Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKP-MNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGH-FAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
3OCC Chain:F ((2-233))
--ATPHINAEMGD--FADVVLMPGDPLRAKFIAETFLQDVREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYAKELITDFGVKKIIRVGSCGAVRTDVKLRDVVIGMGACTDSK-VNRMRFKDHDYAAIADFEMTRNAVDAAKAKGVNVRVGNLFSADLFYTPDPQMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTGEQTTAAERQTTFNDMIEIALESV
General information:
TITO was launched using:
RESULT:
Template:
3OCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163954 for 2070 contacts (-79.2/contact) +
2D Compatibility (PS) -24714 + (NN) -7595 + (LL) 660
1D Compatibility (HY) -25600 + (ID) 6200
Total energy: -227403.0 ( -109.86 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_3OCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OCC-query.scw
PDB file :
Tito_Scwrl_3OCC.pdb
: