Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------MILKKKLKA------GILLQAIVLAAVFTLVLQFYLARILATERQYHSQIEASKAYLTAQLAYKTIEGDSISGKCYFTGGYASYLQEGNY--------LQVKVTLDKGGNYNHKFYR---------KTDTLQVPLKSNDNKASHKH
2KCQ Chain:A ((1-153))
MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQ--GLDVVGVYHSHPDHPARPSATDLEEATFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLEHHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2KCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30043 for 785 contacts (-38.3/contact) +
2D Compatibility (PS) -13158 + (NN) -2735 + (LL) 308
1D Compatibility (HY) 5600 + (ID) 800
Total energy: -40828.0 ( -52.01 by residue)
QMean score : 0.256
(partial model without unconserved sides chains):
PDB file :
Tito_2KCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KCQ-query.scw
PDB file :
Tito_Scwrl_2KCQ.pdb
: