Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLVEQTADRLLHLILEREYPVGAKLPNEYELAEDLDVGRSTIREAVRSLATRNILEVRQGSGTYISSKKGVSEDPLGFSLIKDTDRLTSDLFELRLLLEPRIAELVAYRITDDQLQLLEKLVGDIEDAVHAGDPKHLL-LDVEFHSMLAKYSGNIAMDSL-LPVINQSIHLINAN-YTNRQMKSDSLEAHREIIKAIREKNPVAAHDAMLMHIMSVRRSALKA--
2HS5 Chain:A ((27-233))
--TSRTTRVAGILRDAIIDGTFRPGARL-SEPDICAALDVSRNTVREAFQILIEDRLVAHELNRGVFVRVP---------------TAEDITELYICRRVVECAGVNGFDPA--TGDLSRVAEALDLADERYAVEDWTGVGTADIHFHSALASLNNSNRIDELMRSVWNEARLVFH-VMDDAHRFHGPYLTRNHEIYDALAAGNTEAAGQLLKTYLEDAEAQILGAYR
General information:
TITO was launched using:
RESULT:
Template:
2HS5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86364 for 1493 contacts (-57.8/contact) +
2D Compatibility (PS) -21997 + (NN) -11961 + (LL) 1032
1D Compatibility (HY) -6800 + (ID) 2100
Total energy: -128190.0 ( -85.86 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_2HS5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HS5-query.scw
PDB file :
Tito_Scwrl_2HS5.pdb
: