Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKEITFSVFFLQFIEKSLYFASYSFFVTIRNGTSKKMKKQGTRYMEKKQKIILGATSALTIVILILSLFFVIRSSTKKEPIIPEKKITEKAKEPTDDKQQLVTQAKNLAQSYDYDQAIALLEKDSKNGSTETQQLLQTLKKEKEQLIDWSDPTQISHVFFHSLIVDPQKAFHSQQAQGYKDYMVTVEEFNRSIEQLYQNDFVLVNLNDLIQKDEQGNLSFNGLALPEGKKPLVLSQDDVSYYEYMDNSGFPSRLVVSNNNEIKNVYKEKDKEEIGDFDMVPLIDAFVKKHPDFSYRGAKGTLALTGY-NGVLGYRTSKSQYGDNEKTKKEIKEAKKVAEQLKKDG-WSFASHTWGHLNMTQA------------------S----LEDVKKDNELWQQEVAPILGK-TNILIYPFGADISDWQPYSAENQKFAYLKSQGFDIFCNVDASTPAWGQLGTDFYRNARINIDG-IRFQSDLDGKNPILDPFINVHDVYDKEARESA 3VUS Chain:A ((2-260)) ----------------------------------------------------------------------------------------------------------------------------------------------------PW-PHNGFVAISWHNVEDEAAD---------QRFMSVRTSALREQFAWLRENGYQPVSIAQIREAHRGG------KPLP--EKAVVLTFDD----------GYQSFYTR----------------------VFPILQAF----------QWPAVWAPVGSWVDTPA-DKQ-VKFGDEL-VDREYFATWQQVREVARSRLVELASHTWNSHYGIQANLPVYVNRAYFTDHARYETAAEYRERIRLDAVKMTEYLRTKVEVNPHVFVWPYGE-------AN--GIAIEELKKLGYDMFFTLESGLA-N--A-SQLDSIPRVLIANNPSLKEF--------------------------

General information: TITO was launched using: RESULT: Template: 3VUS.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 : 1120 -46393 -41.42 -203.48 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -41.42 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_3VUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VUS-query.scw PDB file : Tito_Scwrl_3VUS.pdb: