Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNFEGKLIGKDLKVAIVVSRFNDFITGRLLEGAKDTLIR-HDVNEDNIDVAFVPGAFEIPLVAKKLASSGNYDAIITLGCVIRGATSHYDYVCNEVAKGVSKVNDQTNVPVIFGILTTESIEQAVERAGTKAGNKGAEAAVSAIEMANLLKSIKA
3MK3 Chain:A ((12-154))
----------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) -105617 for 1207 contacts (-87.5/contact) +
2D Compatibility (PS) -15951 + (NN) -10462 + (LL) 736
1D Compatibility (HY) -13600 + (ID) 4150
Total energy: -149044.0 ( -123.48 by residue)
QMean score : 0.649
(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
: