Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLECENLSCIHNDKVLFKNLSFKAKPKSKVLITGPNGSGKTSLIRSLSGLLPPASGNIRYCKKDIYDDLKSYIP------SMVYIGHKNACKDSLTVAQNIEF-WAGIRNTKELIIAAI----CCLQLQPVFNIKYGELSAGWKRRVALARLLVSDASVWLVDEPFCNLDSATCELVLNLI-SVRSEQNGIVIITGHSSTEQLCSFTTIDVCNFNSYS
1OXX Chain:K ((36-203))
-------------------------------ILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVF--QTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGAQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLV
General information:
TITO was launched using:
RESULT:
Template:
1OXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101891 for 1096 contacts (-93.0/contact) +
2D Compatibility (PS) -16661 + (NN) -10228 + (LL) 2324
1D Compatibility (HY) -10000 + (ID) 2650
Total energy: -139106.0 ( -126.92 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_1OXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1OXX-query.scw
PDB file :
Tito_Scwrl_1OXX.pdb
: