Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKWLQIHITVDQEQVEFTETLLMSLGAVSVTLDDAEDQALLEPLPGETPLWNKVIVTGIYQQDEQDPIDVDTLEAFLKAQLPDVPMRHEELEDQVWERAWMDYYEPIQIGEKFWIVPEW--LEPPEADATNIKLDPGLAFGTGNHASTFLCLQWLGKTDVKNKIVIDYGCGSGILGVAALLLGAKKVYATDIDPQAVLATKQNAELNGVLDRLY--VGLPEEFDQEFKPQQADVLVANILAGPLMALAPEFAKLLKSDGDFALAGVIEEQVVDVSGVYSEFFDILDVEKREENWCRISGKRKTTN 3GRZ Chain:A ((2-196)) ------------------------------------------------------------------------------------------------------YYHVINLSRHLAIVPEWEDYQPVFKDQEIIRLDPG-----GNHQTTQLAMLGIERAMVKPLTVADVGTGSGILAIAAHKLGAKSVLATDISDESMTAAEENAALNGIYDIALQKTSLLADVDGKF-----DLIVANILAEILLDLIPQLDSHLNEDGQVIFSGIDYLQLPKIEQALAENSFQIDLKMRAGRWIGLAISRK---

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 A - contact count / total energy / energy per contact / energy per residue : 1027 -42504 -41.39 -228.51 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -41.39 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.522

(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: