Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
3MRS Chain:A ((1-162))
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFAMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRL-------------LTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
General information:
TITO was launched using:
RESULT:
Template:
3MRS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102752 for 1175 contacts (-87.4/contact) +
2D Compatibility (PS) -16156 + (NN) -6207 + (LL) 628
1D Compatibility (HY) -23600 + (ID) 7300
Total energy: -155387.0 ( -132.24 by residue)
QMean score : 0.642
(partial model without unconserved sides chains):
PDB file :
Tito_3MRS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MRS-query.scw
PDB file :
Tito_Scwrl_3MRS.pdb
: