Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLMQVQNLSKCYRNGDGV--EHLSFSIQRGEIVALLGPNGAGKTTTIRCLTGLYKPDKGDILIEGS----------PPGDINVQKKVALIPDQPYLYPALTAAEHIQFRARGYHPGKKDVKERVYHALKEVHLEEKANQLCGQLSRGQKQRVVLAGAIVQDALLYILDEPTVGLDIPSKQWLSNWLK-TKTDQGCSAFVSTHSLEFVIETADRVILIRDGKLMQ-----DLY-VPQFEEQAEWRKEVIRLLGEWSDE
1OXT Chain:A ((1-254))
MVRIIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPED----RKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEINELEGKVTNE
General information:
TITO was launched using:
RESULT:
Template:
1OXT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106159 for 1815 contacts (-58.5/contact) +
2D Compatibility (PS) -25645 + (NN) -12739 + (LL) 436
1D Compatibility (HY) -16800 + (ID) 4050
Total energy: -164957.0 ( -90.89 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_1OXT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1OXT-query.scw
PDB file :
Tito_Scwrl_1OXT.pdb
: