Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKTHLFDLDGKIAFVSGASRGIGEAIAKLLAQQGAHVIVSSRKIDGCQAVADAITAEGG-KATAIACHIGEMEQIQNVFAQIREQFGRLDILVNNAATNPQFCNVLETDLGAFQKTVDVNIRGYYFMSIEGGKLMKEHGGGSIINVASINGVSPGEFQGIYSVTKAAVISMTKVFAKECAQFGIRCNALLPGLTDT----KFASALVKNDA------IRNLALQRIPLKRVAEPSEMAGAVLYLASEASSYTTGVALNVDGGFLS
3AI3 Chain:E ((5-260))
--------ISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSN-ETIMEAADEKWQFYWELLVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVADEHAPIKRFASPEELANFFVFLCSERATYSVGSAYFVDGGMLK
General information:
TITO was launched using:
RESULT:
Template:
3AI3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161613 for 2097 contacts (-77.1/contact) +
2D Compatibility (PS) -26321 + (NN) -7453 + (LL) 704
1D Compatibility (HY) -18400 + (ID) 4300
Total energy: -217383.0 ( -103.66 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_3AI3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AI3-query.scw
PDB file :
Tito_Scwrl_3AI3.pdb
: