Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAK-PSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGG--VIAGWVEALQLMNAGSKWRLHVPSELAYGGQA-VGSIPPHSVLVFDVELLEIL
2DG4 Chain:A ((1-106))
------------------------------------------------------------------------------------------------------GVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGFEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKL-
General information:
TITO was launched using:
RESULT:
Template:
2DG4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60074 for 735 contacts (-81.7/contact) +
2D Compatibility (PS) -11112 + (NN) -2530 + (LL) 7204
1D Compatibility (HY) -6800 + (ID) 2300
Total energy: -75612.0 ( -102.87 by residue)
QMean score : 0.502
(partial model without unconserved sides chains):
PDB file :
Tito_2DG4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DG4-query.scw
PDB file :
Tito_Scwrl_2DG4.pdb
: