Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDASTSFAILPSNVKQKTAFERKVNQVKAASWTNNCLTGTLDIGQFSCYFVNEKIARVTVNPFGEV-DLTPSIAAIHDNEKQAAKFTETNDCYELHFADKEVIVCKNPFQIIM-K-QAGKRIFQTEGLAINRDKE-HQISIQSEPGTAIFGLGEKTGAL---NKAGSIISMWNTDVYSPHNKDTVELYQSIPFMIADT--AKTTYGLFYDNSHRTEFDFQSFEEMYTVLAEGGQANLYIIFGEDVKEVVANYTDLTGKTPLPPKWSLGYHQSRYSYTSEEEVERIANTFKEKEIPLDCVFMDIHYMDDFRVFTFNPDTFPNGPELIARLREQNIDVVPIVDPGIKKDV-----DYSVYQEGIKNNYFCTKLEG-SIYYGDVWPGVSAFPDFLSTTVQHWWGSLHKFY-TDLGIRGIWNDMNEPSVFNESKT---------MD------------LDVVHNL-DGKNVTHKEAHNLYGLYMSKATFEGLKRLVPNERPFSLTRAGYAGVQRYSAVWTGDNRSHWEHLEMSLPMIMNLGLSGVAFTGADVGGFSSDCTKEMLIRWTQAGAFLPYFRNHCVQDSIYQEPWAFGAD--AEKIVKQYIELRYAFLPYIYTEFQKTAESGLPLVRPLYMEFKDERDLIQVNDQFMLGENILVAPIVREGQAKRLVRLPKGLWFNYWTKEQFV-GGDYIIADAPIDTMPIYIKAGTILPVGSSVQNTKETQ--ELTLEVYLDS-ETATGYVYNDDGKSYQY-ESGAVSKTTLTATFKNGEVLINATHQGEAN--LQQKVTTIQVFGEKIDKITRAGI |
3LPP Chain:A ((113-851)) | -------------------------------------------VLFTTQNQTPNRFRFKITDPNNRRYEVPH-QYVKEF-----------TGPTVSDTLYDVKVAQNPFSIQVIRKSNGKTLFDTSIGPLVYSDQYLQISARLP-SDYIYGIGEQVHKRFRHDLSWKTWPIFTRDQLPG--DNNNNLYGHQTFFMCIEDTSGKSFGVFLMNSNAMEIFIQPT-PIVTYRVTGGILDFYILLGDTPEQVVQQYQQLVGLPAMPAYWNLGFQLSRWNYKSLDVVKEVVRRNREAGIPFDTQVTDIDYMEDKKDFTYDQVAFNGLPQFVQDLHDHGQKYVIILDPAISIGRRANGTTYATYERGNTQHVWINESDGSTPIIGEVWPGLTVYPDFTNPNCIDWWANECSIFHQEVQYDGLWIDMNEVSSFIQGSTKGCNVNKLNYPPFTPDILDKLMYSKTICMDAVQNWGKQYDVHSLYGYSMAIATEQAVQKVFPNKRSFILTRSTFAGSGRHAAHWLGDNTASWEQMEWSITGMLEFSLFGIPLVGADICGFVAETTEELCRRWMQLGAFYPFSRNHNSDGYEHQDPAFFGQNSLLVKSSRQYLTIRYTLLPFLYTLFYKAHVFGETVARPVLHEFYEDTNSWIEDTEFLWGPALLITPVLKQGADTVSAYIPDAIWYDYESGAKRPWRKQRVDMYLPADKIGLHLRGGYIIPIQEPDVTTTASRKNPLGLIVALGENNTAKGDFFWDDGETKDTIQNGNYILYTFSVSN-N-TLDIVCT-HSSYQEGTTLAFQTVKILGLT--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LPP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -256286 for 6261 contacts (-40.9/contact) +
2D Compatibility (PS) -74224 + (NN) -30188 + (LL) 4672
1D Compatibility (HY) -36800 + (ID) 9400
Total energy: -402226.0 ( -64.24 by residue)
QMean score : 0.492
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