Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAIGNDHVGIELKPVIVAYLQD--LGHEVDDFGAFSN-ERTDYPEYGKKVAESVAAGKSDLGILICGSGVGISIAANKVNGIRAVVCSEPYSAKLSREHNNTNILAFGSRVVGAELAKMIVQNWLDAEF-EGGRHAKRVEMIARIEDEND
3SGW Chain:A ((30-179))
LRLAIACDDAGVSYKEALKAHLSDNPLVSSITDVGVTSTTDKTAYPHVAIQAAQLIKDGKVDRALMICGTGLGVAISANKVPGIRAVTAHDTFSVERAILSNDAQVLCFGQRVIGIELAKRLAGEWLTYRFDQKSASAQKVQAISDYEKK--
General information:
TITO was launched using:
RESULT:
Template:
3SGW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90036 for 1192 contacts (-75.5/contact) +
2D Compatibility (PS) -16173 + (NN) -7180 + (LL) -156
1D Compatibility (HY) -9600 + (ID) 2650
Total energy: -125795.0 ( -105.53 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_3SGW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SGW-query.scw
PDB file :
Tito_Scwrl_3SGW.pdb
: