Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MCRLRERTRMTQQDFRTKVDNTVFGVRATALIVQNHKLLVTKD----KGKYYTIGGAIQVNEKTEDAVVREVREELGVKAQAGQLAFVVENRFEVDG----VSYHNIEFHYLVDLLEDAPL-TMQEDEKSQPCEWIDLDKLEDIQLVPAFLKTALPDWEGQLRHIHLEE- 2R5W Chain:A ((6-349)) MYDISVFIGRFQPFHKGHLHNIIIALQNSKKVIINIGSCFNTPNIKNPFSFEQRKQMIESDLQVAGIDLDTVVIEPLADYFYQEQKWQDELRKNVYKHAKNNNSIAIVGHIKDSSSYYIRSFPEWDYIGVDNYKNFNATEFRQKFYNGIISKQYMCSNDPKLGTYNFLTKFMDTQVYQDLVAENNYVIEYKRLWLKAPFKPNFVTVDALVIVNDHILMVQRKAHPGKDLWALPGGFLECDETIAQAIIRELFEETNINLTHEQLAIAKRCEKVFDYPDRSVRGRTISHVGLFVFDQWPSLPEINAADDAKDVKWISLGSNIKNICDRMLE-----DHYQIITILLEECG

General information: TITO was launched using: RESULT: Template: 2R5W.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 : 658 8496 12.91 54.81 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 12.91 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_2R5W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R5W-query.scw PDB file : Tito_Scwrl_2R5W.pdb: