Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKKTQALIEQYSK--SLVEVAIEHKIVEKIQQEVAALIDIFETSELE---GVLSSLAVSHDEKQHFVKTLQT----SCSTYLVNFLEVIVQNEREALLYPILKSVDQELIKVNGQYPIQITTAVALSPEQKERLFDIAKTKLALPNGQLVEHIDPSIVGGFVVNANNKVIDASVRNQLHQFKMKLK
3PVI Chain:A ((2-157))
SHPDLNKLLELWPHIQEYQDLALKHGINDIFQGNGGKLLQVLLITGLTVLPGREGNDAVDNAGQEYELKSINIDLTKGFSTHHHMNPVIIAKYRQVPWIFAIYRG-------------IAIEAIYRLEPKDLEFYYDKWERKWYSDGHKDIN--NPKIPVKYVMEHGTKIY----------------
General information:
TITO was launched using:
RESULT:
Template:
3PVI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64630 for 926 contacts (-69.8/contact) +
2D Compatibility (PS) -15511 + (NN) -2070 + (LL) 2464
1D Compatibility (HY) -8000 + (ID) 1350
Total energy: -89097.0 ( -96.22 by residue)
QMean score : 0.393
(partial model without unconserved sides chains):
PDB file :
Tito_3PVI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PVI-query.scw
PDB file :
Tito_Scwrl_3PVI.pdb
: