Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYFEKLLDSSQQQKQLPLIFPLLIALFSGAVFSFALAPYYWWWLAILSPALLYATLHNRSAKQAFAIGWSYGFGLWFVGAFWLYTSIHVYGDTNAFLSVCMIAVMALVMGLFTAFQTWVYRRFFPETPLTFAPLWIIFEWAKTWVFTGFPWLFVGYAFTERLLDGYAPLFGIYAISFVVIVLACALVEVLRKRIFWVIPAALLVLGAWGASYIQFVQPKATKPLSVSLIQGNIPQDLKWLTEYQVRTLEIYAGLTQSEWGRDLIVWPESSIPLFQTDI--------EPFLDAMDAQAKKNHTAWVTGIPYWDVTKSHQVGSPLYYNSIMASGSD-SSGLYKKQRLVPFGEYIPLSGLLSWVLPAMQNDISMSGFTRGESDQKPLLI-KGHALAAAICYEVAYPNLTRRN-AEDSDFLVTVSNDAWFTGTAGPWQHLQMVQMRAKENGRWFIRATN---------TGVTAFIDQNGHITEQAPIDKEFVLRGDLPAMQGQTFYNRLGDYPILGFAVLLLVLGWIYRPRKVDVSYKSRR 5KHA Chain:A ((9-265)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KSFKVALAQFSPHIGNI--DSNTQKMI-EQANQAKKQ-DADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTE-------DGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDE-----------------KRYFQKGHQH--LVFEYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLVLNSSPYEV--GKPQHRKQTLSELAKQLHLNIVYVNQVGGQDDLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRD-----------------------------------------

General information: TITO was launched using: RESULT: Template: 5KHA.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 : 1232 1802 1.46 8.08 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : 1.46 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.371

(partial model without unconserved sides chains): PDB file : Tito_5KHA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KHA-query.scw PDB file : Tito_Scwrl_5KHA.pdb: