Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDASTSFAILPSNVKQKTAFERKVNQVKAASWTNNCLTGTLDIGQFSCYFVNEKIARVTVNPFGEVDLTPSIAAIHDNEKQAAKFTETNDCYELHFADKEVIVCKNPFQIIMKQAGKRIFQTEGLAINRDKEHQISIQSEPGTAIFGLGEKTGALNKAGSIISMWNTDVYSP-HNKDTVELYQSIPFMIADTAKTTYGLFYDNSHRTEFDFQSFEEMYT--VLAEGGQANLYIIFGEDVKEVVANYTDLTGKTPLPPKWSLGYHQSRYSYTSEEEVERIANTFKEKEIPLDCVFMDIHYMDDFRVFTFNPDTFPNGPELIARLREQNIDVVPIVDPGIKKDVDYSVYQEGIKNNYFCTKLEGSIYYGDVWPGVSAFPDFLSTTVQHWWGSLHKFYTDLGIRGIWNDMNEPSVFNESKTMD--------------------------LDVV----------HNLDGKNVTHKEAHNLYGLYMSKATFEGLKRLVPNERPFSLTRAGYAGVQRYSAVWTGDNRSHWEHLEMSLPMIMNLGLSGVAFTGADVGGFSSDCTKEMLIRWTQAGAFLPYFRNHCVQDSIYQEPWAFGADAEKI--VKQYIELRYAFLPYIYTEFQKTAESGLPLVRPLYMEFKDERDLIQVNDQFMLGENILVAPIVREGQAKRLVRLPKGLWFNYWTKEQFVGGDYI-----IADAPIDTMPIYIKAGTILPVGSSVQNTKETQELTLEVYLDSETATGYVYNDDGKSYQYESGAVSKTTLTATFKNGEVLINATHQGEANLQQKVTTIQVFGEKIDKITRAGI |
3NUK Chain:A ((53-657)) | ------------------------------------------------------------------------------------------------------------------------------------------------VYGLGESNRGINKRGYCYISNCTD--DPIHTEDKRSLYGAHNFIIV-SGKTTFGLFFDYPSKLTFDI-GYTRMDTLKVSCENADLDIYVIEGENAYDIVKQFRRVIGRSYIPPKFAFGFGQSRYGYTTKEDFRAVAKGYRENHIPIDMIYMDIDYMQDFKDFTVNEKNFPDFPEFVKEMKDQELRLIPIIDAGVKVEKGYEVYEEGVKNNYFCKREDGSDFVAAVWPGDTHFPDMLNPEARKWFGDKYRFLIDQGIEGFWNDMNEPAIFYSSEGLAEAKEFAGEFAKDTEGKIHPWAMQAKMKDIVNSPEDYKRFYHNVNGKKIRHDKVHNLFGYNMTRAAGEAFERIDPEKRFLMFSRSSYIGMHRYGGIWMGDNKSWWSHILLNLKMLPSLNMCGFMYTGADLGGFGDDTTRDLLLRFLALGVFTPLMRDHAAEGTREQECYQF----ENIEDFRSVINARYRLVPYLYSEYMKAALNDDMYFKPLGFVYPDDKMAIRVEDQLMLGNEIMIAPVYEQNARGRYVYLPEEMKFIKFMPDGSISEEVLEKGVHYVDVALNEVPLFIRSGKCIPVAEAAECVKDIDTENMQL-IGYEGSSYTLYEDDGIHKDYDK--------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NUK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -253624 for 4955 contacts (-51.2/contact) +
2D Compatibility (PS) -59817 + (NN) -23119 + (LL) 14348
1D Compatibility (HY) -53600 + (ID) 10100
Total energy: -385912.0 ( -77.88 by residue)
QMean score : 0.475
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