Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MQA----TLDWLAGLARQHPEVFGGHPGEMAVLEASRSSSHESRVYGSGGALVHVKFFRRTLGRTSVTYDPCR--EMKAEYDTLREFEKNGFASGRHRVVRTLGINESLDCALATAYVPGDTLLSIIQRTLKGGDDGELLEALGLAAGFLRKVHGLMPQSPKVDAAETFYSYM-----KPLFYLEEQGALDGFHRRVTKGLSRWYGHRPLFEQRGVTVHGDANPSNFKIHEGVIYGLDLERSRPGRSP--LLDVGTMVAELEHHCAYVAGDAGRAKPYVERFLRAYAPSPADRKKIDELLPFYVSRGLLKIAMLGYWKHGYRRSLVEAGARRIEEGP 1TQI Chain:A ((1-282)) MNIAELYGKMGKHSWRIMDAIFKNLWDYEYV----PLQ---LISSHARIGEEKARNILKYLSDLRVVQN----RQKDYEGSTFTFIGLSLYSLHRLVRSGKVD---AIGKLMGEGKESAVFNCYSEKFGECVVKFHKVKVKEHFSVLAIRSARNEFRALQKLQG--LAVPKVYAWEGNAVLMELIDAKELYRVRVENP-DEVLDMILEEVAKFY-------HRGI-VHGDLSQYNVLVSEEGIWIIDFPQSVEVGEEGWREILERDVRNIITYFSRTYRTEKDINSAIDRILQE----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1TQI.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 : 1214 20985 17.29 84.96 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 17.29 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_1TQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1tqi-query.scw PDB file : Tito_Scwrl_1TQI.pdb: