Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKDIRVLLYYLYTPIENAEQFAADHLAFCKSIGLKGRILVADEGINGTVSGDYETTQKYMDYVHSLPGMEELWFKIDEENEQAFKKMFVRYKKEIVHLGLEDNDFDNDINPLETTGAYLSPKEFKEALLDKDTVVLDTRNDYEYDLGHFRGAIRPDIRNFRELPQWVRDNKEKFMDKRVVVYCTGGVRCEKFSGWMVREGYKDVGQLHGGIATYGKDPEVQGELWDGKMYVFDERIAVDVNHVNPTIVGKDWFDGTPCERYVNCGNPFCNRRILTSEENEDKYLRGCSHECRVHPRNRYVSKNELTQAEVIERLAAIGESLDQAATV 2K0Z Chain:A ((6-96)) ----------------------------------------------------------------------------------------------------------------------AISLEEV----NFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLS----QHKDKKVLLHCRAGRRALDAAKSMHELGYT-PYYLEGNVYDFEKY--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2K0Z.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 : 420 -63180 -150.43 -694.28 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -150.43 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_2K0Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2K0Z-query.scw PDB file : Tito_Scwrl_2K0Z.pdb: