Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MNIQIVTVGKLK--EKYLVQGIAEYLKRLSAYAKVTIVEVPDEKAPEVLSDAEMKQVKDKEGARILAKIPDDAYVIALAIDGKMKSSEEFAADLDK------LATYGKSKVTFVIGGSLGLSEAVLKRS------NERISFGRLTL---PHQLMRLVLVEQVYRAFRIVRG-EPYHK
4LEU Chain:A ((71-252))
KLIGKEALFVILGLKRLKEDDEKLDKFIKTHVFRLLKLDMLAVIGELERQEETALAIKMFEVIQKQEWYQPDVFMYKDL-IVSLAKSKRMDEAMALWEKMKKENLFPDSQTYTEVIRGFLRDGCPADAMNVYEDMLKSPDPPEELPFRVLLKGLLPHPLLRNKVKKDFEELFPEKHAYDPPEE
General information:
TITO was launched using:
RESULT:
Template:
4LEU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -14905 for 1176 contacts (-12.7/contact) +
2D Compatibility (PS) -17018 + (NN) -6849 + (LL) 92
1D Compatibility (HY) -5600 + (ID) 1400
Total energy: -45680.0 ( -38.84 by residue)
QMean score : 0.314
(partial model without unconserved sides chains):
PDB file :
Tito_4LEU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LEU-query.scw
PDB file :
Tito_Scwrl_4LEU.pdb
: