Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKQVVVMDEAAIKRALTRVSYEIIERNKGTKNLALVGIKTRGIYLAERLHKRILEIEGIDVPVGDIDITLYRDDLSFKDDKTREPAVHGTNIPFDINGKKVVLVDDVLYTGRTVRAAMDALMDVGRPAQIHLAVLADRGHRELPIRADYVGKNIPTSGNERVEVRLTDVDHAEDAVIINKNE
1A4X Chain:B ((4-180))
---KAVILDEQAIRRALTRIAHEMIERNKGMNNCILVGIKTRGIYLAKRLAERIEQIEGNPVTVGEIDITLY-----------DEPLVKGADIPVDITDQKVILVDDVLYTGRTVRAGMDALVDVGRPSSIQLAVLVDRGHRELPIRADYIGKNIPTSKSEKVMVQLDEVDQ-NDLVAIYEN-
General information:
TITO was launched using:
RESULT:
Template:
1A4X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114863 for 1384 contacts (-83.0/contact) +
2D Compatibility (PS) -18400 + (NN) -6380 + (LL) 896
1D Compatibility (HY) -20000 + (ID) 5700
Total energy: -164447.0 ( -118.82 by residue)
QMean score : 0.588
(partial model without unconserved sides chains):
PDB file :
Tito_1A4X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A4X-query.scw
PDB file :
Tito_Scwrl_1A4X.pdb
: