Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEEQLSKRLEKVASYITKNERIADIGSDHAYLPCFAVKNQTASFAIAGEVVDGPFQSAQKQVRSSGLTEHIDVRKGNGLAVIEKKDVIDTIVIAGMGGALIRTILEEGAAKLAGVTKLILQPNIAAWQLREWSEQNNWLITSEAILREDNKIYEIMVLAPSKKPVAWTKQEIFFGPCLLKDQSAIFKSKWRHEANTWQNIIQTISNNQPVSPENQAKIRE-LEHKIALVEDVLK
3KU1 Chain:C ((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) -129773 for 1713 contacts (-75.8/contact) +
2D Compatibility (PS) -22321 + (NN) -1006 + (LL) 1184
1D Compatibility (HY) -18800 + (ID) 4900
Total energy: -175616.0 ( -102.52 by residue)
QMean score : 0.508
(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
: