Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLMQVQNLSKCYR--NGDGVEHLSFSIQRGEIVALLGPNGAGKTTTIRCLTGLYKPDKGDILIEGSPPGD-----I-NVQKKVALIPDQPYLYPALTAAEHIQFRARGYHPGKKDVKERVYHALKEVHLEEKANQLCGQLSRGQKQRVVLAGAIVQDALLYILDEPTVGLDIPSKQWLSNWLKTKTD-QGCSAFVSTHSLEFVIETADRVILIRDGKLMQDLYVPQFEEQAEWRKEVIRLLGEWSDE
1OXX Chain:K ((1-226))
MVRIIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGAQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPE----------------------
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) -103489 for 1772 contacts (-58.4/contact) +
2D Compatibility (PS) -23407 + (NN) -10405 + (LL) 2188
1D Compatibility (HY) -14800 + (ID) 3350
Total energy: -153263.0 ( -86.49 by residue)
QMean score : 0.397
(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
: