Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDPSVMVGQYTLGKQIGSGNFSKVRLG-TDPQGRTWAIKIVDKRRLKKENMEDQMLREVAIMRSLRQQNVVKLQEVLQSSNHYYLVLELVTGGELFDKIVAAKRFDEPTARRYFHQLIAGMYYCHSKGFAHRDLKPENLLLDANGTLKISDFGLSNLQQDVLLQTICGTPNYVAPEVLMERGYNGLSADIWSCGVVLYVMLAGRLPFEDRNMNVLLGKIERGDYQMIRHISDPAKDLVARMLTVDPRKRISMEDVINHPWFQIDWNPRLLST 3HYH Chain:A ((54-315)) --------NYQIVKTLGEG---KVKLAYHTTTGQKVALKIINKK------MQGRIEREISYLRLLRHPHIIKLYDVIKSKDEIIMVIEY-AGNELFDYIVQRDKMSEQEARRFFQQIISAVEYCHRHKIVHRDLKPENLLLDEHLNVKIADFGLS--------------PNYAAPEVISGKLYAGPEVDVWSCGVILYVMLCRRLPFDDESIPVLFKNISNGVYTLPKFLSPGAAGLIKRMLIVNPLNRISIHEIMQDDWFKVDLPEYLL--

General information: TITO was launched using: RESULT: Template: 3HYH.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 : 1099 -52012 -47.33 -219.46 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -47.33 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3HYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HYH-query.scw PDB file : Tito_Scwrl_3HYH.pdb: