Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------WTGKSEAS-N------RPPPGRRPEETTWFTSD----------------PSYACGVKIFRPGSEGSSGLAEITHLNF--------HEKIKVLKGQYE---CEVGPSCSTL--------RCTMPRGWRLDIFG-KSFPTRRTTYFAENGNPEYNTLASEANIPLYDCR--------------------------VVIRFPPTG--GRD-TGPLAEATHFNLGEVV---GVLGGRHTCQAQGQCANVNCNVPKGYTYYSLTGGPFQTKEKSHTFQSDA 2QDR Chain:A ((17-301)) FLHIASVKEDWGGDGRGRMNLSGRRTAIAKEYLPRQYQFFDTNTVMEKQGWRVRGMPDNIAPGSRRLLTWHDSGASTSRVVLPPKFEAPSGIFTADLEIFVIKGAIQLGEWQLNKHSYSFIPAGVRIGSWKVLGGEEAEILWMENGSVPLEYKYAQEDHPDARLSDFIPALDSKLLPWGKADTVQFVQANKKWLRKDINGGGVWLLAILPHFDNKYQMIQPYNEEGYCLTGYCDVGDYRIVKDHYWYCPSFSTLPRHITDDGGLFFVRVDRDLSKVATVLSYAPQ-

General information: TITO was launched using: RESULT: Template: 2QDR.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 : 925 17907 19.36 89.53 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 19.36 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.242

(partial model without unconserved sides chains): PDB file : Tito_2QDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QDR-query.scw PDB file : Tito_Scwrl_2QDR.pdb: