Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLMMKNITKNYQDGEQVIEVLKNVSLEVAQGEFVAIVGPSGAGKSTFLSIAGALLSPT----EGEIAIGGKVLNDLTSKDLTKVRLDKVGFIFQGA--NLIPYLNVRDQLLVIAELSGDKGRVAK--EKADELLKELGLTARE--NNYPESLSGGEKQRVAIARALMNDPDIILADEPTASLDASRGHKVVQMIADEVKRKNKAAIMVTHDERV-LDLVDRVIRIEDGYLKD
4FWI Chain:B ((14-243))
-----------YLVREGTIKAADGISLDILENSVTAIVGESASGKSTIIEAMTKTLPPNGRILSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQSLNPTMKVIEHFKDTVEAHGVRWSHSELIEKASEKLRMVRLNPEAVLNSYPLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELKKMLKITLIFVTHDIAVAAELADKVAVIYGGNL--
General information:
TITO was launched using:
RESULT:
Template:
4FWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92468 for 1502 contacts (-61.6/contact) +
2D Compatibility (PS) -23096 + (NN) -11471 + (LL) 1064
1D Compatibility (HY) -11600 + (ID) 3650
Total energy: -141221.0 ( -94.02 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_4FWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FWI-query.scw
PDB file :
Tito_Scwrl_4FWI.pdb
: