Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGPTDTSTQPQGFSMTRLRLIGSAVLLSLSSMAMADSASQAEQFLKLVHADKLTVPVYAQVQQMLAQRFAQAKAPESKKAVLERYQAKANAELDRAIGWDKIKPELIKLYTTNFTESELKDLNAFYQSPLGKKVLEKMPRLTAESAQLTQAKLQGAVEPVNKLMADMDKELGVAAPAQKKK
3OAO Chain:A ((3-140))
-------------------------------------SASQAEQFLKLVHADKLTVPVYAQVQQMLAQRFAQAKAPESKKAVLERYQAKANAELDRAIGWDKIKPELIKLYTTNFTESELKDLNAFYQSPLGKKVLEKMPRLTAESAQLTQAKLQGAVEPVNKLMADMDKELGVA-------
General information:
TITO was launched using:
RESULT:
Template:
3OAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -21418 for 743 contacts (-28.8/contact) +
2D Compatibility (PS) -15241 + (NN) -9522 + (LL) 2636
1D Compatibility (HY) -16800 + (ID) 6900
Total energy: -67245.0 ( -90.50 by residue)
QMean score : 0.727
(partial model without unconserved sides chains):
PDB file :
Tito_3OAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OAO-query.scw
PDB file :
Tito_Scwrl_3OAO.pdb
: