Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFVARDARGELVNVLEDKLEKQAYTCPACGGQLHLRQGPSVRTHFAHKSLKDCDFFFENESPEHLANKESLYHWLKKETKVQLEYPLSELKQIADVFVNGNLALEVQCSPLPQKVLKERSEGYRSQGYQVLWLLGQKLWLKERLTRLQQGFLYFSQNMGFYVWELDKGKQVLRLKYLIYQDLRGKLHYQIKEFSYGQGSLLEILRLPYKKQKISHFTVSEDKDICRYIRQQLYYQNLFWMKEQAEAYQKGENILTYGLKEWYPQIRPIVGKFFQIEQDLTSYYQHFYTYYQKNPQNDWQKLYPPAFYQQYFLKNMVE 3WWN Chain:B ((20-36)) --------------------GELVVCEDCGAELEVVG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WWN.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 : 20 -1540 -77.00 -90.59 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.52 3D Compatibility (PKB) : -77.00 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.685

(partial model without unconserved sides chains): PDB file : Tito_3WWN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WWN-query.scw PDB file : Tito_Scwrl_3WWN.pdb: