Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA
4IJQ Chain:A ((10-223))
----SPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLK----------------DDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA
General information:
TITO was launched using:
RESULT:
Template:
4IJQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173484 for 1557 contacts (-111.4/contact) +
2D Compatibility (PS) -21978 + (NN) -10323 + (LL) 684
1D Compatibility (HY) -32400 + (ID) 9900
Total energy: -247401.0 ( -158.90 by residue)
QMean score : 0.700
(partial model without unconserved sides chains):
PDB file :
Tito_4IJQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IJQ-query.scw
PDB file :
Tito_Scwrl_4IJQ.pdb
: