Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIEEFTSGLAEKGISLSPRQLEQFELYYDMLVEWNEKINLTSITEKKEVYLKHFYDSITAAFYVDFNQVNTICDVGAGAGFPSLPIKICFPHLHVTIVDSLNKRITFLEKLSEALQLENTTFCHDRAETFGQRKDVRESYDIVTARAVARLSVLSELCLPLVKKNGLFVALKAASAEEELNAGKKAITTLGGELENIHSFKLPIEESDRNIMVIRKIKNTPKKYPRKPGTPNKSPIEG 1JSX Chain:A ((3-206)) ---NKLSLLLKDAGISLTDHQKNQLIAYVNMLHKWN------------EMLVRHILDSIVVAP---YLQGERFIDVGTGPGLPGIPLSIVRPEAHFTLLDSLGKRVRFLRQVQHELKLENIEPVQSRVEEFPS----EPPFDGVISRAFASLNDMVSWCHHLPGEQGRFYALKGQMPEDE----IALLP-EEYQVESVVKLQVP--DGERHLVVIKANK--------------------

General information: TITO was launched using: RESULT: Template: 1JSX.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 : 976 -125000 -128.07 -657.89 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -128.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_1JSX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JSX-query.scw PDB file : Tito_Scwrl_1JSX.pdb: