Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVN-DKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
2GPY Chain:A ((9-214))
-----KHYLEKQIPARDQYIEQMEREAHEQQVPIMDLLGMESLLHLLKMAAPARILEIGTAIGYSAIRMAQALPEATIVSIERDERRYEEAHKHVKALGLESRIELLFGDALQLGEKLELYPLFDVLFIDAAKGQYRRFFDMYSPMVRPGGLILSDNVLF--------------------------QWLLEHPQYDTRIFPVGDGIAISIKR-
General information:
TITO was launched using:
RESULT:
Template:
2GPY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113864 for 1400 contacts (-81.3/contact) +
2D Compatibility (PS) -19813 + (NN) -6603 + (LL) 2056
1D Compatibility (HY) -19200 + (ID) 3250
Total energy: -160674.0 ( -114.77 by residue)
QMean score : 0.618
(partial model without unconserved sides chains):
PDB file :
Tito_2GPY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GPY-query.scw
PDB file :
Tito_Scwrl_2GPY.pdb
: