Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKMMVMGSVGCGKTTLCQKLHGYDILY--KKTQ------AVE-----YFQEMIDTPGEFVQHRQLYSALTVTAADASVIAILQSVTEKKQTFS-PMFA----S---IFAKPVIGIVTKVDLAESDKDIERAERELRMAGAKHIFYISSVEETGIEELRAYLED
2CE2 Chain:X ((4-160))
-YKLVVVGAGGVGKSALTIQLIQNHFVDECDPTIEDSYRKQVVIDGETCLLDILDTAGQE----EYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKSDLAARTVESRQAQDLARSYGI-PYIETSAKTRQGVEDAFYTLV-
General information:
TITO was launched using:
RESULT:
Template:
2CE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53550 for 1022 contacts (-52.4/contact) +
2D Compatibility (PS) -14889 + (NN) -4767 + (LL) 620
1D Compatibility (HY) -2000 + (ID) 1300
Total energy: -75886.0 ( -74.25 by residue)
QMean score : 0.359
(partial model without unconserved sides chains):
PDB file :
Tito_2CE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CE2-query.scw
PDB file :
Tito_Scwrl_2CE2.pdb
: