Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQW-RRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA
3AI2 Chain:C ((5-261))
-----ISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKF-GVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQFYWELHVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVA-DEHAPIKRFASPEELANFFVFLCSERATYSVGSAYFVDGGMLK--
General information:
TITO was launched using:
RESULT:
Template:
3AI2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172826 for 2193 contacts (-78.8/contact) +
2D Compatibility (PS) -28181 + (NN) -14855 + (LL) 296
1D Compatibility (HY) -15200 + (ID) 4150
Total energy: -234916.0 ( -107.12 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_3AI2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AI2-query.scw
PDB file :
Tito_Scwrl_3AI2.pdb
: