Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
3QWJ Chain:A ((9-306))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
General information:
TITO was launched using:
RESULT:
Template:
3QWJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -191425 for 2361 contacts (-81.1/contact) +
2D Compatibility (PS) -31195 + (NN) -10167 + (LL) 256
1D Compatibility (HY) -46000 + (ID) 14700
Total energy: -293231.0 ( -124.20 by residue)
QMean score : 0.740
(partial model without unconserved sides chains):
PDB file :
Tito_3QWJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3QWJ-query.scw
PDB file :
Tito_Scwrl_3QWJ.pdb
: