Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
2I40 Chain:A ((1-297))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRL---TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTY---VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLR-
General information:
TITO was launched using:
RESULT:
Template:
2I40.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -197061 for 2297 contacts (-85.8/contact) +
2D Compatibility (PS) -31172 + (NN) -10358 + (LL) 456
1D Compatibility (HY) -46000 + (ID) 14550
Total energy: -298685.0 ( -130.03 by residue)
QMean score : 0.782
(partial model without unconserved sides chains):
PDB file :
Tito_2I40.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I40-query.scw
PDB file :
Tito_Scwrl_2I40.pdb
: