Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEEQLSKRLEKVASYITKNERIADIGSDHAYLPCFAVKNQTASFAIAGEVVDGPFQSAQKQVRSSGLTEHIDVRKGNGLAVIEKKDVIDTIVIAGMGGALIRTILEEGAAKLAGVTKLILQPNIAAWQLREWSEQNNWLITSEAILREDNKIYEIMVLAPSKKPVAWTKQEIFFGPCLLKDQSAIFKSKWRHEANTWQNIIQTISNNQPVSPENQAKIRE-LEHKIALVEDVLK
3KU1 Chain:B ((2-221))
-----ISKRLELVASFVSQGAILLDVGSDHAYLPIELVERGQIKSAIAGEVVEGPYQSAVKNVEAHGLKEKIQVRLANGLAAFEETDQVSVITIAGMGGRLIARILEEGLGKLANVERLILQPNNREDDLRIWLQDHGFQIVAESILEEAGKFYEILVVEAGQMKLSAS--DVRFGPFLSKEVSPVFVQKWQKEAEKLEFAL---------------EERQVLVDKIQAIKEVL-
General information:
TITO was launched using:
RESULT:
Template:
3KU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126052 for 1706 contacts (-73.9/contact) +
2D Compatibility (PS) -22838 + (NN) -6808 + (LL) 1184
1D Compatibility (HY) -18800 + (ID) 4900
Total energy: -178214.0 ( -104.46 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_3KU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KU1-query.scw
PDB file :
Tito_Scwrl_3KU1.pdb
: