Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFVNGGQLKKINQKWLIIGTGLLLFMMMLPSIILLAKMTIGLVMVLVVAIAIKIASKTISNVLEDKQADPNQLTSQTTQSRIINLAVGLVSIFTGGLSLLIIAKTGIAVICAAVVTLAIYEYAKDYKYAEDKEIGKSINDKLDEIAKNTTNFIVSGIEKLVSPQEQQV
3KNW Chain:A ((12-57))
--------------------------------------------------------------------------SEAKRQHILDSGFHLVL--RKGFVGV---GLQEILKTSGVPKGSFYHYFESKEAFGCELLKHYISDYQIRLNQLWTTETSARDKLMNYLQCWVK
General information:
TITO was launched using:
RESULT:
Template:
3KNW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33732 for 261 contacts (-129.2/contact) +
2D Compatibility (PS) -4596 + (NN) 1584 + (LL) 8124
1D Compatibility (HY) -2000 + (ID) 400
Total energy: -31020.0 ( -118.85 by residue)
QMean score : 0.269
(partial model without unconserved sides chains):
PDB file :
Tito_3KNW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KNW-query.scw
PDB file :
Tito_Scwrl_3KNW.pdb
: