Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEWTIIGWLLKFVKPLRGKMILAILLGIISNLSVIMISLIGTYGIIAVILQQPLNPYKWLFVMVACGVVRGLARYLEQYLNHDIAFRLLAIIRERIFATLRKLGPARLSGKKSGDLVAAITTDVEALEVFFAHTISPVFIALGTTIATVGFLASYDVGLAIILLVGQIMVGVVLPMISYKRNKKIGTAYQQAFVGLNQMVMENIASLQDIFQFKLGEERLRKLETQGEKLNRQYKKRIRQGSELQILGEWVLIGTATIILVLGSLSQLPLETVLIGTVLSLSSFGSVLALNALGTALLTTFASGKRLYALTEEKPVVLFNGQLELSDFESAELDKVSFSHDGKQPLLNELSLALPKGKWLGIGGESGSGKSTLVKLLMRYW-DPDGQVKLNNNELPKITESSLHRLEGVMEQRTFLFEDTLGNNIRLGKKDATLEEVKEAARKAAIDTWIETLPEGYETIIGGQSRNLSDGERQRIGLARLFLHDAPLLLLDEPTSNLDYINEQAILNTLRSEIQDKTVLVISHRATTLDLAEEQLFIENGALKRAAK |
5DGX Chain:A ((29-236)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GEHKVLSGVSVDIKAGQTVAFVGKSGSGKTTLTSIISRFYTQHEGEILLDGVDTRELTLENLRSHLSIVSQNVHLFDDTVYNNIAFG--EVSEEEVIDALKRANAYEFVQELSDGINTNIGNNGSKLSGGQRQRISIARALLKNAPVLIFDE----------------LESLTKSCTTIVIAHRLSTVENADKIVVMDGGRVVESGK |
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General information:
TITO was launched using:
| RESULT:
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Template: 5DGX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -77970 for 1415 contacts (-55.1/contact) +
2D Compatibility (PS) -19470 + (NN) -3585 + (LL) 31156
1D Compatibility (HY) -13600 + (ID) 3100
Total energy: -86569.0 ( -61.18 by residue)
QMean score : 0.561
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