Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALQRTLSIIKPDAVSKNVIGEILTRFEKAGLRVVAAKMVQLSEREAGGFYAEHKERPFFKDLVSFMTSGPVVVQVLEGEDAIAKNRELMGATDPKKADAGTIRADFAVSIDENAVHGSDSEASAAREIAYFFAATEVCERIR
3VGS Chain:A ((2-141))
-ATERTLSIIKPDAVAKNVIGEIESRFEKAGLKIVAAKMLQLSQEQAEGFYAEHKERPFFGDLVGFMTSGPVVVQVLEGENAIAANRDLMGATNPKEAEAGTIRADYAQSIDANAVHGSDSPESAAREIAYFFEESEICSR--
General information:
TITO was launched using:
RESULT:
Template:
3VGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48000 for 1105 contacts (-43.4/contact) +
2D Compatibility (PS) -14725 + (NN) -1718 + (LL) 512
1D Compatibility (HY) -14800 + (ID) 5500
Total energy: -84231.0 ( -76.23 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_3VGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VGS-query.scw
PDB file :
Tito_Scwrl_3VGS.pdb
: