Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLVEQTADRLLHLILEREYPVGAKLPNEYELAEDLDVGRSTIREAVRSLATRNILEVRQGSGTYISSKKGVSEDPLGFSLIKDTDRLTSDLFELRLLLEPRIAELVAYRITDDQLQLLEKLVGDIEDAVH-AGDPKHLLLDVEFHSMLAKYSGNIAMDSLLPVINQSIHLINANYTN-RQMKSDSLEAHREIIKAIREKNPVAAHDAMLMHIMSVRRSALKA
2HS5 Chain:A ((27-230))
--TSRTTRVAGILRDAIIDGTFRPGARLS-EPDICAALDVSRNTVREAFQILIEDRLVAHELNRGVFVRVPT---------------AEDITELYICRRVVECAGVNGF--DPATGDLSRVAEALDLADERYAVEDWTGVGTADIHFHSALASLNNSNRIDELMRSVWNEARLVFHVMDDAHRFHGPYLTRNHEIYDALAAGNTEAAGQLLKTYLEDAEAQILGA
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) -94779 for 1513 contacts (-62.6/contact) +
2D Compatibility (PS) -21781 + (NN) -10449 + (LL) 916
1D Compatibility (HY) -6800 + (ID) 1900
Total energy: -134793.0 ( -89.09 by residue)
QMean score : 0.617
(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
: