Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
4BGH Chain:A ((1-298))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKI---------PSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLA--------------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
General information:
TITO was launched using:
RESULT:
Template:
4BGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -188179 for 2161 contacts (-87.1/contact) +
2D Compatibility (PS) -29442 + (NN) -11602 + (LL) 1616
1D Compatibility (HY) -43600 + (ID) 13750
Total energy: -284957.0 ( -131.86 by residue)
QMean score : 0.778
(partial model without unconserved sides chains):
PDB file :
Tito_4BGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BGH-query.scw
PDB file :
Tito_Scwrl_4BGH.pdb
: