Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKTHLFDLDGKIAFVSGASRGIGEAIAKLLAQQGAHVIVSSRKIDGCQAVADAITAEGG-KATAIACHIGEMEQIQNVFAQIREQFGRLDILVNNAATNPQFCNVLETDLGAFQKTVDVNIRGYYFMSIEGGKLMKEHGGGSIINVASINGVSPGEFQGIYSVTKAAVISMTKVFAKECAQFGIRCNALLPGLTDT----KFASALVKNDA------IRNLALQRIPLKRVAEPSEMAGAVLYLASEASSYTTGVALNVDGGFLS
3AI2 Chain:D ((5-260))
--------ISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSN-ETIMEAADEKWQFYWELHVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVADEHAPIKRFASPEELANFFVFLCSERATYSVGSAYFVDGGMLK
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) -161100 for 2077 contacts (-77.6/contact) +
2D Compatibility (PS) -26289 + (NN) -6675 + (LL) 704
1D Compatibility (HY) -18400 + (ID) 4300
Total energy: -216060.0 ( -104.03 by residue)
QMean score : 0.512
(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
: