Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDIHNHILPNIDDGPTNETEMMDLLKQATTQGVTEIIVTSHHLHPRYTTPIEKVKSCLNHIESLEEVQALNLKFYYGQEIRITDQILNDIDRKVITGINDSRYLLIEFPSNEVPHYTDQLFFELQSKGFVPIIAHPERNKAISQNLDILYDLINKGALSQVTTA-----SLAGISGKKIRKLAIQMIENNLTHFIGSDAHNTEIRPFLMKDLFNDKKLRDYYEDMNG--FISNAKLVVDDKKIPKRMPQQDYKQKRWFGL
2WJE Chain:A ((5-247))
MIDIHSHIVFDVDDGPKSREESKALLAESYRQGVRTIVSTSHRRKGMFETPEEKIAENFLQVREIAKEVASDLVIAYGAEIYYTPDVLDKLEKKRIPTLNDSRYALIEFSMNTPYRDIHSALSKILMLGITPVIAHIERYDALENNEKRVRELIDMGCYTQVNSSHVLKPKLFGERYKFMKKRAQYFLEQDLVHVIASDMHNLDGRPPHMAEAY-DLVTQKYGEAKAQELFIDNPRKIVMDQLI-----------------
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) -120350 for 1956 contacts (-61.5/contact) +
2D Compatibility (PS) -25224 + (NN) -10171 + (LL) 908
1D Compatibility (HY) -10400 + (ID) 4200
Total energy: -169437.0 ( -86.62 by residue)
QMean score : 0.532
(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
: