Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVN-DKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
2GPY Chain:A ((5-214))
-EERLKHYLEKQIPARDQYIEQMEREAHEQQVPIMDLLGMESLLHLLKMAAPARILEIGTAIGYSAIRMAQALPEATIVSIERDERRYEEAHKHVKALGLESRIELLFGDALQLGEKLELYPLFDVLFIDAAKGQYRRFFDMYSPMVRPGGLILSDNVLF--------------------------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) -112888 for 1421 contacts (-79.4/contact) +
2D Compatibility (PS) -20268 + (NN) -7554 + (LL) 2112
1D Compatibility (HY) -18800 + (ID) 3250
Total energy: -160648.0 ( -113.05 by residue)
QMean score : 0.614
(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
: