Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------------------------------------------------------------------MRDYSELEIFEGNPLDKWNDIIFHASKKLSKKELERLLELLALLETFIEKEDLEERFESFAKALRMDEELQQKIESRKTDIVIQSMANILSGNE
3MLG Chain:A ((13-181))
NPLDKWNDIIFHASKKLSKKELERLLELLALLETFIEKEDLEEKFESFAKALRIDEELQQKIESRKTDIVIQSMANILSGGNPLDKWNDIIFHASKKLSKKELERLLELLALLETFIEKEDLEEKFESFAKALRIDEELQQKIESRKTDIVIQSMANILSG--
General information:
TITO was launched using:
RESULT:
Template:
3MLG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5779 for 468 contacts (-12.3/contact) +
2D Compatibility (PS) -10341 + (NN) -8080 + (LL) 24
1D Compatibility (HY) -10800 + (ID) 3950
Total energy: -38926.0 ( -83.18 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_3MLG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MLG-query.scw
PDB file :
Tito_Scwrl_3MLG.pdb
: