Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNQRQERIIDIIKQFQPITGELIAEKLGVTRAALRSDLAVLSMLGIIDAKPKVGYFYLGQYHASIGTSHFEKMTVSEIMGI-PLTVHQKDSVYDVIVHIFMEDAGCAFILDDDDFLCGVVSRKDLLKTSIGGGDLSKMPIGMVMTRMPHVTTVLENESLFAAADKLVSRKVDSLPVVRHDKQYPEKFKVIGKLSKTILASLFLEIRDY
3KPB Chain:A ((3-119))
----------------------------------------------------------------------------VKDILSKPPITAHSNISIMEAAKILIKHNINHLPIVDEHGKLVGIITSWDIAKALAQN----KKTIEEIMTR--NVITAHEDEPVDHVAIKMSKYNISGVPVVDDYR------RVVGIVTSEDISRLFG-----
General information:
TITO was launched using:
RESULT:
Template:
3KPB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80199 for 842 contacts (-95.2/contact) +
2D Compatibility (PS) -12245 + (NN) -1728 + (LL) 7164
1D Compatibility (HY) -4800 + (ID) 1500
Total energy: -93308.0 ( -110.82 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3KPB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KPB-query.scw
PDB file :
Tito_Scwrl_3KPB.pdb
: