Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERLQKVIANAGITSRRKAEKLIQEGKVTVNGKVVTELGVKVSGTERIEVEGIQLTK----EEHRYFLFYKPRGTVSAVTDDKGRTTVADYFADIPERLYPVGRLDYDTSGLLLMTNDGDFANLLMHPKNEVSKTYIARIKGIPEREVIRQLERGVVIDGRKTAPAKVKVRSSDKTKDKAIVEITIHEGRNRQVRKMFEAVGFEVQKLSREEYSFLNLRGLNAGERRELSHHEVKQLKTEARFGKNKK
3DH3 Chain:C ((8-232))
--RLNKYISESGICSRREADRYIEQGNVFLNGKRAT-IGDQVKPGDVVKVNG-QLIEPREAEDLVLIALNKPVGIVST-TEDGERDNIVD-FVNHSKRVFPIGRLDKDSQGLIFLTNHGDLVNKILRAGNDHEKEYLVTVDKPITEEFIRGMSAGVPILGTVTKKCKVKKEAP------FVFRITLVQGLNRQIRRMCEHFGYEVKKLERTRIMNVSLSGIPLGEWRDLTDDELIDL-----------
General information:
TITO was launched using:
RESULT:
Template:
3DH3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85282 for 1619 contacts (-52.7/contact) +
2D Compatibility (PS) -24056 + (NN) -8854 + (LL) 1532
1D Compatibility (HY) -17600 + (ID) 4250
Total energy: -138510.0 ( -85.55 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_3DH3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DH3-query.scw
PDB file :
Tito_Scwrl_3DH3.pdb
: