Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKKLLRKEVLITLKSQPQAYKSEVDCKLLEAFIKTKAYQNSCVIATYLSFDYEYNTQLLIKQALCDGKRVLVPKTYPKGK-MIFVDYQK-DNLRATPFGLLEPVN--DRAVEKASIDLIHVPGLIFNNKGFRIGYGAGYFDRYLSDFEGDTISTIYRCQRQDFVEEKHDVAVKEVLCL
2JCB Chain:A ((12-170))
-EKLRLRKQIIEHMNSLSKERYTTLSEQIVFSLYEQKEWAEAKTIGITLSMENEVNTYPIIEKAWKEGKRVVVPKCNKETRTMSFRQISNFDQLETVYMNLREPIPALTEEVNADEIDLQIVPGVAYTERGERIGYGGGYYDRYLVHYKGKTLSLAYSFQMVEHIPVEPFDKNVEKIIT
General information:
TITO was launched using:
RESULT:
Template:
2JCB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68083 for 1092 contacts (-62.3/contact) +
2D Compatibility (PS) -17145 + (NN) -10923 + (LL) 208
1D Compatibility (HY) -10000 + (ID) 2650
Total energy: -108593.0 ( -99.44 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_2JCB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JCB-query.scw
PDB file :
Tito_Scwrl_2JCB.pdb
: