Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKWLQIHITVDQEQVEFTETLLMSLGAVSVTLDDAEDQALLEPLPGETPLWNKVIVTGIYQQDEQDPIDVDTLEAFLKAQLPDVPMRHEELEDQVWERAWMDYYEPIQIGEKFWIVPEWLEPPEA--DATNIKLDPGLAFGTGNHASTFLCLQWLGKTDVKNKIVIDYGCGSGILGVAALLLGAKKVYATDIDPQAVLATKQNAELNGVLDRLYVGLPEEFDQEFKPQQADVLVANILAGPLMALAPEFAKLLKSDGDFALAGVIEEQVVDVSGVYSEFFDILDVEKR--EENWCRISGKRKTTN 3GRZ Chain:B ((3-196)) -------------------------------------------------------------------------------------------------------YHVINLSRHLAIVPEWEDYQPVFKDQEIIRLDPGLAFG--NHQTTQLAMLGIERAMVKPLTVADVGTGSGILAIAAHKLGAKSVLATDISDESMTAAEENAALNGIY-DIALQKTSLLAD--VDGKFDLIVANILAEILLDLIPQLDSHLNEDGQVIFSGIDYLQLPKIEQALAENS--FQIDLKMRAGRWIGLAISRK---

General information: TITO was launched using: RESULT: Template: 3GRZ.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 : 1046 -16682 -15.95 -88.73 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -15.95 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3GRZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRZ-query.scw PDB file : Tito_Scwrl_3GRZ.pdb: