Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELIGDKS--TVQQAIHALQLIGFENVKSYRLPQTN-IVT---------S----------------SIHSSEMT--GEEHNVLDVRNDDEWR-----------KGHLKQAIHIPHGKLLNED---------------IPFDKNDLIYVHCQSGVRSSIAVGILE-YKGFTNIVNVRGGYQHLPAFLK
3AAY Chain:A ((80-267))
VILYGGNNNWFAAYAYWYFKLYGHEKV-KLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILAQEQSQRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGS---
General information:
TITO was launched using:
RESULT:
Template:
3AAY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67318 for 913 contacts (-73.7/contact) +
2D Compatibility (PS) -13259 + (NN) -3162 + (LL) 436
1D Compatibility (HY) -5600 + (ID) 1600
Total energy: -90503.0 ( -99.13 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_3AAY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AAY-query.scw
PDB file :
Tito_Scwrl_3AAY.pdb
: