Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQLFLIIGAPGSGKTTDAELIAKNNSETIAHFSTGDLLRAESAKKTERGLLIEKFTSQGELVPLEI---VVETILSAIKSSSKGIILIDGYPRSVEQMQALDKELNAQNEVILKSVIEVEVSENTAKERVLGR------------------------SRGADDNERVFHNRMRVFLDPLVEIQNFYKAKHLHKIINGERSIEEIVNEMQKYILSFAN
4W5J Chain:B ((8-216))
----LLIMGLPGAGKGTQAAKIVEQFH--VAHISTGDMFRAAMANQTEMGVLAKSYIDKGELVPDEVTNGIVKERLSQDDIKETGFLL-DGYPRTIEQAHALDKTL-AELGIELEGIINIEVNPDSLLERLSGRIIHRVTGETFHKVFNPPVYKEEDYYQREDDKPETVKRRLDVNIAQGEPIIAHYRAKGLVHDIEGNQDINDVFSDIEKVLTNLK-
General information:
TITO was launched using:
RESULT:
Template:
4W5J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57396 for 1366 contacts (-42.0/contact) +
2D Compatibility (PS) -20459 + (NN) -15118 + (LL) 992
1D Compatibility (HY) -12800 + (ID) 3400
Total energy: -108181.0 ( -79.20 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_4W5J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4W5J-query.scw
PDB file :
Tito_Scwrl_4W5J.pdb
: