Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNHQILQNYINSHNLPIIEKDYHKYLTFESLEEDYTYILKDGIVKQSVLSKYGTEFNLRYVTGLEITSILNTDYSQHMG----EPYNVRIE-SETAHFYKVRRSTFLKDINNDIELQGYVKDFYHNRLEKSMKKMQCMLTNGRIGAISTQLYDLSKMFGEERDNGDIYINF-VITNEELGKFCGISTG-SSVSRILKQLKDDHIIRIEKQHIIITNVEKLKDHIVF
2BGC Chain:A ((5-219))
-QAEEFKKYLETNGIKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTSISENGTIMNLQYY-KGAFVIMS----GFIDTETSVGYYNLEVISE-QATAYVIKINELKELLSKNLTHFFYVFQTLQKQVSYSLAKFNDFSINGKLGSICSQLLILTYVYGKET-PDGIKITLDNLTMQELGYSSGI-AHSSAVSRIISKLKQEKVIVYKNSCFYVQNLDYLKRYAPK
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) -100588 for 1482 contacts (-67.9/contact) +
2D Compatibility (PS) -22176 + (NN) -2914 + (LL) 248
1D Compatibility (HY) -14000 + (ID) 2450
Total energy: -141880.0 ( -95.74 by residue)
QMean score : 0.416
(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
: