Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSKDIIKLLNEQVNKEMNSSNLYMSMSSWCYTHSLDGAGLFLFDHAAEEYEHAKKLIIFLNENNVPVQLTSISAPEHKFEGLTQIFQKAYEHEQHISESINNIVDHAIKSKDHATFNFLQWYVAEQHEEEVLFKDILDKIELIGNENHGLYLADQYVKGIAKSRKS
3BVF Chain:A ((15-180))
MLSKDIIKLLNEQVNKEMNSSNLYMSMSSWCYTHSLDGAGLFLFDHAAEEYEHAKKLIIFLNENNVPVQLTSISAPEHKFEGLTQIFQKAYEHEQHISESINNIVDHAIKSKDHATFNFLQWYVAEQHEEEVLFKDILDKIELIGNENHGLYLADQYVKGIAKSRK-
General information:
TITO was launched using:
RESULT:
Template:
3BVF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82558 for 1268 contacts (-65.1/contact) +
2D Compatibility (PS) -18038 + (NN) -10372 + (LL) -28
1D Compatibility (HY) -24000 + (ID) 8300
Total energy: -143296.0 ( -113.01 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_3BVF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BVF-query.scw
PDB file :
Tito_Scwrl_3BVF.pdb
: