Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
3NTV Chain:A ((22-231))
-DDLNKKYLIDLHQHQNSSIEVLREFAEVNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKG-
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) -129983 for 1663 contacts (-78.2/contact) +
2D Compatibility (PS) -22937 + (NN) -8848 + (LL) 312
1D Compatibility (HY) -32400 + (ID) 10400
Total energy: -204256.0 ( -122.82 by residue)
QMean score : 0.626
(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
: