Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIENYCQDYC----LETIFPKHYFKDLQVITLTAGQSVCKQGEQLEYLHYIVKGRFKIVRRLFNGKEHILDIKTKPTLIGDIELLTNRQIVSSVIALEDLTVIQLSLKGRKEKLLTDATFLLKLSQELAQAFHDQNIKASTNLGYTVKELLASHILAIEEQ-G-------Y--FQLELSSLADSFGVSYRHLLRVIHDMVKEGLIQKEKPKYFIKNRFALESLNIQP
3I54 Chain:A ((27-248))
---DEILARAGIFQGVEPSAIAA-----QPVDFPRGHTVFAEGEPGDRLYIIISGKVKIGRRAPDGRENLLTIMGPSDMFGELSIFDPGPRTSSATTITEVRAVSMDRDALRSWIADRPEISEQLLRVLARRLRRTNNNLADLIFTDVPGRVAKQLLQLAQRFGTQEGGALRVTHDLTQEEIAQLVGASRETVNKALADFAHRGWIRLEGKSVLISDSERLARRA---
General information:
TITO was launched using:
RESULT:
Template:
3I54.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103602 for 1456 contacts (-71.2/contact) +
2D Compatibility (PS) -22094 + (NN) -8077 + (LL) 908
1D Compatibility (HY) -6400 + (ID) 1900
Total energy: -141165.0 ( -96.95 by residue)
QMean score : 0.341
(partial model without unconserved sides chains):
PDB file :
Tito_3I54.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I54-query.scw
PDB file :
Tito_Scwrl_3I54.pdb
: