Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIMDKSIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTIN--DHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQR
3IKT Chain:A ((4-199))
------VPEAAISRLITYLRILEELEAQGVHRTSSEQLGELAQVTAFQVRKDLSYFGSYGT---GYTVPVLKRELRHILGLNRKWGLCIVGMGRLGSALADYPGFGES-FELRGFFDVDPEK-VGRPVRGGV----IEHVDLLPQRVPGRIEIALLTVPREAAQKAADLLVAAGIKGILNFAPVVLEVPKEVAVENVDFLAGLTRLSFAILNPK
General information:
TITO was launched using:
RESULT:
Template:
3IKT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143046 for 1383 contacts (-103.4/contact) +
2D Compatibility (PS) -20825 + (NN) -7494 + (LL) 852
1D Compatibility (HY) -18800 + (ID) 3500
Total energy: -192813.0 ( -139.42 by residue)
QMean score : 0.691
(partial model without unconserved sides chains):
PDB file :
Tito_3IKT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IKT-query.scw
PDB file :
Tito_Scwrl_3IKT.pdb
: