Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGG-DEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
3MK3 Chain:Z ((1-154))
MNIIKANVAAP-DARVAITIARFNQFINDSLLDGAVDALTRIGQVKDDNITVVWVPGAYELPLATEALAKSGKYDAVVALGTVIRGGTAHFEYVAGGASNGLASVAQDSGVPVAFGVLTTESIEQAIERAGTKAGNKGAEAALTALEMINVLKAI--
General information:
TITO was launched using:
RESULT:
Template:
3MK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107596 for 1286 contacts (-83.7/contact) +
2D Compatibility (PS) -17156 + (NN) -11322 + (LL) -184
1D Compatibility (HY) -12000 + (ID) 3750
Total energy: -152008.0 ( -118.20 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_3MK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MK3-query.scw
PDB file :
Tito_Scwrl_3MK3.pdb
: