Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNGLNIDQWVMARDRYRLNRLRKDKKANTAEIEKLFEQSNAKVRQRFERLPKITLNQDLPVTQYADRLIEAIQKHQVIIVAGETGSGKTTQLPQIAML--AGRGLTGMIGHTQPRRLAARSVSQRIAEEVGEKLGESIGFKIRFNEQGSQDSIVRLMTDGILLAELGNDRFVSKYDTIIIDEAHERSLNIDFIMGYLKQLLPKRPDLKVIVTSATLDVNRFSNYFNNAPIFEVEGRSYPVEVRYRPISEMNIGGSDDDEFD-DFEENLPRAVVQAVEECFADAEEKGHPEHADILIFSSTEQEIR--------ELQETLQKYGPRHTEILPLYARLAVSEQQKIFSPSGK------GRRIIIATNVAETALTVPNIRYVIDSGFARISRYNYRSRVQRLPIEAISQAAANQRKGRCGRVAPGVCIRLYSEEDFLSR-PEFTEPEIKRTNLASVILQMQTLGLGELENFDFIEPPDFRLVNDGRKLLIELGALNEKKNELTKVGQMMARMPIDPRLARMIVGGAHFGVLKEILVVVSALAVQDPRERPADKQMQADQKHALFKEADSDFLFYLKLWDTLNPKGEAGMSENKRRQFAKQHFLSWLRLREWKQIHQQLVELAEGLKLSFN----EKPANYENLHRALLTGLLSFIANKTDERNTFMAVRQQKAKVFPASTLHKTNTAWVMAFEMVETSQVYLRTLAKIDPEWILLAARDLLKYHYFEPHWSKKAGIVNAYAQISLFGLIIEPKRLVNFEKVDQPAAHEIFLRDALTTGNLGTVPPFLKHNLLKLEEVERVEDKLRRRDLVVDEETIYQFYESKIPEEIASRRSFEDWRATVEAKNPRYLYVEDDALWLNDRPTTQQFPDHLHNGQLRLATTYRFDPSHDEDGATVQIPVQALPQVDENIWSWGIPGWRLDLIEALLKALPKDKRRNLVPIPDTARKLMQGIDAVHLRQHIFSYLAFALRGEQITDKDFSFERIDPYLVPFIKVIDEKGKLIAKGRDLAELKARCRVETHRPVKQQKGEFKTFPENFTFEASQKVTGVVVKQYQALVPTKNFAELEAKDESGVVIQTFNDQAEAIKQHREGIIRLVHMQLGDLVRQLKKQISKPLALAYSPLGDKAKLEQMLVYATLQMAITTLPINADEFNKLLDQVKKQFLSYGQQALEQLGDIYIQWQQIRRQLLVLDPDVFGRSIDDIEDQLDLMSLGNFVYCQPVDLWQEYPRYLKALLLRLDRLPNNLQRDHAAIDDVDPWMDKVFKFKNDPRIKELYLMLEELRISLFSQPMKTKMPISPTRLQKLWDRLGIS 5JPT Chain:B ((87-719)) -----------------------------------------------------LKIRRELPVHAQRDEFLKLYQNNQIMVFVGETGSGKTTQIPQFVLFDEMPHLENTQVACTQPRRVAAMSVAQRVAEEMDVKLGEEVGYSIRFENKTSNKTILKYMTDGMLLREAMEDHDLSRYSCIILDEAHERTLATDILMGLLKQVVKRRPDLKIIIMSATLDAEKFQRYFNDAPLLAVPGRTYPVELYYTP------------EFQRDYLDSAIRTVLQ-----IHATEEAG-----DILLFLTGEDEIEDAVRKISLEGDQLVREEGCGPLSVYPLYGSLPPHQQQRIFEPAPESHNGRPGRKVVISTNIAETSLTIDGIVYVVDPGFSKQKVYNPRIRVESLLVSPISKASAQQRAGRAGRTRPGKCFRLYTEEAFQKELIEQSYPEILRSNLSSTVLELKKLGIDDLVHFDFMDPPAPETMMRALEELNYLACLDDEGN-LTPLGRLASQFPLDPMLAVMLIGSFEFQCSQEILTIVAMLSVPNVFIRPTKDKKRADDAKNIFAHPDGDHITLLNVYHAFK-SDEA--YEYGIHKWCRDHYLNYRSLSAADNIRSQLERLMNRYNLELNTTDYESPKYFDNIRKALASGFFMQVAKKR----GYITVKDNQDVLIHPSTVLGHDAEWVIYNEFVLTSKNYIRTVTSVRPEWLI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5JPT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3239 30540 9.43 50.31 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 9.43 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_5JPT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JPT-query.scw PDB file : Tito_Scwrl_5JPT.pdb: