Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTVVSFRADDALVAALDELARATHRDRPYHLRQALAQYLERQQWQVAAIDEGLADANAGRLLEHIEIEKRWGLQ
1BGF Chain:A ((12-53))
-------------IKFLEQVDQFYDDNFPMEIRHLLAQWIETQDWEVASNNETMATILLQNLLIQLDEQLGRVSK
General information:
TITO was launched using:
RESULT:
Template:
1BGF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -6325 for 175 contacts (-36.1/contact) +
2D Compatibility (PS) -4249 + (NN) 84 + (LL) 1132
1D Compatibility (HY) -4000 + (ID) 650
Total energy: -14008.0 ( -80.05 by residue)
QMean score : 0.309
(partial model without unconserved sides chains):
PDB file :
Tito_1BGF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BGF-query.scw
PDB file :
Tito_Scwrl_1BGF.pdb
: