Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIALFYMGGTFG--CIGEPLAPMP------------YD------QFLPQLEKVIPP-----HLTVDCFAAPNIVDSSACTAPDWLRLIQRIQQLQLEGYQHFVVIHGTDTLSYAAATLARFLGQSCH--IVITGSQYPLLNIQGDNTREFTDAIENLYLALEQVIALLVGAY------LAFHHQVFHAQTALKTHTTELDAFSGLSSNVEFTPQQNELIVQDAQIEKAASF-QLLNW---------MMQPIATQHL-----VQQLRHLLPAPPHFLVLQGFGTGNIAVNDEFLATLDELYTRGCVPILATQVTFGGIDQRYAISTWAKTAKIVINDAHSHADLYAKALQIYLKY--PTPEQWLNHWNENLH 5DNE Chain:A ((32-373)) -RHLLLIYTGGTLGMQSKGGVLVPGPGLVTLLRTLPMFHDKEFAQAQGLPDHALALPPASHGPRVLYTVLECQPLLDSSDMTIDDWIR-IAKIIERHYEQYQGFVVIHGTDTMASGASMLS-FMLENLHKPVILTGAQVPIRVL-------WNDARENLLGAL-----LVAGQYIIPEVCLFMNSQLFRGNRVTMVDSQKFEAFC--------SPNLSPLATVGADVTIAWDLVRKVKWKDPLVVHSNMEHDVALLRLYPGIPASLVRAFLQPPLKGVVLETFGSGNGPSKPDLLQELRAAAQRGLIMVNCSQCLRGSVTPGYATSLAG--ANIV-----SGLDMTSEAALAKLSYVLGLPELSLERRQELL-

General information: TITO was launched using: RESULT: Template: 5DNE.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 : 1430 -86336 -60.37 -295.67 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -60.37 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.284

(partial model without unconserved sides chains): PDB file : Tito_5DNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DNE-query.scw PDB file : Tito_Scwrl_5DNE.pdb: