Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------DVPKHGQVDSRHGQGSSNH-GNNKPDKQFLWGWRCQVALIEHVDGKKVEVGKVVTEIGGEGSLHNVQLGEKGYVRFKTRQNCYPDIIEGTMDGDRFELGHKRRWTVVRTTKVP-GEDKAPLVAETQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3TIJ Chain:A ((8-422)) SLFMSLIGMAVLLGIAVLLSSNRKAINLRTVGGAFAIQFSLGAFILYVPWGQELLRGFSDAVSNVINYGNDGTSFLFGGLVSGKMFEVFGGGGFIFAFRVLPTLIFFSALISVLYYLG---------VMQWVIRILGGGLQKALGTSRAESMSAAANIFVGQTEAPLVVRPFVPKMTQSELFAVMCGGLASIAGGVLAGYASMGVKIEYLVAASFMAAPGGLLFAKLMMPETEKPQDKPANVIDAAAGGASAGLQLALNVGAMLIAFIGLIALINGMLGGIGGWFGMPELKLEMLLGWLFAPLAFLIGVPWNEATVAGEFIGLKTVANEFVAYSQFAPYLTEAAPVVLSEKTKAIISFALCGFANLSSIAILLGGLGSLAPKRRGDIARMGVKAVIAGTLSNLMAATIAGFFL

General information: TITO was launched using: RESULT: Template: 3TIJ.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 : 145 -1266 -8.73 -11.00 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.44 3D Compatibility (PKB) : -8.73 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.44 QMean score : -0.055

(partial model without unconserved sides chains): PDB file : Tito_3TIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIJ-query.scw PDB file : Tito_Scwrl_3TIJ.pdb: