Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNQRQERIIDIIKQFQPITGELIAEKLGVTRAALRSDLAVLSMLGIIDAKPKVGYFYLGQYHASIGTSHFEKMTVSEIMGIPLTVHQKDSVYDVIVHIFMEDAGCAFILDDDDFLCGVVSRKDLLKTSIGGGDLSKMPIGMVMTRMPHVTTVLENESLFAAADKLVSRKVDSLPVVRHDKQYPEKFKVIGKLSKTILASLFLEIRDY
3KPB Chain:A ((11-99))
-----------------------------------------------------------------------------------PITAHSNISIMEAAKILIKHNINHLPIVDEHGKLVGIITSWDIAKALAQ----NKKTIEEIMTR--NVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDISRLFG-----------
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) -51814 for 578 contacts (-89.6/contact) +
2D Compatibility (PS) -9531 + (NN) -3855 + (LL) 7504
1D Compatibility (HY) -2400 + (ID) 1200
Total energy: -61296.0 ( -106.05 by residue)
QMean score : 0.397
(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
: