Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEKILVEHLVKKYGDNTVLNDINVSINEGDVVCIIGPSGSGKSTFLRCLNRLEEPSDGEIIIDGAHLMDKSTD--INLVRQHIGMVFQHFNLFPHLSILENIILAPMDLKKE---SREEAEKKAIKLLQTVGLEDK-KDMYPEMLSGGQKQRVAIARALAMNPDIMLFDEPTSALDPEMVGDVLNVMKKLAEQ-GMTMVIVTHEMGFAKEVANRVMFIDDGNFLEDGTPQQIFENPQNERTKDFLNKVLNI 3TIF Chain:A ((20-221)) ------------------ALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVEL-PLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVAR-FGERIIYLKDG------------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 941 -3709 -3.94 -19.02 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -3.94 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: