Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDL--VYKASDRI-ILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIF----PSLARNDKFDR----KRAKQLIKDVGLGHYQLSSEVEN-MSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
4AYX Chain:A ((342-540))
--LEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRT-VLVIAH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4AYX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74000 for 1338 contacts (-55.3/contact) +
2D Compatibility (PS) -19595 + (NN) -1639 + (LL) 2680
1D Compatibility (HY) -14800 + (ID) 3350
Total energy: -110704.0 ( -82.74 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_4AYX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AYX-query.scw
PDB file :
Tito_Scwrl_4AYX.pdb
: