Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFILVFLYALIYRNGGCRLLDKWLKAELEKKIGAIQHMSLLDEQGGTSTVRKIVTSQGAFLLKSSSRQRYREWLRREALVLQKLTETHRLPVPVYYGFIQQQHSSHIVMSFEDGITLTSALRKAKGDTEKKKLIKSFGQFLNRLHETELVPDLQP-EIDWL-D---LQIKRAGEYV----EKGQAEGSAGLLKELDQHRPVPVQQTMIHGDCTTDNVLVKDG--EVCLFIDAAGISAGDPRYDESLAIRNFA------TNEAFLNAFYEGYCRYR---VSKQEFEYFNGGLYEFF 4H05 Chain:B ((18-266)) ---------------------------------------VVVE-DGASGAGVYRLRGGGRELFVKVAALG-AGVGLLGEAERLVWLA-EVGIPVPRVVEGGGDERVAWLVTEAVPGRPASARWP----REQRLDVAVALAGLARSLHALDWERCPFDRSLAVTVPQAARAVAEGSVDLEDLDEERKGWSGERLLAELERTRPADEDLAVCHGDLCPDNVLLDPRTCEVTGLIDVGRVGRADRHSDLALVLRELAHEEDPWFGPECSAAFLREYGRGWDGAVSEEKLAFYRL-LDEF-

General information: TITO was launched using: RESULT: Template: 4H05.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1029 -51419 -49.97 -224.53 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -49.97 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.371

(partial model without unconserved sides chains): PDB file : Tito_4H05.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4h05-query.scw PDB file : Tito_Scwrl_4H05.pdb: