Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALQRTLSIIKPDAVSKNVIGEILTRFEKAGLRVVAAKMVQLSEREAGGFYAEHKERPFFKDLVSFMTSGPVVVQVLEGEDAIAKNRELMGATDPKKADAGTIRADFAVSIDENAVHGSDSEASAAREIAYFFAATEVCERIR
3NGU Chain:B ((1-138))
MSSERTFIAVKPDGVQRGLVGEIIARFERKGYKLVALKILQPTTEQAQGHYKDLCSKPFFPALVKYFSSGPIVCMVWEGKNVVKSGRVLLGATNPADSQPGTIRGDFAVDVGRNVCHGSDSVESAEREIAFWFKADEI-----
General information:
TITO was launched using:
RESULT:
Template:
3NGU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51561 for 1052 contacts (-49.0/contact) +
2D Compatibility (PS) -14640 + (NN) -2561 + (LL) 564
1D Compatibility (HY) -14000 + (ID) 3100
Total energy: -85298.0 ( -81.08 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_3NGU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NGU-query.scw
PDB file :
Tito_Scwrl_3NGU.pdb
: