Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIAIFASGSGSNFQALVDDEFIK---PYVKLLVCDKPNAYVLERANKHDIPVFLFEAKNYPDKEAFETEILLELRRLEIDLLVLAGYMRLIGPTLLAEFPEQIVNLHPSLLPEFKGKDAIGQAIQANVSGTGVTAHFVDAGMDTGPIIDQVKVTIETAETTDTLAEKIHQVEHIFYPKVIRGLIQNGGND
3AV3 Chain:A ((2-187))
KRLAVFASGSGTNFQAIVDAAKRGDLPARVALLVCDRPGAKVIERAARENVPAFVFSPKDYPSKAAFESEILRELKGRQIDWIALAGYMRLIGPTLLSAYEGKIVNIHPSLLPAFPGKDAIGQAYRAGVSETGVTVHYVDEG-DTGPVIAQRVVPIVPGEPIEALEERIHQVEHELYPTVLRMLLG-----
General information:
TITO was launched using:
RESULT:
Template:
3AV3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115798 for 1433 contacts (-80.8/contact) +
2D Compatibility (PS) -19802 + (NN) -11019 + (LL) -176
1D Compatibility (HY) -7600 + (ID) 3550
Total energy: -157945.0 ( -110.22 by residue)
QMean score : 0.422
(partial model without unconserved sides chains):
PDB file :
Tito_3AV3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AV3-query.scw
PDB file :
Tito_Scwrl_3AV3.pdb
: