Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIIIRLDVILAKNKVRSKELAEAIGITEQNLSLLKNGKVKGIRLDTLEKICAFLDCQPGDILEYVADD
3BS3 Chain:A ((14-70))
----RIKVVLAEKQRTNRWLAEQMGKSENTISRWCSNKSQP-SLDMLVKVAELLNVDPRQLI------
General information:
TITO was launched using:
RESULT:
Template:
3BS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -31738 for 386 contacts (-82.2/contact) +
2D Compatibility (PS) -6399 + (NN) -5532 + (LL) 1404
1D Compatibility (HY) -4400 + (ID) 850
Total energy: -47515.0 ( -123.10 by residue)
QMean score : 0.790
(partial model without unconserved sides chains):
PDB file :
Tito_3BS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BS3-query.scw
PDB file :
Tito_Scwrl_3BS3.pdb
: