Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKIVQGALDTDKLLKDYQEEACTKNFGAFCVFVGIVREEGNVQGLSFDIYEALLKTWFEKWRHQPKDLG--VVLKMAHSVGDVLIRHSSFLCVLMGANTKNALKLYEYFFKNFKRNAPIWKCYLSDNERIYAKKKDHLLKGSGLLA
2WP4 Chain:A ((12-137))
YCRLTDQPLSVDEVLAA----VSGPEQGGIVIFVGNVRD----TRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSS--------------------
General information:
TITO was launched using:
RESULT:
Template:
2WP4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102238 for 867 contacts (-117.9/contact) +
2D Compatibility (PS) -13073 + (NN) -6478 + (LL) 1728
1D Compatibility (HY) -7200 + (ID) 1200
Total energy: -128461.0 ( -148.17 by residue)
QMean score : 0.423
(partial model without unconserved sides chains):
PDB file :
Tito_2WP4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WP4-query.scw
PDB file :
Tito_Scwrl_2WP4.pdb
: