Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQYLDLMRHVREHGTFKSDRTGTGTYSVFGHQMRFDLAAGFPLVTTKKCHLKSIVHELLWFLKGSTNIAYLKEHGVSIWDEWADENGDLGPVYGYQWRSWPAPDGRHIDQIANLMAMLKKNPDSRRLIVSAWNPALIDEMALPPCHALFQFYVADGKLSCQLYQRSADIFLGVPFNIASYALLTLMVAQVAGLQPGEFIWTGGDCHLYANHLEQADLQLTREPLPLPSMKLNPEVKDLFDFRFEDFELVGYEAHPHIKAPVAV
2BBQ Chain:B ((1-264))
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
General information:
TITO was launched using:
RESULT:
Template:
2BBQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207602 for 2059 contacts (-100.8/contact) +
2D Compatibility (PS) -28729 + (NN) -14574 + (LL) 0
1D Compatibility (HY) -32400 + (ID) 9200
Total energy: -292505.0 ( -142.06 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_2BBQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BBQ-query.scw
PDB file :
Tito_Scwrl_2BBQ.pdb
: