Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNQRQERIIDIIKQFQPITGELIAEKLGVTRAALRSDLAVLSMLGIIDAKPKVGYFYLGQYHASIGTSHFEKMTVSEIMGI-PLTVHQKDSVYDVIVHIFMEDAGCAFILDDDDFLCGVVSRKDLLKTSIGGGDLSKMPIGMVMTRMPHVTTVLENESLFAAADKLVSRKVDSLPVVRHDKQYPEKFKVIGKLSKTILASLFLEIRDY
1PBJ Chain:A ((2-121))
---------------------------------------------------------------------------RVEDVMVTDVDTIDITASLEDVLRNYVENAKGSSVVVK-EGVRVGIVTTWDVLEAIAEGDDLAEVKVWEVMER--DLVTISPRATIKEAAEKMVKNVVWRLLVEE-DD------EIIGVISATDILRAKM-----
General information:
TITO was launched using:
RESULT:
Template:
1PBJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73560 for 891 contacts (-82.6/contact) +
2D Compatibility (PS) -12687 + (NN) -2616 + (LL) 7180
1D Compatibility (HY) -8400 + (ID) 1500
Total energy: -91583.0 ( -102.79 by residue)
QMean score : 0.481
(partial model without unconserved sides chains):
PDB file :
Tito_1PBJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PBJ-query.scw
PDB file :
Tito_Scwrl_1PBJ.pdb
: