Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNQRQERIIDIIKQFQPITGELIAEKLGVTRAALRSDLAVLSMLGIIDAKPKVGYFYLGQYHASIGTSHFEKMTVSEIMGIPLTVHQKDSVYDVIVHIFMEDAGCAFILDDDDFLCGVVSRKDLLKTSIGGGDLSKMPIGMVMTRMPHVTTVLENESLFAAADKLVSRK-VDSLPVVRHDKQYPEKFKVIGKLSKTILASLFLEIRDY
4O9K Chain:A ((26-114))
-------------------------------------------------------------------------------------------SVRDALLEMTAKKLGMTAIVDGAGTIQGVFTDGDLRRLLEKAQDIHATPITAVMTRS---CVTVEGSLLAAEAVRIMEQKRINALPVVENGRLIGAINMHDLLRAGVL-----------
General information:
TITO was launched using:
RESULT:
Template:
4O9K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49930 for 531 contacts (-94.0/contact) +
2D Compatibility (PS) -9697 + (NN) -3947 + (LL) 8364
1D Compatibility (HY) -3600 + (ID) 1300
Total energy: -60110.0 ( -113.20 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_4O9K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4O9K-query.scw
PDB file :
Tito_Scwrl_4O9K.pdb
: