Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVDTYTETTKIDKLLKKPTSHFQLSTTQLYNKILDNN-----EGVLTELGAVNASTGKYTGRSPKDKFFVSEPSYRDNIDWGEI------NQPIDEETFLKLYHKVLDYLDKKDELYVFKGYAGSDKDTMLKLTVINELAWHNLFAKNMFIRPESKEEATKIKPNFTIVSA-----PHFKADPEVDGTKSETFVIISFKHKVILIGGTEYAGEMKKGIFSVMNYLLPMQDIMSMHCSANVGEKGDVALFFGLSGTGKTTLSADPHRKLIGDDEHGWNKNGVFNIEGGCYAKAINLSKEKEPQIFDAIKYGAILENTVVAEDGSVDFEDNRYTENTRAAYPINHIDNIVVP-SKAAHPNTIIFLTADAFGVIPPISKLNKDQAMYHFLSGFTSKLAGTERGVTEPEPSFSTCFGAPFFPLHPTVYADLLGELIDLHDVDVYLVNTGWTGGKYGVGRRISLHYTRQMVNQAISGKLKNAEYTKDSTFGLSIPVEIEDVPKTILNPINAWSDKEKYKAQAEDLIQRFEKNFEKFGEKVEHIAEKGSFNK |
1AQ2 Chain:A ((32-524)) | -----------------------------LYQEELDPSLTGYERGVLTNLGAVAVDTGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHLKGLVTRQLSGK-RLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRP-SDEELAGFKPDFIVMNGAKCTNPQWKEQ----GLNSENFVAFNLTERMQLIGGTWYGGEMKKGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLSGTGKTTLSTDPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIRRDALLENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHATKVIFLTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGT---ITEPTPTFSACFGAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWN----GTGKRISIKDTRAIIDAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQWQEKAETLAKLFIDNFDKY--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1AQ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210453 for 4090 contacts (-51.5/contact) +
2D Compatibility (PS) -51451 + (NN) -25746 + (LL) 2708
1D Compatibility (HY) -43200 + (ID) 13000
Total energy: -341142.0 ( -83.41 by residue)
QMean score : 0.579
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