Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKDIRVLLYYLYTPIENAEQFAADHLAFCKSIGLKGRILVADEGINGTVSGDYETTQKYMDYVHSLPGMEELWFKIDEENEQAFKKMFVRYKKEIVHLGLEDNDFDNDINPLETTGAYLSPKEFKEALLDKDTVVLDTRNDYEYDLGHFRGAIRPDIRNFR----ELPQWVRDNKEKFMDKRVVVYCTGGVRCEKFSGWMVREGYKDVGQLHGGIATYGKDPEVQGELWDGKMYVFDERIAVDVNHVNPTIVGKDWFDGTPCERYVNCGNPFCNRRILTSEENEDKYLRGCSHECRVHPRNRYVSKNELTQAEVIERLAAIGESLDQAATV 4OCG Chain:A ((483-561)) ---------------------------------------------------------------------------------------------------------------------------------LSEDQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELPK----------DKEIIIFCQVGLRGNVAYRQLVNNGYR-ARNLIGGYRTY-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCG.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 : 308 -24238 -78.69 -323.17 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -78.69 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_4OCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OCG-query.scw PDB file : Tito_Scwrl_4OCG.pdb: