Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAK-PSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGG--VIAGWVEALQLMNAGSKWRLHVPSELAYGGQAV-GSIPPHSVLVFDVELLEIL
1BKF Chain:A ((1-106))
------------------------------------------------------------------------------------------------------GVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDKNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGVPGIIPPHATLVFDVELLKL-
General information:
TITO was launched using:
RESULT:
Template:
1BKF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61890 for 739 contacts (-83.7/contact) +
2D Compatibility (PS) -11179 + (NN) -3259 + (LL) 7204
1D Compatibility (HY) -7600 + (ID) 2350
Total energy: -79074.0 ( -107.00 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_1BKF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BKF-query.scw
PDB file :
Tito_Scwrl_1BKF.pdb
: