Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQVADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELR---LPAVLKTCRGGYDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPARVEKGIQ-QKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLLGD----------EVKLVEEDPELLKEAKLYIYGKHEIKKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE 4E4T Chain:A ((29-402)) --VSPILPGAWLGMVGGGQLGRMFCFAAQSMGYRVAVLDPDPASPAGAVADRHLRAAYDDEAALAELAGLCEAVSTEFENVPAASLDFLARTTFVAPAGRCVAVAQDRIAEKRFIEASGVPVAPHVVIESAAALAALDDAALDAVLPGILKTARLGYDGKGQVRVSTAREARDAHAALGGVPCVLEKRLPLKYEVSALIARGADGRSAAFPLAQNVHHNGILALTIVPAPAADTARVEEAQQAAVRIADTLGYVGVLCVEFFVLEDGSFVANEMAPRPHNSGHYTVDACATSQFEQQVRAMTRMPLGNPRQHSPAAMLNILGDVWFPNGAAAGAVTPPWDTVAAMPAAHLHLYGKEEARVGRKMGHVNFTAEMRDD------------------

General information: TITO was launched using: RESULT: Template: 4E4T.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 : 2129 -200858 -94.34 -557.94 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -94.34 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_4E4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E4T-query.scw PDB file : Tito_Scwrl_4E4T.pdb: