Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQW-RRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA
3AI1 Chain:A ((5-261))
-----ISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKF-GVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQFYWELHVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVA-DEHAPIKRFASPEELANFFVFLCSERATYSVGSAYFVDGGMLK--
General information:
TITO was launched using:
RESULT:
Template:
3AI1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176991 for 2194 contacts (-80.7/contact) +
2D Compatibility (PS) -28143 + (NN) -14940 + (LL) 296
1D Compatibility (HY) -15200 + (ID) 4150
Total energy: -239128.0 ( -108.99 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_3AI1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AI1-query.scw
PDB file :
Tito_Scwrl_3AI1.pdb
: