Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHEYSVVSSLIALCEEHAKKNQAHKIERVVVGIGERSAMDKSLFVSAFETFREESLVCKDAILDIVDEKVELECKDCSHVFKPNALDYGVCEKCHSKNVIITQGNEMRLLSLEMLAE
3A44 Chain:A ((2-81))
-HEWALADAIVRTVLDYAQREGASRVKAVRVVLGELQDVAEDIVKFAMEQLF-AGTIAEGAEIEFVEEEAVFKCRNCNYEWKLKEVKDKFDERIKEDIHFIPEVVHAFLACPKCGSH
General information:
TITO was launched using:
RESULT:
Template:
3A44.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40419 for 452 contacts (-89.4/contact) +
2D Compatibility (PS) -8349 + (NN) -1443 + (LL) 312
1D Compatibility (HY) -5200 + (ID) 800
Total energy: -55899.0 ( -123.67 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_3A44.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A44-query.scw
PDB file :
Tito_Scwrl_3A44.pdb
: