Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNHQILQNYINSHNLPIIEKDYHKY-LTFESLE-EDYTYILKDGIVKQSVLSKYGTEFNLRYVTGLEITSILNTDYSQHMGEPYNVRIESETAHFYKVRRSTFLKDINNDIELQGYVKDFYHNRLEKSMKKMQCMLTNGRIGAISTQLYDLSKMFGEERDNGDIYINFVITNEELGKFCGISTGSSVSRILKQLKDDHIIRIEKQHIIITNVEKLKDHIVF
2BGC Chain:A ((18-217))
----------------IKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSISENGTIMNLQYYKGAFVIMSGFIDTETSVGY-YNLEVISEQATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICSQLLILTYVYGKETPDGIKITLDNLTMQELGYSSGIAHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYLKRYAPK
General information:
TITO was launched using:
RESULT:
Template:
2BGC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72909 for 1387 contacts (-52.6/contact) +
2D Compatibility (PS) -20772 + (NN) -443 + (LL) 760
1D Compatibility (HY) -13600 + (ID) 2900
Total energy: -109864.0 ( -79.21 by residue)
QMean score : 0.399
(partial model without unconserved sides chains):
PDB file :
Tito_2BGC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BGC-query.scw
PDB file :
Tito_Scwrl_2BGC.pdb
: