Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLVSLIVALVFCCFLGAVELPGVYQTQEFLYM-KSSFVEFFEHNGKFYAYGISDVDGSKAKKDKLNPNPKLRNRSDKGVVFLSDLIKVGEQSYKGGKAYNFYDGKTYHVRVTQNSNGDLEFTSSYDKWGYV-GKTFTWKRLSDEEIKNLKLKRFNLDEVLKTLKDSPI
4INN Chain:A ((33-178))
-----------------TVELPGIYQTQEFLY-MKSSFVEFFEHNGKFYAYGISDVDGSKAKKDKLNPNPKLRNRSDKGVVFLSDLIKVGKRSYKGGKAYNFYDGKTYYVRVAQNSNGDLEFTSSYDK-WGYMGKTFTWKRLSDEEIKNLKLKRFNLDEVLKTIK----
General information:
TITO was launched using:
RESULT:
Template:
4INN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -17061 for 1009 contacts (-16.9/contact) +
2D Compatibility (PS) -15341 + (NN) -3278 + (LL) 2400
1D Compatibility (HY) -18400 + (ID) 6700
Total energy: -58380.0 ( -57.86 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_4INN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4INN-query.scw
PDB file :
Tito_Scwrl_4INN.pdb
: