Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKTHLFDLDGKIAFVSGASRGIGEAIAKLLAQQGAHVIVSSRKIDGCQAVADAITAEGGKATAIACHIGEMEQIQNVFAQIREQFGRLDILVNNAA-------TNPQFCNVLETDLGAFQKTVDVNIRGYYFMSIEGGKLMKEHGGGSIINVASINGVSPGEFQGIYSVTKAAVISMTKVFAKECAQFGIRCNALLPGLTDTKFASALVKNDAIRNLALQRIPLKRVAEPSEMAGAVLYLASEASSYTTGVALNVDGGFLS
4WK6 Chain:D ((6-248))
----QFMNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYL---GDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITLLMRMKEEEWSDIMETNLTSIFRLSKAVLRG----------MMKKR-QGRIINVAS---------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) -172158 for 1859 contacts (-92.6/contact) +
2D Compatibility (PS) -24090 + (NN) -6798 + (LL) 1420
1D Compatibility (HY) -17200 + (ID) 4700
Total energy: -223526.0 ( -120.24 by residue)
QMean score : 0.543
(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
: