Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAK-PSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGG--VIAGWVEALQLMNAGSKWRLHVPSELAYGGQA-VGSIPPHSVLVFDVELLEIL
2DG3 Chain:A ((1-106))
------------------------------------------------------------------------------------------------------GVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKL-
General information:
TITO was launched using:
RESULT:
Template:
2DG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59635 for 718 contacts (-83.1/contact) +
2D Compatibility (PS) -10998 + (NN) -1232 + (LL) 7204
1D Compatibility (HY) -6800 + (ID) 2350
Total energy: -73811.0 ( -102.80 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_2DG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DG3-query.scw
PDB file :
Tito_Scwrl_2DG3.pdb
: