Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
2VTA Chain:A ((1-298))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR---------STAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAF-----------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
General information:
TITO was launched using:
RESULT:
Template:
2VTA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -189527 for 2208 contacts (-85.8/contact) +
2D Compatibility (PS) -29449 + (NN) -10362 + (LL) 1000
1D Compatibility (HY) -44000 + (ID) 13900
Total energy: -286238.0 ( -129.64 by residue)
QMean score : 0.795
(partial model without unconserved sides chains):
PDB file :
Tito_2VTA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VTA-query.scw
PDB file :
Tito_Scwrl_2VTA.pdb
: