Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNINIVTIGKLKEKYLKQGIEEYTKRLSAYAKIDIIELPDEKAPENLSDQDMKIIKDKEGDRILSKISPDAHVIALAIEGKMKTSEELADTIDKLATYGKSKVTFVIGGSLGLSDTVMK-RADEKLSFSKMTFPH-QLMRLILVEQIYRAFRINRGEPYHK 4YQD Chain:A ((101-180)) ---------------------------------------------------------------------GAKVIYLSPQGRKLDQG-GVTELAQ-----NQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARF-----------

General information: TITO was launched using: RESULT: Template: 4YQD.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 : 256 -18565 -72.52 -254.32 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -72.52 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_4YQD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YQD-query.scw PDB file : Tito_Scwrl_4YQD.pdb: