Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNEFPIFDYEDIQLIPNKCVIKSRAEADTSVTLG-NHTFKLPVVPANMQTILDENVAEQLAKGGYFYIMHRFDE-A---------GR-IPFIKRMHD----------QGLIASISVGVKDYEYDFVSQLKADAPEYITIDIAHGHADSVISMIQHIKKELPDTFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKVKTGFGTGGWQLAALRWCAKAA---RKPIIADGGIRTHGDIAKSIRFGASMIMIGSLFAGHIESPGKTIEVDGEQFKEYYGSASQYQKGAYKNVEGKRILLPAKGHLQDTLTEMEQDLQSAISYAGGRQVADLKH-VDYVIVKNSIWNGDASH 5AHN Chain:A ((3-467)) -RISQEALTFDDVLLIPGYSEVL-PKDVSLKTRLTRGIELNIPLVSAAMDTVTEARLAIAMAQEGGIGIIHKNMGIEQQAAEVRKVKKH---------TYPLASKDEQGRLRVGAAVGTGADTGERVAALVAAGVDVVVVDTAHGHSKGVIERVRWVKQTFPDVQVIGGNIATAEAAKALAEAGADAVKVGIGPGSICTTRIVAGVGVP--QISAIANVAAALEGTGVPLIADGGIRFSGDLAKAMVAGAYCVMMGSMFAGTEEAPG--------------------------------------GALSAIVHQLMGGLRAAMGYTGSADIQQMRTQPQFVRITGA--------

General information: TITO was launched using: RESULT: Template: 5AHN.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 : 1622 -31720 -19.56 -117.92 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -19.56 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_5AHN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AHN-query.scw PDB file : Tito_Scwrl_5AHN.pdb: