Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIFKKAVFVIMISFLIATVNVNTAHAAIDVSAKSAIIIDGASGRVLYAKDEHQKRRIASITKIMTAVLAIESGKMDQTVTVSANAVRTEGSAIYLTEGQKVKLKDLVYGLMLRSGNDAAVAIAEHVGGSLDGFVYMMNQKAEQLGMKNTRFQNPHGLDDHENH-YSTAYDMAILTKYAMKLKDYQKISG--TKIYKAETMESVWKNKNKLLTMLYPYSTGGKTGYTKLAKRTLVSTASKDGIDLI------AVTINDPNDWDDHMKMFNYVFEHYQTYLIAKKGDIPKLKGTFYESKAFIKRDITYLLTEEEKENVKINTTLLKPKKAWEKDASKIPDIVGHMEIMFNDATIAKVPIYYENERHQKPKKQFFETFKSIFLNAAGGAKWSI 4RYE Chain:A ((39-280)) -----------------------------DGPAQTWIVADLDSGQVLAGRDQNVAHPPASTIKVLLALVALDELDLNSTVVADVADTQAECNCVGVKPGRSYTARQLLDGLLLVSGNDAANTLAHMLGGQ-DVTVAKMNAKAATLGATSTHATTPSGLDGPGGSGASTAHDLVVIFRAAMANPVFAQITAEPSAMFPSDNGEQLIVNQDELL-QRYPGAIGGKTGYTNAARKTFVGAAARGGRRLVIAMMYGLVKEGGPTYWDQAATLFDWGF----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RYE.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 : 1417 -25129 -17.73 -107.85 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -17.73 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_4RYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RYE-query.scw PDB file : Tito_Scwrl_4RYE.pdb: