Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
3S2P Chain:A ((1-298))
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKI--------VPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAF-----------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
General information:
TITO was launched using:
RESULT:
Template:
3S2P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -196480 for 2210 contacts (-88.9/contact) +
2D Compatibility (PS) -29696 + (NN) -10414 + (LL) 1048
1D Compatibility (HY) -44400 + (ID) 13950
Total energy: -293892.0 ( -132.98 by residue)
QMean score : 0.776
(partial model without unconserved sides chains):
PDB file :
Tito_3S2P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S2P-query.scw
PDB file :
Tito_Scwrl_3S2P.pdb
: