Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLVVGSGGREHAIAKKLLESKDVEKVFVAPGNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQSVVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPA--KTEGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK 2YRX Chain:A ((22-438)) MNVLVIGRGGREHAIAWKAAQSPLVGKLYVAPGNPGIA-DVAELVHIDELDIEALVQFAKQQAIDLTIVGPEAPLASGIVDRFMAEGLRIFGPSQRAALIEGSKAFAKELMKKYGIPTADHAAFTSYEEAKAYIEQKGAPIVIKAD----GKGVTVAQTVEEALAAAKAALVDGQFGTAGSQVVIEEYLEGEEFSFMAFVNGEKVYPLAIAQDHKRAYDGDEGPNTGGMGAYSPVPQISDEMMDAALEAILRPAAKALAAEGRPFLGVLYAGLMATANGPKVIEFNARFGDPEAQVVLPRLKTDLVEAVLAVMDGKELELEWTDEAV-LGVVLAAKGYPGAYERGAEIRGLDRISPDALLFHAGTK--REGGAWYTNGGRVLLLAAKGETLAKAKEKAYEQLAAIDCDGLFYRRDIGRRAI-

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 : 2489 -202019 -81.16 -491.53 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -81.16 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.631

(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: