Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSKDIIKLLNEQVNKEMNSSNLYMSMSSWCYTHSLDGAGLFLFDHAAEEYEHAKKLIIFLNENNVPVQLTSISAPEHKFEGLTQIFQKAYEHEQHISESINNIVDHAIKSKDHATFNFLQWYVAEQHEEEVLFKDILDKIELIGNENHGLYLADQYVKGIAKSRKS
3BVK Chain:A ((15-180))
MLSKDIIKLLNEQVNKEMNSSNLYMSMSSWCYTHSLDGAGLFLFDHAAEEYEHAKKLIIFLNENNVPVQLTSISAPEHKFEGLTQIFQKAYEHEQHISESINNIVDHAIKSKDHATFNFLQWYVAEQHEEEVLFKDILDKIELIGNENHGLYLADQYVKGIAKSRK-
General information:
TITO was launched using:
RESULT:
Template:
3BVK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85332 for 1258 contacts (-67.8/contact) +
2D Compatibility (PS) -18038 + (NN) -10372 + (LL) -28
1D Compatibility (HY) -24000 + (ID) 8300
Total energy: -146070.0 ( -116.11 by residue)
QMean score : 0.598
(partial model without unconserved sides chains):
PDB file :
Tito_3BVK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BVK-query.scw
PDB file :
Tito_Scwrl_3BVK.pdb
: