Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPIPNNPGAGENAFDPVFVNDDDGYDLDSFMIPAHYKKYLTKVLVPNGVIKNRIEKLAYDIKKVYNNEEFHILCLLKGSRGFFTALLKHLSRIHNYSAVETSKPLFGEHYVRVKSYCNDQSTGTLEIVS-EDLSCLKGKHVLIVEDIIDTGKTLVKFCEYLKKFEIKTVAIACLFIKRTPLWNGFKADFVGFSIPDHFVVGYSLDYNEIFRDLDHCCLVNDEGKKKYKATSL
3GEP Chain:A ((8-217))
----------------VISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNS--DRSIPMTVD-FIRLKS---DQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA---
General information:
TITO was launched using:
RESULT:
Template:
3GEP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -204942 for 1581 contacts (-129.6/contact) +
2D Compatibility (PS) -22058 + (NN) -7181 + (LL) 364
1D Compatibility (HY) -23600 + (ID) 5050
Total energy: -262467.0 ( -166.01 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_3GEP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GEP-query.scw
PDB file :
Tito_Scwrl_3GEP.pdb
: