Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKMDTLGFLELNSISKGIEAVDTMLKAANSELIYAKASCPGKYYILIAGTVDSVAQSIEAGTKIGAANIVGNLVIPRVSDQVIKAINKTEVPDEMNAVGVMEYYSCSGSIIAADAAVKAADVQLMDIRLATGIAGKSFVVLTGDTAACETAVEAGLAAAKEEALLINKVVIPRPRKEVFESLIY
3PAC Chain:A ((5-182))
-----IGILELTSIAKGMEAGDAMLKSANVNLLVSKTICPGKFLLMLGGDVGAVQQAIATGTSLAGDMLVDSLVLPNIHASVLPAISGLNSVDKRQAVGIVETWSVAACICAADRAVKASNVTLVRVHMAFGIGGKCYMVVAGDVSDVNNAVTVASESAGEKGLLVYRSVIPRPHESMWRQMV-
General information:
TITO was launched using:
RESULT:
Template:
3PAC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146946 for 1538 contacts (-95.5/contact) +
2D Compatibility (PS) -18640 + (NN) -2666 + (LL) 548
1D Compatibility (HY) -21200 + (ID) 3550
Total energy: -192454.0 ( -125.13 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_3PAC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PAC-query.scw
PDB file :
Tito_Scwrl_3PAC.pdb
: