Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLPDIVNMYFDADSCNDTDALSETFAPDAVVEDEGA--RHQGVVAILRWWVAAKKAASYVAEPLESTVDGDKALVRAKVSGRFPGS--PVTLTYSFTIKDGRIARLEIQ
2K54 Chain:A ((6-111))
---ELPVQKQLEAYNARDIDAFMAWWADDCQYYAFPATLLAGNAAEIRVRHIERFKEPDLYGELLTRVIVGNVVIDHETVTRNFPEGKGEVDVACIYEVENGRIAKAWF-
General information:
TITO was launched using:
RESULT:
Template:
2K54.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46565 for 691 contacts (-67.4/contact) +
2D Compatibility (PS) -11302 + (NN) -5397 + (LL) 428
1D Compatibility (HY) -3600 + (ID) 1050
Total energy: -67486.0 ( -97.66 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_2K54.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2K54-query.scw
PDB file :
Tito_Scwrl_2K54.pdb
: