Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKDIRVLLYYLYTPIENAEQFAADHLAFCKSIGLKGRILVADEGINGTVSGDYETTQKYMDYVHSLPGMEELWFKIDEENEQAFKKMFVRYKKEIVHLGLEDNDFDNDINPLETTGAYLSPKEFKEALLDKDTVVLDTRNDYEYDLGHFRGAIRPDIRNFRELPQWVRDNKEKFMDKRVVVYCTGGVRCEKFSGWMVREGYKDVGQLHGGIATYGKDPEVQGELWDGKMYVFDERIAVDVNHVNPTIVGKDWFDGTPCERYVNCGNPFCNRRILTSEENEDKYLRGCSHECRVHPRNRYVSKNELTQAEVIERLAAIGESLDQAATV 3HIX Chain:A ((13-95)) ------------------------------------------------------------------------------------------------------------------------------------AFTILDVRDRSTYNDGHIMGAMAMPIEDLVDRASS-----SLEKSRDIYVYGAGDEQTSQAVNLLRSAGFEHVSELKGGLAAWKAIGG------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HIX.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 : 350 -41563 -118.75 -500.76 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -118.75 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_3HIX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HIX-query.scw PDB file : Tito_Scwrl_3HIX.pdb: