Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSHIYKKEMIDALRDRKTILLTILVPMIMMLGLVFFYESMLSDKGEQYTLAVGHSLPPALESKLNEIDEISVKTFAKPEEAVDEGKADAYLNVPKEFDSYVNSMTPFKVDVYGNSIDQGSSNAMQLVQSALDQYKNEIVQQRLTNKHIDQSVIQPFTIQQKEADEEKGTSAIMLSAILPMLILTSIVSGAMPIALDIMAGEKDRKSIEALLLTPVSRNKVLVGKWLAVSTFGVASGVFALVFLILSTVLFTENLKTAFQLGDHMWSVIGASALIIVLSALLISAMELFISIMSSSVKEAQSYMSLVVFLPVFPMFFIFSKAPNQFDLSYFLIPFLNLHALFKQLLFGMVDPATILSTSGTIAVLIAIFFLLARACFLKDKWVLPK 4QJ3 Chain:B ((434-503)) ------------------------------------FGDALLIEPLDKYPLAPGVPLP----SPQDLMGRILVKNKKR-----------SEVNATEEMSTLVNYIEPVK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 147 -3085 -20.99 -53.19 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain B : 0.46 3D Compatibility (PKB) : -20.99 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_4QJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QJ3-query.scw PDB file : Tito_Scwrl_4QJ3.pdb: