Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNGLNIDQWVMARDRYRLNRLRKDKKANTAEIEKLFEQSNAKVRQRFERLPKITLNQDLPVTQYADRLIEAIQKHQVIIVAGETGSGKTTQLPQIAML--AGRGLTGMIGHTQPRRLAARSVSQRIAEEVGEKLGESIGFKIRFNEQGSQDSIVRLMTDGILLAELGNDRFVSKYDTIIIDEAHERSLNIDFIMGYLKQLLPKRPDLKVIVTSATLDVNRFSNYFNNAPIFEVEGRSYPVEVRYRPISEMNIGGSDDDEFDDFEENLPRAVVQAVEECFADAEEKGHPEHADILIFSSTEQEIR--------ELQETLQKYGPRHTEILPLYARLAVSEQQKIFS-------PSGK-GRRIIIATNVAETALTVPNIRYVIDSGFARISRYNYRSRVQRLPIEAISQAAANQRKGRCGRVAPGVCIRLYSEEDFLSR-PEFTEPEIKRTNLASVILQMQTLGLGELENFDFIEPPDFRLVNDGRKLLIELGALNEKKNELTKVGQMMARMPIDPRLARMIVGGAHFGVLKEILVVVSALAVQDPRERPADKQMQADQKHALFKEADSDFLFYLKLWDTLNPKGEAGMSENKRRQFAKQHFLSWLRLREWKQIHQQLVELAEGLKLSFNEKPAN----YENLHRALLTGLLSFIA-NKTDERNTFMAVRQQKAKVFPASTLHKTNTAWVMAFEMVETSQVYLRTLAKIDPEWILLAARDLLKYHYFEPHWSKKAGIVNAYAQISLFGLIIEPKRLVNFEKVDQPAAHEIFLRDALTTGNLGTVPPFLKHNLLKLEEVERVEDKLRRRDLVVDEETIYQFYESKIPEEIASRRSFEDWRATVEAKNPRYLYVEDDALWLNDRPTTQQFPDHLHNGQLRLATTYRFDPSHDEDGATVQIPVQALPQVDENIWSWGIPGWRLDLIEALLKALPKDKRRNLVPIPDTARKLMQGIDAVHLRQHIFSYLAFALRGEQITDKDFSFERIDPYLVPFIKVIDEKGKLIAKGRDLAELKARCRVETHRPVKQQKGEFKTFPENFTFEASQKVTGVVVKQYQALVPTKNFAELEAKDESGVVIQTFNDQAEAIKQHREGIIRLVHMQLGDLVRQLKKQISKPLALAYSPLGDKAKLEQMLVYATLQMAITTLPINADEFNKLLDQVKKQFLSYGQQALEQLGDIYIQWQQIRRQLLVLDPDVFGRSIDDIEDQLDLMSLGNFVYCQPVDLWQEYPRYLKALLLRLDRLPNNLQRDHAAIDDVDPWMDKVFKFKNDPRIKELYLMLEELRISLFSQPMKTKMPISPTRLQKLWDRLGIS 5LTA Chain:A ((38-692)) -----------------------------------------------------------LPVNKQRQEFLDLYHNNQILVFVGETGSGKTTQIPQYVLYDELPHQTGKLIACTQPRRVAAMSVAQRVADELDVKLGEEVGYSIRFENKTSSKTLLKYMTDGQLLREAMHDRDMSRYSCIILDEAHERTLATDILMALLKQLSERRKDLKIIVMSATLDAQKFQSYFFNAPLLAVPGRTHPVEIFYTPEAER-----------DYVEAAIRTVLQ-IHAC--------EPE-GDILLFLTGEEEIEDACRRISLEVDEMIRESDAGPMSVYPLYGTLPPHQQQRIFEKAPQPFRPGGRPGRKCIVATNIAETSLTIDGIVYVVDPGFSKQKIYNPRTRVESLLVSPISKASAQQRAGRAGRTRPGKCFRLYTEEAFKKELIEQTYPEILRSNLSNTVLELKKLGVEDLVHFDLMDPPAPETMMRALEELNYLACLDD-DGELTPLGNLASEFPLDPALAVMLISSPEFYCSNEILSITSLLSVPQIWVRPANARKRADEMKAQFAHPDGDHLTLLNAYHAY--KGAEARGEDMKK-WCHEHFLSYRHLSSADNVRAQLKKIMETHGIELVSTPFHDKNYYTNIRRALLAGFFMQVAMRESSNSKVYKTVKDEQLVLIHPSTTVTTPYEWVVYNEFVLTTKQYVRTVTNIRPEWLLEIAPV-----YYDLSTFQKGEIKNALTRVA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LTA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3410 73489 21.55 116.46 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 21.55 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_5LTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LTA-query.scw PDB file : Tito_Scwrl_5LTA.pdb: