Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTILLSLAILVFVPFLYKANRNTKDVKVNTISIDQKDGLPARKKLNILHLSDLHL--------------ENISVSPEELYHLTKDQPVDIIALTGDFLDRKRN--IPKLAGYLNALQKLKPAYGMYAVFGNHDYVLKEEDFQRLKRVLEENGCITLQNEHVRIETAAGPVNIIGIDDYSTNRSNITGSYQSLENGYHLVLTHDPNIILDMKDVHYDYLLSGHFHGGQIHWPKPYHLVKMGKLVRMNMIKGLHYHHDKPFYISEGLGQTGVNIRVGSRPEVTFHQI 4O4K Chain:A ((17-108)) -------------------------------------------KELKILHTSDWHLGVTSWTSSRPVDRREELKKALDKVVEEAEKREVDLILLTGDLLHSRNNPSVVALHDLLDYLKRMMRTAPVVVLPGNHDW-------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4O4K.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 : 244 -46585 -190.92 -612.95 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -190.92 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_4O4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O4K-query.scw PDB file : Tito_Scwrl_4O4K.pdb: