Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKYEHIAKQLNAFIHQSNFKPGDKLPNVTQLKERYQVSKSTIIKALGLLEQDGLIYQAQGSGIYVRNIADANRINVFKTNGFSKSLGEHRMTSKVLVFKEMATPPKSVQDELQLNADDTVYYLERLRFVDDDVLCIEYSYYHKEIVKYLNDDIAKGSIFDYLESNMKLRIGFSDIFFNVDKLTSSEASLLQLSTGEPCLRYHQTFYTMTGKPFDSSDIVFHYRHAQFYIPSKK
3BWG Chain:A ((8-236))
----QQIATEIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKGYISLLSNQG------DFNVTSKVIELDVRK-PTPEAAENLNIGMDEDIYYVKRVRYINGQTLCYEESYYTKSIVTYLNNEIVSHSIFHYIREGLGLKIGFSDLFLHVGQLNEEEAEYLGLEAGLPKLYIESIFHLTNGQPFDYSKISYNYEQSQFVVQANS
General information:
TITO was launched using:
RESULT:
Template:
3BWG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129604 for 1585 contacts (-81.8/contact) +
2D Compatibility (PS) -24381 + (NN) -7938 + (LL) 736
1D Compatibility (HY) -23600 + (ID) 4300
Total energy: -189087.0 ( -119.30 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3BWG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWG-query.scw
PDB file :
Tito_Scwrl_3BWG.pdb
: