Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSHIYKKEMIDALRDRKTILLTILVPMIMMLGLVFFYESMLSDKGEQYTLAVGHSLPPALESKLNEIDEISVKTFAKPEEAVDEGKADAYLNVPKEFDSYVNSMTPFKVDVYGNSIDQGSSNAMQLVQSALDQYKNEIVQQRLTNKHIDQSVIQPFTIQQKEADEEKGTSAIMLSAILPMLILTSIVSGAMPIALDIMAGEKDRKSIEALLLTPVSRNKVLVGKWLAVSTFGVASGVFALVFLILSTVLFTENLKTAFQLGDHMWSVIGASALIIVLSALLISAMELFISIMSSSVKEAQSYMSLVVFLPVFPMFFIFSKAPNQFDLSYFLIPFLNLHALFKQLLFGMVDPATILSTSGTIAVLIAIFFLLARACFLKDKWVLPK 4XEA Chain:A ((343-396)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GIDEEAFERARKKIMGRVLMSLDQNAFLVRNWVTYFLRGAEAFAFADVIAVLQT------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XEA.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 : 74 -18540 -250.53 -343.32 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -250.53 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_4XEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XEA-query.scw PDB file : Tito_Scwrl_4XEA.pdb: