Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MSDAKVDTRRLVGRLLLVTVLMFAFGFALVPLYDVMCRALGINGKTAGSAYSGEQQVDVGREVKVQFMTSNNIDMVWEFRSAGDQLVVHPGAVNQMVFYARNPSDKPMTAQAIPSIAPAEAAAYFHKTECFCFTQQVLQPGESIEM-PVRFIVDRDLP-----KDVRHV---TLAYTLFDITARKPPVPVAGR--------
4Q7J Chain:D ((3-179))
ESFAQLFEESLKEIETRPGSIVRGVVVAIDKDVVLVDA-----------GLKSESAIPAEQFKNAQGELEIQ---------------VGDEVDVALDAVEDGFGETLLSREKAKRHEAWITLEKA----YEDAETVTGVINGKVKGGFTVELNGIRAFLPGSLVDVRPVRDTLHLEGKELEFKVIKLDQKRNNVVVSRRAVIESENS
General information:
TITO was launched using:
RESULT:
Template:
4Q7J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78576 for 874 contacts (-89.9/contact) +
2D Compatibility (PS) -16186 + (NN) 1012 + (LL) 2576
1D Compatibility (HY) -6000 + (ID) 1500
Total energy: -98674.0 ( -112.90 by residue)
QMean score : 0.222
(partial model without unconserved sides chains):
PDB file :
Tito_4Q7J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4Q7J-query.scw
PDB file :
Tito_Scwrl_4Q7J.pdb
: