Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKDIRVLLYYLYTPIENAEQFAADHLAFCKSIGLKGRILVADEGINGTVSGDYETTQKYMDYVHSLPGMEELWFKIDEENEQAFKKMFVRYKKEIVHLGLEDNDFDNDINPLETTGAYLSPKEFKEALLDKDTVVLDTRNDYEYDLGHFRGAIRPDIRNFR----ELPQWVRDNKEKFMDKRVVVYCTGGVRCEKFSGWMVREGYKDVGQLHGGIATYGKDPEVQGELWDGKMYVFDERIAVDVNHVNPTIVGKDWFDGTPCERYVNCGNPFCNRRILTSEENEDKYLRGCSHECRVHPRNRYVSKNELTQAEVIERLAAIGESLDQAATV 3NTA Chain:A ((483-561)) ---------------------------------------------------------------------------------------------------------------------------------LSEDQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELPK----------DKEIIIFCQVGLRGNVAYRQLVNNGYR-ARNLIGGYRTY-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NTA.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 : 307 -25424 -82.81 -338.99 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -82.81 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3NTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NTA-query.scw PDB file : Tito_Scwrl_3NTA.pdb: