Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQSYSKNANHNMRRPVVKEEIVQYMRQHQKQNNGCLAELEAFAKQENIPIIPHETATYFRFLMQTLQPKHILEIGTAIGFSALLMAENAPE-AKITTIDRNEEMIVLAKENFAKYDNHNQITLLEGDAVDVLQTLDK------SYDFVFMDSAKSKYIVFLPQVLKHLDVGGVVVLDDIFQGGDIAKPIDEVRRGQRTIYRGLQRLFDSTLR-HPDLTATLVPLGDGLLMIRKNAEHIVLED
1SUS Chain:A ((59-245))
-----------------------------------------------NIMTTSADEGQFLSMLLKLINAKNTMEIGVYTGYSLLATALAIPEDGKILAMDINKENYELGLPVIKKAGVDHKIDFREGPALPVLDEMIKDEKNHGSYDFIFVDADKDNYLNYHKRLIDLVKVGGVIGYDNTLWNGSVVAPPDAPLRKYVRYYRDFVLELNKALAVDPRIEICMLPVGDGITICRRIK-------
General information:
TITO was launched using:
RESULT:
Template:
1SUS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129625 for 1405 contacts (-92.3/contact) +
2D Compatibility (PS) -19911 + (NN) -13911 + (LL) 4796
1D Compatibility (HY) -13200 + (ID) 2650
Total energy: -174501.0 ( -124.20 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_1SUS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SUS-query.scw
PDB file :
Tito_Scwrl_1SUS.pdb
: