Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKILVTGGAGYIGSHTCVELLEAGHEVIVFDNLSNSSK------ESLNRVQEITHKSLTFVEGDIRNSGELDQVFQEHAIDAVIHFAGLKAVGESQEKPLIYFDNNIAGSIQLVKSMEKAGVYTLVFSSSATVYDEANTSPLNEEMPTGMPSNNYGYTKLIVEQLLQKLSVADSKWSIALLRYFNPVGAHKSGRIGEDPQGIPNNLMPYVTQVAVGRREKLSIYGNDYDTIDGTGVRDYIHVVDLANAHLCALNNRLQAQGCRAWNIGTGNGSSVLQVKNTFEQVNGVPVAFEFAPRRAGDVATSFADNARAVAELGWKPQYGLEDMLKDSWNWQKQNPNGYN 1EK6 Chain:B ((4-344)) --KVLVTGGAGYIGSHTVLELLEAGYLPVVIDNFHNAFRGGGSLPESLRRVQELTGRSVEFEEMDILDQGALQRLFKKYSFMAVIHFAGLKAVGESVQKPLDYYRVNLTGTIQLLEIMKAHGVKNLVFSSSATVYGNPQYLPLDEAHPTGGCTNPYGKSKFFIEEMIRDLCQADKTWNAVLLRYFNPTGAHASGCIGEDPQGIPNNLMPYVSQVAIGRREALNVFGNDYDTEDGTGVRDYIHVVDLAKGHIAALRKLKEQCGCRIYNLGTGTGYSVLQMVQAMEKASGKKIPYKVVARREGDVAACYANPSLAQEELGWTAALGLDRMCEDLWRWQKQNPSGF-

General information: TITO was launched using: RESULT: Template: 1EK6.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 : 2040 52871 25.92 157.82 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : 25.92 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_1EK6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1EK6-query.scw PDB file : Tito_Scwrl_1EK6.pdb: