Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKMDTLGFLELNSISKGIEAVDTMLKAANSELIYAKASCPGKYYILIAGTVDSVAQSIEAGTKIGAANIVGNLVIPRVSDQVIKAINKTEVPDEMNAVGVMEYYSCSGSIIAADAAVKAADVQLMDIRLATGIAGKSFVVLTGDTAACETAVEAGLAAAKEEALLINKVVIPRPRKEVFESLIY
3N79 Chain:A ((5-182))
-----IGILELTSIAKGMELGDAMLKSANVDLLVSKTISPGKFLLMLGGDIGAIQQAIETGTSQAGEMLVDSLVLANIHPSVLPAISGLNSVDKRQAVGIVETWSVAACISAADRAVKGSNVTLVRVHMAFGIGGKCYMVVAGDVSDVNNAVTVASESAGEKGLLVYRSVIPRPHEAMWRQMV-
General information:
TITO was launched using:
RESULT:
Template:
3N79.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137227 for 1498 contacts (-91.6/contact) +
2D Compatibility (PS) -18599 + (NN) -2432 + (LL) 548
1D Compatibility (HY) -18800 + (ID) 3300
Total energy: -179810.0 ( -120.03 by residue)
QMean score : 0.629
(partial model without unconserved sides chains):
PDB file :
Tito_3N79.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N79-query.scw
PDB file :
Tito_Scwrl_3N79.pdb
: