Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
3NTV Chain:B ((23-231))
--DLNKKYLIDLHQHQNSSIEVLREFAEVNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKG-
General information:
TITO was launched using:
RESULT:
Template:
3NTV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135324 for 1664 contacts (-81.3/contact) +
2D Compatibility (PS) -22984 + (NN) -9092 + (LL) 236
1D Compatibility (HY) -32400 + (ID) 10400
Total energy: -209964.0 ( -126.18 by residue)
QMean score : 0.627
(partial model without unconserved sides chains):
PDB file :
Tito_3NTV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NTV-query.scw
PDB file :
Tito_Scwrl_3NTV.pdb
: