Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDIHNHILPNIDDGPTNETEMMDLLKQATTQGVTEIIVTSHHLHPRYTTPIEKVKSCLNHIESLEEVQALNLKFYYGQEIRITDQILNDIDRKVITGINDSRYLLIEFPSNEVPHYTDQLFFELQSKGFVPIIAHPERNKAISQNLDILYDLINKGALSQVTTASLAG--ISG---KKIRKLAIQMIENNLTHFIGSDAHNTEIRPFLMKDLFNDKKLRDYYED-MN-GFISNAKLVVDDKKIPKRMPQQDYKQKRWFGL
2WJE Chain:A ((5-246))
MIDIHSHIVFDVDDGPKSREESKALLAESYRQGVRTIVSTSHRRKGMFETPEEKIAENFLQVREIAKEVASDLVIAYGAEIYYTPDVLDKLEKKRIPTLNDSRYALIEFSMNTPYRDIHSALSKILMLGITPVIAHIERYDALENNEKRVRELIDMGCYTQVNSSHVLKPKLFGERYKFMKKRAQYFLEQDLVHVIASDMHNLDGRPPHMAEAYDLVT-QKYGEAKAQELFIDNPRKIVMDQL------------------
General information:
TITO was launched using:
RESULT:
Template:
2WJE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122744 for 1985 contacts (-61.8/contact) +
2D Compatibility (PS) -25216 + (NN) -11588 + (LL) 1368
1D Compatibility (HY) -11200 + (ID) 4050
Total energy: -173430.0 ( -87.37 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_2WJE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WJE-query.scw
PDB file :
Tito_Scwrl_2WJE.pdb
: