Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNILRAMVILLIICGTYVLFIQYGSVPEKKSNDSEPQVSNEEAQSGKRIHMPTSGLLSFMGKHADEVTKKLGEPERIDPSAYDYDWWVYNQGKDQYIQIGVLNNKVVTLFASGNDINAKPFKIGESTGEVFKTTQVAPFVNVEYKGNSYRFEFSEEDINTRPTVKVGKMYVQLYMDKFEGKLSSIRAFDAQTFVKQRPYEVVYRGELIKPKAVSDEKWKKIQTTSEKQILDLTNVIRVKHGLAKLEWDQPTAEVAFGHSEDMKENNYFSHVSKKYGS-LKDRLEEGHVDFQQAGENIAYNYVDGPAAVEGWLNSEGHRKALLNSDYTHLGVGVDR-----KYYTQNFIKRW 4D53 Chain:A ((4-136)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGHKIDTKEDMKILYSEIAELRKKLNLNHLEIDDTLEKVAKEYAIKLGENRTITH--TLFGTTPMQRIHKYDQSFNLTREILASG-IELNRVVNAWLNSPSHKEALINTDTDKIGGYRLKTTDNIDIFVVLFGKRK

General information: TITO was launched using: RESULT: Template: 4D53.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 : 565 -35021 -61.98 -275.75 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -61.98 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.256

(partial model without unconserved sides chains): PDB file : Tito_4D53.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D53-query.scw PDB file : Tito_Scwrl_4D53.pdb: