Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREF-AEGNEVP-IVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFASIS-DDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENV----NDKVYDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
3CBG Chain:A ((21-232))
-DPSLYSYLQSISADDSFYLAQLRRETAHLPGAPMQISPEQAQFLGLLISLTGAKQVLEIGVFRGYSALAMALQLPPDGQIIACDQDPNATAIAKKYWQKAGVAEKISLRLGPALATLEQLTQGKPLPEFDLIFIDADKRNYPRYYEIGLNLLRRGGLMVIDNVLWHGKVTEVDPQ-----EAQTQVLQQFNRDLAQDERVRISVIPLGDGMTLALKK-
General information:
TITO was launched using:
RESULT:
Template:
3CBG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112947 for 1673 contacts (-67.5/contact) +
2D Compatibility (PS) -22228 + (NN) -5798 + (LL) 596
1D Compatibility (HY) -12000 + (ID) 2550
Total energy: -154927.0 ( -92.60 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3CBG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CBG-query.scw
PDB file :
Tito_Scwrl_3CBG.pdb
: