Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKMDTLGFLELNSISKGIEAVDTMLKAANSELIYAKASCPGKYYILIAGTVDSVAQSIEAGTKIGAANIVGNLVIPRVSDQVIKAINKTEVPDEMNAVGVMEYYSCSGSIIAADAAVKAADVQLMDIRLATGIAGKSFVVLTGDTAACETAVEAGLAAAKEEALLINKVVIPRPRKEVFESLIY
3VCD Chain:B ((5-182))
-----IGILELTSIAAGMELGDAMLKSANVDLLVSKTISPGKFLLMLGGDIGAIQQAIETGTSQAGELLVDSLVLANIHPSVLPAISGLNSVDKRQAVGIVETWSVAACISAADRAVKGSNVTLVRVHMAFGIGGKCYMVVAGDVSDVALAVTVASSSAGAYGLLVYASLIPRPHEAMWRQMV-
General information:
TITO was launched using:
RESULT:
Template:
3VCD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135407 for 1486 contacts (-91.1/contact) +
2D Compatibility (PS) -18494 + (NN) -1303 + (LL) 548
1D Compatibility (HY) -18800 + (ID) 3150
Total energy: -176606.0 ( -118.85 by residue)
QMean score : 0.629
(partial model without unconserved sides chains):
PDB file :
Tito_3VCD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VCD-query.scw
PDB file :
Tito_Scwrl_3VCD.pdb
: