Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRLQFHKKLPFHDLNIDYTFEKP---VTAMMGASGSGKSTLFQCVSGLKSIDGGIIEFDGTPWDDSNISLHLPVTER-KVGYLFQNLALFPNMNVYENIAFGL----KVKKKKKKEQAEIQQQVRKMSDYLQ-ISHLLYSSVQKLSGGEKQRVAMARAMITEPKLLLLDEPFNGLDEETRLICMKLVGQMAKDFHIPVIFVTHYASEAEMMTEEILVMREGRLEKRKS
4AYW Chain:A ((393-569))
-----------------DFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLN-----PVWLRSKIGTVSQEPILF-SCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVI-----------------------------
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) -60953 for 1168 contacts (-52.2/contact) +
2D Compatibility (PS) -17655 + (NN) -5944 + (LL) 4740
1D Compatibility (HY) -14000 + (ID) 3000
Total energy: -96812.0 ( -82.89 by residue)
QMean score : 0.337
(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
: