Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSHIYKKEMIDALRDRKTILLTILVPMIMMLGLVFFYESMLSDKGEQYTLAVGHSLPPALESKLNEIDEISVKTFAKPEEAVDEGKADAYLNVPKEFDSYVNSMTPFKVDVYGNSIDQGSSNAMQLVQSALDQYKNEIVQQRLTNKHIDQSVIQPFTIQQKEADEEKGTSAIMLSAILPMLILTSIVSGAMPIALDIMAGEKDRKSIEALLLTPVSRNKVLVGKWLAVSTFGVASGVFALVFLILSTVLFTENLKTAFQLGDHMWSVIGASALIIVLSALLISAMELFISIMSSSVKEAQSYMSLVVFLPVFPMFFIFSKAPNQFDLSYFLIPFLNLHALFKQLLFGMVDPATILSTSGTIAVLIAIFFLLARACFLKDKWVLPK 4XTR Chain:G ((15-30)) --------------RWRVYLLIVLLVMLLF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XTR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 3 -770 -256.50 -48.09 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain G : 0.43 3D Compatibility (PKB) : -256.50 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_4XTR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XTR-query.scw PDB file : Tito_Scwrl_4XTR.pdb: