Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKTHLFDLDGKIAFVSGASRGIGEAIAKLLAQQGAHVIVSSRKIDGCQAVADAITAEGGKATAIACHIGEMEQIQNVFAQIREQFGRLDILVNNAA----------TNPQFCNVLETDLGAFQKTVDVNIRGYYFMSIEGGKLMKEHGGGSIINVASINGVSPGEFQGIYSVTKAAVISMTKVFAKECAQFGIRCNALLPGLTDTKFASALVKNDAIRNLALQRIPLKRVAEPSEMAGAVLYLASEASSYTTGVALNVDGGFLS
4WK6 Chain:B ((6-248))
----QFMNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYL---GDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRG----------MMKKR-QGRIINVASVVGTM----QANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKAL--NDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMY-
General information:
TITO was launched using:
RESULT:
Template:
4WK6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -175101 for 1920 contacts (-91.2/contact) +
2D Compatibility (PS) -24749 + (NN) -7342 + (LL) 1304
1D Compatibility (HY) -17200 + (ID) 4750
Total energy: -227838.0 ( -118.67 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_4WK6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WK6-query.scw
PDB file :
Tito_Scwrl_4WK6.pdb
: