Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
3N2E Chain:A ((1-162))
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKERAKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
General information:
TITO was launched using:
RESULT:
Template:
3N2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90525 for 1220 contacts (-74.2/contact) +
2D Compatibility (PS) -17522 + (NN) -6393 + (LL) 0
1D Compatibility (HY) -24400 + (ID) 7950
Total energy: -146790.0 ( -120.32 by residue)
QMean score : 0.647
(partial model without unconserved sides chains):
PDB file :
Tito_3N2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N2E-query.scw
PDB file :
Tito_Scwrl_3N2E.pdb
: