Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEEQLSKRLEKVASYITKNERIADIGSDHAYLPCFAVKNQTASFAIAGEVVDGPFQSAQKQVRSSGLTEHIDVRKGNGLAVIEKKDVIDTIVIAGMGGALIRTILEEGAAKLAGVTKLILQPNIAAWQLREWSEQNNWLITSEAILREDNKIYEIMVLAPSKKPVAWTKQEIFFGPCLLKDQSAIFKSKWRHEANTWQNIIQTISNNQPVSPENQAKIRELEHKIALVEDVLK
3KR9 Chain:A ((1-221))
----MISKRLELVASFVSQGAILLDVGSDHAYLPIELVERGQIKSAIAGEVVEGPYQSAVKNVEAHGLKEKIQVRLANGLAAFEETDQVSVITIAGMGGRLIARILEEGLGKLANVERLILQPNNREDDLRIWLQDHGFQIVAESILEEAGKFYEILVVEAGQM--KLSASDVRFGPFLSKEVSPVFVQKWQKEAEKLEFALGQIPEKNLE------ERQVLVDKIQAIKEVL-
General information:
TITO was launched using:
RESULT:
Template:
3KR9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113914 for 1788 contacts (-63.7/contact) +
2D Compatibility (PS) -23402 + (NN) -239 + (LL) 572
1D Compatibility (HY) -19200 + (ID) 4900
Total energy: -161083.0 ( -90.09 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_3KR9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KR9-query.scw
PDB file :
Tito_Scwrl_3KR9.pdb
: