Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVDTYTETTKIDKLLKKPTSHFQLSTTQLYNKILDNNEGVLTELGAVNASTGKYTGRSPKDKFFVSEPSYRDNIDWGEINQPIDEETFLKLYHKVLDYLDKKDELYVFKGYAGSDKDTMLKLTVINELAWHNLFAKNMFIRPESKEEATKIKPNFTIVSAPHFKADPEVDGTKSETFVIISFKHKVILIGGTEYAGEMKKGIFSVMNYLLPMQDIMSMHCSANVGEKGDVALFFGLSGTGKTTLSADPHRKLIGDDEHGWNKNGVFNIEGGCYAKAINLSKEKEPQIFDAIKYGAILENTVVAEDGSVDFEDNRYTENTRAAYPINHIDNIVVPSKAAHPNTIIFLTADAFGVIPPISKLNKDQAMYHFLSGFTSKLAGTERGVTEPEPSFSTCFGAPFFPLHPTVYADLLGELIDLHDVDVYLVNTGWTGGKYGVGRRISLHYTRQMVNQAISGKLKNAEYTKDSTFGLSIPVEIEDVPKTILNPINAWSDKEKYKAQAEDLIQRFEKNFEKFGEKVEHIAEKGSFNK |
3VAA Chain:A ((25-46)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVRIFLTGYMGAGKTTLGKAFA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VAA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 1864 for 84 contacts (22.2/contact) +
2D Compatibility (PS) -2555 + (NN) -1276 + (LL) 29932
1D Compatibility (HY) -800 + (ID) 350
Total energy: 26815.0 ( 319.23 by residue)
QMean score : 0.073
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