Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
3NTV Chain:A ((21-231))
MDDLNKKYLIDLHQHQNSSIEVLREFAEVNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKG-
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) -130202 for 1667 contacts (-78.1/contact) +
2D Compatibility (PS) -22960 + (NN) -8429 + (LL) 104
1D Compatibility (HY) -32800 + (ID) 10450
Total energy: -204737.0 ( -122.82 by residue)
QMean score : 0.629
(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
: