Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYQRIRDLREDHDFTQRYVAEVLSFSHTNYAKIERGEVVLTADVLIKLSKLYNVSTDYILGLTDYPHKINFKK
3BS3 Chain:A ((12-71))
-LNRIKVVLAEKQRTNRWLAEQMGKSENTISRWCSNKSQPSLDMLVKVAELLNVDPRQLIN------------
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) -42062 for 416 contacts (-101.1/contact) +
2D Compatibility (PS) -6361 + (NN) 128 + (LL) 804
1D Compatibility (HY) -4000 + (ID) 650
Total energy: -52141.0 ( -125.34 by residue)
QMean score : 0.606
(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
: