Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSASILNAQNLSKVVGSAEGKLTILHDLSLDLARGDSLAIVGSSGSGKSTLLGLLAGLDQPSG----GEVRLAGHALGDLDEDQRARVRAAHVGFVFQSFQ--LLDSLDALENVMLPLELEG----RADARQRARELLERVGLGQR--LGHYPRQLSGGEQQRVAIARAFAAEPDVLFADEPTGNLDSATGERISDLLFELNRERGTTLVLVTHDERLAHRCRRLIRLESGRLIDRVEP
4FWI Chain:B ((4-224))
----IIRVEDLRAVYLVREGTIKAADGISLDILENSVTAIVGESASGKSTIIEAMTKTLPPNGRILSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQSLNPTMKVIEHFKDTVEAHGVRWSHSELIEKASEKLRMVRLNPEAVLNSYPLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELKKMLKITLIFVTHD------------------------
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) -99200 for 1445 contacts (-68.7/contact) +
2D Compatibility (PS) -22099 + (NN) -10675 + (LL) 2440
1D Compatibility (HY) -14000 + (ID) 3650
Total energy: -147184.0 ( -101.86 by residue)
QMean score : 0.463
(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
: