Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHSLQAKILDPRLGSDFPLPQYATPGSAGLDLRAMLKEDS--VLGPGQTLLIPTGLSIYIADPGLAALVLPRSGLGHKHGIVLGNLVGLIDSDYQGELMVSCWNRGESPFTIAVGERIAQLVLVPVVQAHFELVEAFDESQRGAGGFGHSGSH
3MDX Chain:A ((45-172))
------------------LPAYETAGSAGMDLRAAVAEDRQIVLLPGRRTLVPTGLILEIPQ-GYEVQIRPRSGLAFKNGITCLNTPGTIDSDYRGEVKVLLINLGDDDFRIERGMRIAQAVFAPVIQPKIEERAK-----RGAGGF------
General information:
TITO was launched using:
RESULT:
Template:
3MDX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98893 for 746 contacts (-132.6/contact) +
2D Compatibility (PS) -12870 + (NN) -3532 + (LL) 684
1D Compatibility (HY) -6800 + (ID) 3150
Total energy: -124561.0 ( -166.97 by residue)
QMean score : 0.389
(partial model without unconserved sides chains):
PDB file :
Tito_3MDX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MDX-query.scw
PDB file :
Tito_Scwrl_3MDX.pdb
: