Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGR-----DVTFEEYLVH----ILKHFEQNQDSIATLLLSD--DPYFLLRFRSELEHDVYPRLREEYI-T-KVDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVER
3AQT Chain:A ((40-216))
--RAQKREQTRARLITSARTLMAERGVDNVGIAEITEGANIGTGTFYNYFPDREQLLQAVAEDAFESVGIALDQVLTKLDDPAEVFAGSLRHLVRHSLEDRIWGGFFIQMGAAHPVLMRILG----PRARRDLLHGLETGRFTIEDLDLATTCTFGSLIAAIQMALS-------DDKDQIFAAAMLR
General information:
TITO was launched using:
RESULT:
Template:
3AQT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88221 for 1101 contacts (-80.1/contact) +
2D Compatibility (PS) -16962 + (NN) -10677 + (LL) 1612
1D Compatibility (HY) -4000 + (ID) 1200
Total energy: -119448.0 ( -108.49 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_3AQT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AQT-query.scw
PDB file :
Tito_Scwrl_3AQT.pdb
: