Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKILIVDDEKPISDIIKFNLTKEGYETATAFDGREALVQYAEFQPDLIILDLMLPELDGLEVAKEVRKTSHIPIIMLSAKDSEFDKVIGLEIGADDYVTKPFSNRELLARVKAHLRRTENIETAVAEESAQNASSDITIGELQILPDAFIAKKRGEEIELTHREFELLHHLATHIGQVMTREHLLETVWGYDYFGDVRTVDVTVRRLREKIEDTPGRPEYILTRRGVGYYMKSYE
2A9Q Chain:A ((2-118))
-KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL-----DGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRR----------------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2A9Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68261 for 852 contacts (-80.1/contact) +
2D Compatibility (PS) -12290 + (NN) -8631 + (LL) 9940
1D Compatibility (HY) -13600 + (ID) 4700
Total energy: -97542.0 ( -114.49 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_2A9Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A9Q-query.scw
PDB file :
Tito_Scwrl_2A9Q.pdb
: