Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPFDDPQAELAWMFLQSLCEGGDLDEGFALLSNDFTYWSIVTRTEL-DKKTFRRAVERRKQVFEVNIELIRCVNEGETVVVEGHCDGVSADRTRYDSPFVCIFETRDGMIISLREYSDTQSLAEVYPVACATPGRC
2K54 Chain:A ((1-123))
---MNSEIELPVQKQLEAYNAR-DIDAFMAWWADDCQYYAFPATLLAGNAAEIRVRHIERFKEPDLYGELLTRVIVGNVVIDHETVTRNFPEG-KGEVDVACIYEVENGRIAKAWFKIGEPRIVSQKS---------
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) -45567 for 857 contacts (-53.2/contact) +
2D Compatibility (PS) -13232 + (NN) -5564 + (LL) 432
1D Compatibility (HY) -1200 + (ID) 900
Total energy: -66031.0 ( -77.05 by residue)
QMean score : 0.433
(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
: