Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGMDQQPNPPDVDAFLDSTLV-GDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAG-GPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESD-----DADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
4PCA Chain:A ((13-225))
-------SLSKQDEYLNKLFAVDTEGALKAHKTAPSELRMA--QLGTVEGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSSNAHASMRAFNDELANKEKYLSTIIPTS-----EGMMVSIKL
General information:
TITO was launched using:
RESULT:
Template:
4PCA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145246 for 1710 contacts (-84.9/contact) +
2D Compatibility (PS) -23113 + (NN) -15185 + (LL) 548
1D Compatibility (HY) -13600 + (ID) 2800
Total energy: -199396.0 ( -116.61 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_4PCA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PCA-query.scw
PDB file :
Tito_Scwrl_4PCA.pdb
: