Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKP-MNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGH-FAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
1PK9 Chain:C ((1-232))
--ATPHINAEMGD--FADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSK-VNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALESV
General information:
TITO was launched using:
RESULT:
Template:
1PK9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159651 for 2027 contacts (-78.8/contact) +
2D Compatibility (PS) -24730 + (NN) -7950 + (LL) 660
1D Compatibility (HY) -25600 + (ID) 6000
Total energy: -223271.0 ( -110.15 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_1PK9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PK9-query.scw
PDB file :
Tito_Scwrl_1PK9.pdb
: