Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPKDLLYTEEHEWVK-ADDGSYVIGITDFAQDQLGDIVFVELPEVGDTVTKGDSIGSIESVKTVSDFYAPVTGKVVAVNETLEDEPELINSNPYDTGWILKLEEVEEADVKALLSSDDYEKVLD
3HGB Chain:A ((26-140))
--IPSDLHYTAEHEWIRRSGDDTVRVGITDYAQSALGDVVFVQLPVIGTAVTAGETFGEVESTKSVSDLYAPISGKVSEVNSDLDGTPQLVNSDPYGAGWLLDI-QVDSSDVAALESA--------
General information:
TITO was launched using:
RESULT:
Template:
3HGB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45057 for 891 contacts (-50.6/contact) +
2D Compatibility (PS) -12346 + (NN) -3966 + (LL) 684
1D Compatibility (HY) -12400 + (ID) 2950
Total energy: -76035.0 ( -85.34 by residue)
QMean score : 0.683
(partial model without unconserved sides chains):
PDB file :
Tito_3HGB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HGB-query.scw
PDB file :
Tito_Scwrl_3HGB.pdb
: