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 4CGZ Chain:A ((21-400)) --EMMKIFHKKFGLHNFRTNQLEAINAALLGEDCFILMPTGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGDKTDSEATNIYLQLSKKDPII------KLLYVTPEKICASNRLISTLENLYERKLLARFVIDEAHCVSQWGHDFRQDYKRMNMLRQKFPSVPVMALTATANPRVQKDILTQLKILRPQVFSMSFNRHNLKYYVLPKKPKKVAFDCLEWIRK-----HHPYDSGIIYCLSRRECDTMADTLQ-RDGLAALAYHAGLSDSARDEVQQKWINQDGCQVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCLLFYTYHDVTRLKRLIMME----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CGZ.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 : 1681 -3484 -2.07 -10.43 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -2.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_4CGZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CGZ-query.scw PDB file : Tito_Scwrl_4CGZ.pdb: