Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELVNVSKKIQDKLILEKVSLSIGAGEFIAVVGESGSGKTTLLNVIGHLDSKDSGQVIINEMEYQTKKEVMTLKKEVLGFIFQNYLLMENETVLENLSITG-GENRKLMIEHLEEVG-------MDESY---LAKKVYQLSGGEKQRIAIVRILLKPFQLLLADEPTGNLDDKNKQKIIELFLALKKQGKTIVCVTHDPEISAKADRIIYIEGGEIR
3B5J Chain:A ((14-217))
---------KPDSPVILDNINLSIKQGEVIGIVGRAGSGKSTLTKLIQRFYIPENGQVLIDGHDLAL-ADPNWLRRQV-GVVLQDNVLL-NRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK-GRTVIIIAHRLSTVKNADRIIVMEKGKI-
General information:
TITO was launched using:
RESULT:
Template:
3B5J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105188 for 1396 contacts (-75.3/contact) +
2D Compatibility (PS) -20316 + (NN) -5159 + (LL) 1596
1D Compatibility (HY) -16000 + (ID) 3250
Total energy: -148317.0 ( -106.24 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_3B5J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B5J-query.scw
PDB file :
Tito_Scwrl_3B5J.pdb
: