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
4AYT Chain:A ((342-540))
--LEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRT-VLVIAH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4AYT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72022 for 1360 contacts (-53.0/contact) +
2D Compatibility (PS) -19951 + (NN) -4316 + (LL) 2680
1D Compatibility (HY) -14800 + (ID) 3350
Total energy: -111759.0 ( -82.18 by residue)
QMean score : 0.480
(partial model without unconserved sides chains):
PDB file :
Tito_4AYT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AYT-query.scw
PDB file :
Tito_Scwrl_4AYT.pdb
: