Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MYKMTRRSTMLETYLEK--SIFRQVYICEQLHEKGTIQIREIADQLNVCP--LTVTNDLECITDILHQQIISVEKSRSSFTVAFDSSFSRLALTQLIYQRSDFFNVLGHYLSGE--HNWSNIADTTFISLSKVYNLRNELINFFKQMQYLNADGHFEIPEKDYRSLLLTIIY-ETNRTELIQLNKSIIQSGQQLIDYVEKHFFSRSYPTVEKQFILLGIAIGL---------QRSKTNPIYFSQEEKRVARHTPLFQLIQK--------GLEQLSFSLCHDEDECLYIYFLFNSRNYLCDNFELLQKDLN--VVYQNHVADNPLVIELSQKLILSLNISEENQILFDKALLPFI-RSLWADIQIFQPDKTYLLNEEQRALYLEVHEIL--EQWRKQNNLFLRWNENSIRKL------TISLSLLNEHKRKSPIEVFIVAPSDF---RYLYYRQQLEDILGEHFSISNIICKQLREIVDDTFFCTQRIILCD---SSLYQEGLGSEKTIIYPITF--QTIHTVIDQLNKQI- 3DJL Chain:A ((3-540)) WQTHTVFNQPIPLNNSNLYLSDGALCEAVTREGAGWDSDFLASIGQQLGTAESLELGRLANVNPPELLRYDAQGRRLDDVRFH----PAWHLLMQALCTNRVHNLAWEEDARSGAFVARAARFMLHAQVEAGSLCPITMTFAATPLLLQMLPAPFQDWTTPLLSDRYDSHLLPGGQKRGLLIGMGMTEKQGGSDVMSNTTRAERLEDGSYRLVGHKWFFSVPQSDAHLVLAQTAGGLSCFFVPRFLPDGQRNAIRLERLKDKLGNRSNASCEVEFQDAIGWLLGLEGEGIRLILKMGGMTRFDCALGSHAMMRRAFSLAIYHAHQRHVFGNPLIQQPLMRHVLSRMALQLEGQTALLFRLARAWDRRADAKEALWARLFTPAAKFVICKRGMPFVAEAMEVLGGIGYCEESELPRLYREMPVNSIWEGSGNIMCLDVLRVLNKQAGVYDLLSEAFVEVKGQDRYFDRAVRRLQQQ---LRKPAEELGREITHQLFLLGCGAQMLKYASPPMAQAWCQVMLDTRGGVRLSEQIQNDLLLRATGGVC

General information: TITO was launched using: RESULT: Template: 3DJL.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 : 2550 -60464 -23.71 -125.97 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -23.71 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.212

(partial model without unconserved sides chains): PDB file : Tito_3DJL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DJL-query.scw PDB file : Tito_Scwrl_3DJL.pdb: