Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINKKPRIPSPVQIPEHLSFLQGFRDYLVAQTVSPHTRNAYLSDLIQCSEIHKKNRLPDWTSDDISDVLIELTKVGKSPRSIARCLSALRQFYKSLREQKLRSDNPVATHHSPKIGRALPKDLSEEDVEALIQAPDITT---------ALGLRDRAMFEVLYACGLRVSELLNLRLELINLKQGYLRIT------------------GKGNKERLVPLGQYACDWVERYLNEARPQLY----KSSTDYLFLTQHGGIMSRQNFWYAIKRYALQANIQAELSPHTLRHAFATHLLNHGADLRVVQMLLGHSDLSTT-QIYTHVAQVRMQQLHEKHHPRG 3NKH Chain:A ((24-237)) ------------------------------------------------------------------------------------------------------------------------AYLELNEIESIIKDINTKAQKMHSGIHKRFYLFVALMTEFQALNGMRIGEMLAIQNEDIDFDNKSLNINGTIHWFHDESGGFGVKDTT--SSYRTIGLSSRSCEILKKAILENKKDSKWNDGYLNRNFVFTNHKGNPMQTERFNKILREAAKDVGIDKEVSSHILRHSHISLLSQQGVSLKAIMDRVGHSDHRTTLSIYSHVTEQMDKDMMNK-----

General information: TITO was launched using: RESULT: Template: 3NKH.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 : 798 -1289 -1.61 -7.20 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -1.61 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_3NKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NKH-query.scw PDB file : Tito_Scwrl_3NKH.pdb: