Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------MFQIDLNCDLGESFGAYKIGLDQDILEYVTSANIACGFHAGDPSVMRKTV-----ALAAER-GVKMGA-------HPGLPD-L-LGFGRRNMAISPEEAYDLV-VYQIGALSGFLKAEGLH----------MQHVKPHGALYNMAAV-DQKLSDAIAKAVYKVDPGLILFGLAESELVKAGERIGLQTANEVFADRTYQSDGTLTPRSQPDALIESDDAAVTQVI-KMVKEGAVKSQQGHDVSLKADTVCIHGDGAHALTFAQKIRK----QLKAA----GIEVTAISEQRST 3UP6 Chain:A ((35-358)) TRAQLSIDLVNNVEQQEKINSMRFIVFGSTPGGVRLDVNEHILLSTPETATDIDAQLLEVTSSNDILVVVIANEPQSLTSQLDGIANLLTLQEMIYDISSILNSDGQIISATGMPMTGVIR-DISIAPDETKTVQMVIERAVARVDVFIEAIDGGAVTGYTAGSTSVTLHNFSHDSYFVMGNVGNGTRDNADSSKNYGKVKEDVSESNLLTHSWTAATTETWAYSSAPGAENRKLLCSFYTAERLFKSDYSDRLSISMANVLKGPSDVTGITGKVIESVTK-VDGTGSPTAQPFTEIRRNNVYQVTARVGKIGIQILTISVEDW-

General information: TITO was launched using: RESULT: Template: 3UP6.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 : 1047 -62590 -59.78 -246.42 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -59.78 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.076

(partial model without unconserved sides chains): PDB file : Tito_3UP6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UP6-query.scw PDB file : Tito_Scwrl_3UP6.pdb: