Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLQQTLYQFFGFTSFKKGQQDIIESILSGKDTIAMLPTGGGKSLCYQLPGYMLDGMVLIVSPLLSLMEDQVQQLKA--------RGEKR-AAALNSMLNRQERQFVLEHIHRYKFLYLSPEAL-QSPYVLEKLKSVP----ISLFVIDEAHCISEWGHDFRPDYSKLGQLRKKLGHPPVLALTATATKETLQDVMNLLELQHAVRHLNSVNRPNIALRV------ENAADTAEKIDRVIQLVENLQGPGIVYCPTRKWAKELAGEIKSKTSSRADFYHGGLESGDRILIQQQFIH-NQLDVICCTNAFGMGVDKPDIRYVIHFHLPQTAEAFMQEIGRAGRDGKPSVSILLRAPGDFELQEQIIQMESVTAEEIADVIRVLEKTEERDERRLRDVLLQYGVGETQARMMIHLFMQGKTSVELMKKEISYRMELKLEKMHRVSFLLQRDGCLRQALLTYFDESYEPDDGNLPCCSHCGFDLSLYEQKGERSKMAPLDSWSSELHRIFSLQTVGELN 4O3M Chain:A ((15-399)) --EMMKIFHKKFGLHNFRTNQLEAINAALLGEDCFILMPTGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGDKTDSEATNIYLQLSKKDPII------KLLYVTPEKICASNRLISTLENLYERKLLARFVIDEAH---------RQDYKRMNMLRQKFPSVPVMALTATANPRVQKDILTQLKILRPQVFSMSFNRHNLKYYVLPKKPKKVAFDCLEWIRK-----HHPYDSGIIYCLSRRECDTMADTLQ-RDGLAALAYHAGLSDSARDEVQQKWINQDGCQVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCLLFYTYHDVTRLKRLIMME----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4O3M.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 : 1568 -11480 -7.32 -35.32 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -7.32 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4O3M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O3M-query.scw PDB file : Tito_Scwrl_4O3M.pdb: