Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLVVGSGGR-EHAIAKKLLESKDVEKVFVAP-GNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQS-VVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPAKT--EGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK 2YRX Chain:A ((22-438)) MNVLVIGRGGREHAIAWKAAQSP--LVGKLYVAPGNPGI-ADVAELVHIDELDIEALVQFAKQQAIDLTIVGPEAPLASGIVDRFMAEGLRIFGPSQRAALIEGSKAFAKELMKKYGIPTADHAAFTSYEEAKAYIEQKGAPIVIKAD----GKGVTVAQTVEEALAAAKAALVDGQFGTAGSQVVIEEYLEGEEFSFMAFVNGEKVYPLAIAQDHKRAYDGDEGPNTGGMGAYSPVPQISDEMMDAAL-EAILRPAAKALAAEGRPFLGVLYAGLMATANGPKVIEFNARFGDPEAQVVLPRLKTDLVEAVLAVMDGKELELEWTD-EAVLGVVLAAKGYPGAYERGAEIRGLDRISPDALLFHAGTKRE--GGAWYTNGGRVLLLAAKGETLAKAKEKAYEQLAAIDCDGLFYRRDIGRRAI-

General information: TITO was launched using: RESULT: Template: 2YRX.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 : 2460 17865 7.26 43.79 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : 7.26 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_2YRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YRX-query.scw PDB file : Tito_Scwrl_2YRX.pdb: