Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKDIRVLLYYLYTPIENAEQFAADHLAFCKSIGLKGRILVADEGINGTVSGDYETTQKYMDYVHSLPGMEELWFKIDEENEQAFKKMFVRYKKEIVHLGLEDNDFDNDINPLETTGAYLSPKEFKEALLDKDTVVLDTRNDYEYDLGHFRGAIRPDIRNFR----ELPQWVRDNKEKFMDKRVVVYCTGGVRCEKFSGWMVREGYKDVGQLHGGIATYGKDPEVQGELWDGKMYVFDERIAVDVNHVNPTIVGKDWFDGTPCERYVNCGNPFCNRRILTSEENEDKYLRGCSHECRVHPRNRYVSKNELTQAEVIERLAAIGESLDQAATV 3NT6 Chain:A ((483-561)) ---------------------------------------------------------------------------------------------------------------------------------LSEDQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELPK----------DKEIIIFSQVGLRGNVAYRQLVNNGYR-ARNLIGGYRTY-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NT6.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 : 315 -21276 -67.54 -283.67 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -67.54 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_3NT6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NT6-query.scw PDB file : Tito_Scwrl_3NT6.pdb: