Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKILGRDNSINVRKVLWLCDELNLTYEREDWGKGFRSAQSPEFLQLNPNGQIPVILDGDLVLWQSNSIIRYLANAYDKDHILYPTQAKQRAIIDQWIDWQAIELNNSWTYAFMSLIRHSALHQDPNLLQQGIDQWNKQMQILDQQLAKTQAYVAGTEFTLADIPIGLSVQRWKATPFDHPALKHVDQYFERLNQRKGFLKWGNNGQP 4KDX Chain:B ((23-229)) MLQILGKPTSINVRKVLWTCAELGLAFEREDWGAGFRPTNVPEFLALNPNAMVPVIRDGDFVLWESNSIIRYLAGRYGGEW-LYPADARERARCDQWIDWQASELNRSWSYAFLALVRQSPAHRDAQQIEASRANWAKHMAIVEGQLQRTGAFIAGDAFSLADIPIALSINRWLETPIARDDLPAVDAYMTRLASRDAYREYCRNGTP

General information: TITO was launched using: RESULT: Template: 4KDX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 981 -120478 -122.81 -582.02 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -122.81 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4KDX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KDX-query.scw PDB file : Tito_Scwrl_4KDX.pdb: