Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVT---RKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVP--DLLAMF----EKVRGEKLADDALLLG-------------------------------------------------------------------------------------------- |
1OXS Chain:C ((1-352)) | MVRIIVKNVSKVFKKG---KVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVFQTWALYP--NLTAFENIAFPLT------NMKMSKEEIRKRVEEVAKILDI--HHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKG--KLVQVGKPEDLYDNPVSIQVASLIGEINELEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1OXS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123588 for 1959 contacts (-63.1/contact) +
2D Compatibility (PS) -26938 + (NN) -8043 + (LL) 420
1D Compatibility (HY) -10800 + (ID) 3200
Total energy: -172149.0 ( -87.88 by residue)
QMean score : 0.440
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