Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLAEFYSKEGNMNTNLASFIVGLIIDENDRFYFVQKDGQTYALAKEEGQHTVGDTVKGFAYTDMKQKLRLTTLEVTATQDQFGWGRVTEVRKDLGVFVDTGLPDKEIVVSLDILPE----LKELWPKKGDQLYIRL-EVDK-KDRIWGLLAYQE---DFQRLARPAYNNMQNQNWPAIVYRLKLSGTFVYLPENNMLGFIHPSERYAEPRLGQVLDARVIGFREVDRTLNLSLKPRSFEMLENDAQMILTYLESNGGFMTLNDKSSPDDIKATFGISKGQFKKALGGLMKAGKIKQDQFGTELI 2K4K Chain:A ((4-124)) -----------------------------------------------------------------------------KFEVGSVYTGKVTGLQ-AYGAFVALDE-ETQGLVHISEVTHGFVKDINEHLSVGDEVQVKVLAVDEEKGKISLSIRATQAAPEKKES----KPRKPKAA--QVSEEASTPQGFNTLK-DKLEEWIEMSNR---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2K4K.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 : 406 4220 10.39 37.68 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 10.39 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.299

(partial model without unconserved sides chains): PDB file : Tito_2K4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2K4K-query.scw PDB file : Tito_Scwrl_2K4K.pdb: