKDGYLIIIYSKDRG
3IHK Chain:A ((2-208))
-TKVALFSGGDLTYFTRDFDYFVGIDKGSSFLLKNQLPLDLAIGDFDSVSAEEFKQIKAKAKKLVMAPAEKNDTDTELALKTIFDCFGR-VEIIVFGAFGGRIDHMLSNIFLPSDPDLAPFMRCFKLRDEQNLVEFFPAGQHQ-IEQATDMVYISFMAANG-AHLSIQDAKYELTEENYFQKKIYSSNEFKDKPICFSVASGYVVVIQTKD--
General information:
TITO was launched using:
RESULT:
Template:
3IHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125351 for 1613 contacts (-77.7/contact) +
2D Compatibility (PS) -22265 + (NN) -12571 + (LL) 536
1D Compatibility (HY) -23600 + (ID) 6100
Total energy: -189351.0 ( -117.39 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_3IHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IHK-query.scw
PDB file :
Tito_Scwrl_3IHK.pdb
: