Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIFKKAVFVIMISFLIATVNVNTAHAAIDVSAKSAIIIDGASGRVLYAKDEHQKRRIASITKIMTAVLAIESGKMDQTVTVSANAVRTEGSAIYLTEGQKVKLKDLVYGLMLRSGNDAAVAIAEHVGGSLDGFVYMMNQKAEQLGMKNTRFQNPHGLDDHENHYSTAYDMAILTKYAMKLKDYQKISGTKIYKAETM----ESVWKNKNKLLTMLYPYSTGGKTGYTKLAKRTLVSTASKDGIDLIAVTINDPN----DWDDHMKMFNYVFEHYQTYLIAKKGDIPKLKGTFYESKAFIKRDITYLLTEEEKENVKINTTLLKPKKAWEKDASKIPDIVGHMEIMFNDATIAKVPIYYENERHQKPKKQFFETFKSIFLNAAGGAKWSI 4PPR Chain:A ((53-307)) -------------------------PAPGDVSAEAWLVADLDSGAVIAARDPHGRHRPASVIKVLVAMASINTLTLNKSVAGTADDAAVEGTKVGVNTGGTYTVNQLLHGLLMHSGNDAAYALARQLGGM-PAALEKINLLAAKLGGRDTRVATPSGLDG-PGMSTSAYDIGLFYRYAWQNPVFADIVATRTFDFPGHGDHPGYELENDNQLL-YNYPGALGGKTGYTDDAGQTFVGAANRDGRRLMTVLLHGTRQPIPPWEQAAHLLDYGFNTPAG-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PPR.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 : 1522 -55937 -36.75 -232.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -36.75 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_4PPR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PPR-query.scw PDB file : Tito_Scwrl_4PPR.pdb: