Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDL--VYKASDRI-ILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIF----PSLARNDKFDR----KRAKQLIKDVGLGHYQLSSEVENM-SGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
4AYW Chain:A ((373-597))
--LEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVIAHHLS--TIKNANMVAVLDQGKIT---EYGKHE
General information:
TITO was launched using:
RESULT:
Template:
4AYW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94950 for 1531 contacts (-62.0/contact) +
2D Compatibility (PS) -22169 + (NN) -3080 + (LL) 928
1D Compatibility (HY) -14400 + (ID) 3450
Total energy: -137121.0 ( -89.56 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_4AYW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AYW-query.scw
PDB file :
Tito_Scwrl_4AYW.pdb
: