Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALQRTLSIIKPDAVSKNVIGEILTRFEKAGLRVVAAKMVQLSEREAGGFYAEHKERPFFKDLVSFMTSGPVVVQVLEGEDAIAKNRELMGATDPKKADAGTIRADFAVSIDENAVHGSDSEASAAREIAYFFAATEVCERIR
3NGS Chain:B ((2-138))
-SSERTFIAVKPDGVQRGLVGEIIARFERKGYKLVALKILQPTTEQAQGHYKDLCSKPFFPALVKYFSSGPIVCMVWEGKNVVKSGRVLLGATNPADSQPGTIRGDFAVDVGRNVCHGSDSVESAEREIAFWFKADEI-----
General information:
TITO was launched using:
RESULT:
Template:
3NGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50307 for 1046 contacts (-48.1/contact) +
2D Compatibility (PS) -14378 + (NN) -1701 + (LL) 772
1D Compatibility (HY) -13600 + (ID) 3050
Total energy: -82264.0 ( -78.65 by residue)
QMean score : 0.422
(partial model without unconserved sides chains):
PDB file :
Tito_3NGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NGS-query.scw
PDB file :
Tito_Scwrl_3NGS.pdb
: