Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKASVIIPAYNSK-ERLYNSLLSLNQQECDE-EFEVIVADNGSEDGT-LSMLESFQAD--FPLIFTRIKENRGIAYGRNQALRNARGDILIFHDSDMLAAKDLVAKHIKAHENEENLVVCGLFWKRIYSFYYERFEEEHKEQLAKLTGEMPKKDKQKLLEEADIKNGSFLD-KSFDLDTDFIDVLKKILDEYGDDLKGYHMPWRFFITNNSSVKRKHVVDLGLFDEGIVRYGFEDYDLGIRLHQAGLTFRLRRDIVSVHQEHPSNCKSV-DDIRANIAYMCDKYNNIRSLDVHLAFNGPFPPDMTNRIMADIQKLLESQKYDMLLNLFLELLHVVKERNIDPDWRKKSPRVTAKSFDLQTVRKLLPKAKKKLGVNDFANALYALVNDLLHVDLRSLDVV 1XHB Chain:A ((29-294)) PTTSVVIVFHNEAWSTLLRTVHSVINRSPRHMIEEIVLVDDASERDFLKRPLESYVKKLKVPVHVIRMEQRSGLIRARLKGAAVSRGQVITFLDAHCECTAGWLEPLLARIKHDRRTVVCPIIDVISD----DTF--EYM---AGS-----------DMT-----YGGFNWKLNFR----WYPVPQREMDR-RKGDRTLPVRTPTMAGGLFSIDRDYFQEIGTYDAGMDIWGGENLEISFRIWQCGGTLEIVTCSHVGHVF--------GQIINKNNRRLAEVWMDEFKNFF-----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XHB.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 : 1319 -135575 -102.79 -548.89 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -102.79 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_1XHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XHB-query.scw PDB file : Tito_Scwrl_1XHB.pdb: