Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLMQVQNLSKCYRN-----GDGVEHLSFSIQRGEIVALLGPNGAGKTTTIRCLTGLYKPDKGDILIEGSPPGD-----INVQKKVALIPDQP--YLYPALTAAEHIQFRARGYHPGKKDVKERVYHALKEVHLE-EKANQLCGQLSRGQKQRVVLAGAIVQDALLYILDEPTVGLDIPSKQWLSNWLKTKTD-QGCSAFVSTHSLEFVIETADRVILIRDGKLMQDLYVPQFEEQAEWRKEVIRLLGEWSDE
4MKI Chain:B ((5-233))
-MPIKVENVSFIYNEGTPYATVALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFE-ETVFKDIAFGPSNLGLSEEEVKERVYEAMEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILVSHNMEDIARIADKIIVMNRGKIELIGTPR----------------------
General information:
TITO was launched using:
RESULT:
Template:
4MKI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103581 for 1710 contacts (-60.6/contact) +
2D Compatibility (PS) -23574 + (NN) -10728 + (LL) 2540
1D Compatibility (HY) -14400 + (ID) 3700
Total energy: -153443.0 ( -89.73 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_4MKI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MKI-query.scw
PDB file :
Tito_Scwrl_4MKI.pdb
: