Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKP---VTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTER-KVGYLFQNLALFPNMNVYENIAFGL----KVKKKKKKEQAEIQQQVRKMSDYLQ-ISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
4AYT Chain:A ((362-538))
-----------------DFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLN-----PVWLRSKIGTVSQEPILF-SCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVI-----------------------------
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) -55255 for 1234 contacts (-44.8/contact) +
2D Compatibility (PS) -18151 + (NN) -6472 + (LL) 5000
1D Compatibility (HY) -13600 + (ID) 3000
Total energy: -91478.0 ( -74.13 by residue)
QMean score : 0.319
(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
: