Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTFKGFDKDFNITDKVAVVTGAASGIGKAMAELFSEKGAYVVLLDIKEDVKDVAAKINPSRTLALQVDITKKENIEKVVAEIKKVYPKIDILANSAGVALLEKAEDLPEEYWDKTMELNLKGSFLMAQIIGREMIATG-GGKIVNMASQASVIALDKHVAYCASKAAIVSMTQVLAMEWAPYNINVNAISPTVILTELGKKAWAGQVGEDMKKLIPAGRFGYPEEVAACALFLVSDAASLITGENLIIDGGYTIK
4NPC Chain:B ((17-264))
------DLNFPLSEKVAIVTGGASGIGAAISKAFIAKGAKVAVLDISADIAKAKAEELGENAKPFVCDVSSQQSVNDAITAVISQFGKIDIAVNSAGVVYLAPAEDISLDYWDKTININLKGSFLVTQAVGRAMIAAGNGGKIINLASQAGTVAIEEHVAYCASKFGVIGMSKTFAAEWGKYGICVNTLSPTIVLTELGKKAWAGEKGEAAKKRIPAGRFAYPEEIAAAAVFLASAGADMITGADLLIDGGYTI-
General information:
TITO was launched using:
RESULT:
Template:
4NPC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155680 for 2192 contacts (-71.0/contact) +
2D Compatibility (PS) -26730 + (NN) -9067 + (LL) 480
1D Compatibility (HY) -22000 + (ID) 6450
Total energy: -219447.0 ( -100.11 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_4NPC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NPC-query.scw
PDB file :
Tito_Scwrl_4NPC.pdb
: