Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELIGDKSTVQQAIHALQLIGFENVKSYRLPQTN-IVT--------SSIHSSEMT------------GEEHNVLDVRN--DDEWRKGHLKQAIHIPHGKLLNE--------------DI--PFDKNDLIYVHCQSGVRSSIAVGILEYKGFTNIVNVRGGYQHLPAFLK
2WLR Chain:A ((79-242))
VALYGNDKDVDAVKTRLQKAGLTHI-SILSDALSEPSRLQKLPHFEQLVYPQWLHDLQQGKEVTAKPAGDWKVIEAAWGAPKLYLISHIPGADYIDTNEVESEPLWNKVSDEQLKAMLAKHGIRHDTTVILYGRDVYAAARVAQIMLYAGVKDVRLLDGGWQTWSDA--
General information:
TITO was launched using:
RESULT:
Template:
2WLR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64072 for 808 contacts (-79.3/contact) +
2D Compatibility (PS) -13443 + (NN) -3507 + (LL) 340
1D Compatibility (HY) -5600 + (ID) 900
Total energy: -87182.0 ( -107.90 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_2WLR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WLR-query.scw
PDB file :
Tito_Scwrl_2WLR.pdb
: