Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAES------DDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
3NTV Chain:A ((21-231))
-------MDDLNKKYLIDLHQHQNSSIEVLREFAEVNEVP--IVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISD-DIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNID-----DGLAISIKG
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) -136302 for 1621 contacts (-84.1/contact) +
2D Compatibility (PS) -22469 + (NN) -12722 + (LL) 408
1D Compatibility (HY) -10400 + (ID) 1950
Total energy: -183435.0 ( -113.16 by residue)
QMean score : 0.521
(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
: