Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQIDLNCDLGESFGAYKIGLDQDILEYVTSANIACGFHAG----------DP-------SVMRKTVALAAERGVK-MG--AHPGLPDLLGFGRRNMAISPEEAYDLVVYQIGALSGFLKAEGLHMQHVKPHGALYNMAAVDQKLSDAIAKAVYKVDPGLILFGLAESELVKAGERIGLQTANEVFADRTYQSDGTLTPRSQPDALIESDDAAVTQVIKMVKEGAVKSQQGHDVSLKADTVCIHGDGAHALTFAQKIRKQLKAAGIEVTAISEQRST 2HK0 Chain:A ((48-174)) ---------------------LATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYS-----QPVDKAGDYARGVEGINGIADFANDLGINLC-IEVLNRFENHVLNTAAEGVAFVKDVG---------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HK0.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 : 319 -60775 -190.52 -567.99 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -190.52 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.329

(partial model without unconserved sides chains): PDB file : Tito_2HK0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HK0-query.scw PDB file : Tito_Scwrl_2HK0.pdb: