Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKILIVDDEKPISDIIKFNLTKEGYETATAFDGREALVQYAEFQPDLIILDLMLPELDGLEVAKEVRKTSHIPIIMLSAKDSEFDKVIGLEIGADDYVTKPFSNRELLARVKAHLRRTENIETAVAEESAQNASSDITIGELQILPDAFIAKKRGEEIELTHREFELLHHLATHIGQVMTREHLLETVWGYDYFGDVRTVDVTVRRLREKIEDTPGRPEYILTRRGVGYYMKSYE
1NXS Chain:A ((2-120))
-KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILD--LPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRSQ--------------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66689 for 911 contacts (-73.2/contact) +
2D Compatibility (PS) -12712 + (NN) -9242 + (LL) 9644
1D Compatibility (HY) -14000 + (ID) 4800
Total energy: -97799.0 ( -107.35 by residue)
QMean score : 0.660
(partial model without unconserved sides chains):
PDB file :
Tito_1NXS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXS-query.scw
PDB file :
Tito_Scwrl_1NXS.pdb
: