Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKMDTLGFLELNSISKGIEAVDTMLKAANSELIYAKASCPGKYYILIAGTVDSVAQSIEAGTKIGAANIVGNLVIPRVSDQVIKAINKTEVPDEMNAVGVMEYYSCSGSIIAADAAVKAADVQLMDIRLATGIAGKSFVVLTGDTAACETAVEAGLAAAKEEALLINKVVIPRPRKEVFESLIY
3N79 Chain:A ((2-182))
--SQAIGILELTSIAKGMELGDAMLKSANVDLLVSKTISPGKFLLMLGGDIGAIQQAIETGTSQAGEMLVDSLVLANIHPSVLPAISGLNSVDKRQAVGIVETWSVAACISAADRAVKGSNVTLVRVHMAFGIGGKCYMVVAGDVSDVNNAVTVASESAGEKGLLVYRSVIPRPHEAMWRQMV-
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) -130981 for 1547 contacts (-84.7/contact) +
2D Compatibility (PS) -18878 + (NN) -2165 + (LL) 364
1D Compatibility (HY) -18400 + (ID) 3300
Total energy: -173360.0 ( -112.06 by residue)
QMean score : 0.602
(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
: