Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVYENKEELKKEISKTFEKYIMEFNNIPENLKDKRIDEVDRTPAENLSYQVGWTNLVLKWEEDERKGLQVKTPSDKFKWNQLGELYQWFTDTYAHLSLQELKAKLNENINSIYAMIDLLSEEELFEAHMRKW--ADEATKTATWEVYKFIHVNTVAPFGTFRTKIRKWKKIVL
3DKA Chain:A ((6-142))
-------NQIVSHFLSHRNVTNELAEKISKDHYSYKPAETSMSAEELVKHILTSFHLFANVIKEGN------ASP--FQ-------------N----TETDLNVLAKTYTEKTVAILEQLTEEQLDREID---AFGR------KVTGRALLQL-AMEHEIHHKGNLFVYVREMG
General information:
TITO was launched using:
RESULT:
Template:
3DKA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10388 for 895 contacts (-11.6/contact) +
2D Compatibility (PS) -13013 + (NN) -3460 + (LL) 3324
1D Compatibility (HY) 400 + (ID) 550
Total energy: -23687.0 ( -26.47 by residue)
QMean score : 0.327
(partial model without unconserved sides chains):
PDB file :
Tito_3DKA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DKA-query.scw
PDB file :
Tito_Scwrl_3DKA.pdb
: