Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIMDKSIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQR-------
3WG9 Chain:A ((4-217))
---KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFG-----GYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDIN-PRLFGLKI-RDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRLNEEELFKKLKG
General information:
TITO was launched using:
RESULT:
Template:
3WG9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149188 for 1415 contacts (-105.4/contact) +
2D Compatibility (PS) -22547 + (NN) -10826 + (LL) 1004
1D Compatibility (HY) -18400 + (ID) 3100
Total energy: -203057.0 ( -143.50 by residue)
QMean score : 0.678
(partial model without unconserved sides chains):
PDB file :
Tito_3WG9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WG9-query.scw
PDB file :
Tito_Scwrl_3WG9.pdb
: