Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLIWSHLFAIVSILGIWYYHVKIDHLMVILLASVLSLEMGFIAYYSRNIFIRLLASLGLLFFYPQSLGIFLSLVSLEWSTKDIWQSNHFMQYMAYLLAILFIISSALLSLKLLVNAYDISKRYQLATVIPVMLFSSFAFCLEKSGSLGLEGIILNPSAFFNGIQTNMANLDFKALSCLFLVQLLLWGILMED
3NAT Chain:A ((71-94))
----------------GLLFYNPQKSVVDDEEYLVTIPYEGKKGLRKAVLDGFIHYLKVVLDEGQSDLLDFLSDETAEVFELHWEPADFEAMIKKVAETEKEQWIAYPS-------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3NAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20256 for 107 contacts (-189.3/contact) +
2D Compatibility (PS) -2388 + (NN) 2545 + (LL) 10364
1D Compatibility (HY) -400 + (ID) 150
Total energy: -10285.0 ( -96.12 by residue)
QMean score : -0.044
(partial model without unconserved sides chains):
PDB file :
Tito_3NAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NAT-query.scw
PDB file :
Tito_Scwrl_3NAT.pdb
: