Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKDIRVLLYYLYTPIENAEQFAADHLAFCKSIGLKGRILVADEGINGTVSGDYETTQKYMDYVHSLPGMEELWFKIDEENEQAFKKMFVRYKKEIVHLGLEDNDFDNDINPLETTGAYLSPKEFKEALLDKDTVVLDTRNDYEYDLGHFRGAIRPDIRNFRELPQWVRDNKEKFMDKRVVVYCTGGVRCEKFSGWMVREGYKDVGQLHGGIATYGKDPEVQGELWDGKMYVFDERIAVDVNHVNPTIVGKDWFDGTPCERYVNCGNPFCNRRILTSEENEDKYLRGCSHECRVHPRNRYVSKNELTQAEVIERLAAIGESLDQAATV 3K9R Chain:A ((37-112)) --------------------------------------------------------------------------------------------------------------------------------------TILDVRDRSTYNDGHIMGAMAMPIEDLVD-----RASSSLEKSRDIYVYGAGDEQTSQAVNLLRSAGFEHVSELKGGLAAW-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K9R.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 : 342 -45150 -132.02 -594.08 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -132.02 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_3K9R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K9R-query.scw PDB file : Tito_Scwrl_3K9R.pdb: