Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIERTLSILKPDTVKNNIIGNINSYIEKSGLRIIAQKMMLLTKKQAELFYAIHKDRPFFGGLVEFMTSGPVIVQVLVGENAISKYRQIMGATDPKQADKGTIRGDFADDVNENRVHGSDSLENAHKEIAFFFAECELV
3VGS Chain:A ((2-139))
-ATERTLSIIKPDAVAKNVIGEIESRFEKAGLKIVAAKMLQLSQEQAEGFYAEHKERPFFGDLVGFMTSGPVVVQVLEGENAIAANRDLMGATNPKEAEAGTIRADYAQSIDANAVHGSDSPESAAREIAYFFEESEIC
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) -55431 for 1089 contacts (-50.9/contact) +
2D Compatibility (PS) -14636 + (NN) -2397 + (LL) 208
1D Compatibility (HY) -12400 + (ID) 4300
Total energy: -88956.0 ( -81.69 by residue)
QMean score : 0.440
(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
: