Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFLSILSILVLALLVTACGSDSSDKKSAKKEEKMETVTYIADINGAKLEATFSHVGDNLRKVDQKMVYPLTALGLESGANLDDATKKQLEEQVASQYSAYKESKGASLETKFTDEALELTMSVDLYKADKDSVASLLGGTTDP----KNVSLKETVKQFEAQGFKKKES-------
2JOE Chain:A ((1-139))
-------------------------------MGDKEESKKFSANLNGTEIAITYVYKGDKVLKQSSETKIQFASIGAT--------TKEDAAKTLEPLSAKYKNIAGVEEKLTYTDTYAQENVTIDMEKVDFKALQGISGINVSAEDAKKGITMAQMELVMKAAGFKEVKLEHHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2JOE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18169 for 873 contacts (-20.8/contact) +
2D Compatibility (PS) -13344 + (NN) -493 + (LL) 2588
1D Compatibility (HY) -1600 + (ID) 1300
Total energy: -32318.0 ( -37.02 by residue)
QMean score : 0.414
(partial model without unconserved sides chains):
PDB file :
Tito_2JOE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JOE-query.scw
PDB file :
Tito_Scwrl_2JOE.pdb
: