Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAG-GPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAES-----DDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR-
4OA5 Chain:A ((16-227))
---------SKQDEYLNKLF-AVDTEGALKAHKTAPSELRMAQLGTVEGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSSNAHASMRAFNDELANKEKYLSTIIPT-----SEGMMVSIKLT
General information:
TITO was launched using:
RESULT:
Template:
4OA5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135681 for 1710 contacts (-79.3/contact) +
2D Compatibility (PS) -23040 + (NN) -15472 + (LL) 252
1D Compatibility (HY) -12800 + (ID) 2800
Total energy: -189541.0 ( -110.84 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_4OA5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4OA5-query.scw
PDB file :
Tito_Scwrl_4OA5.pdb
: