Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILT---------MDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAV-RYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSY-PHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK 4YT3 Chain:B ((22-384)) -------------------------------PYAWCKRMLENDPVSYHEGTDTWNVFKYEDVKRVLSDYKHFSSVR---------VPEKIQITESDPPDHRKRRSLLAAAFTPRSLQNWEPRIQEIADELIGQMDGGTEIDIVASLASPLPIIVMADLMGVPSKDRLLFKKWVDTLFLPF----QEEVDKL---KQVAAKEYYQYLYPIVVQKRLNPADDIISDLLKSEVDGEMFTDDEVVRTTMLILGAGVETTSHLLANSFYSLLYDDKEVYQELHENLDLVPQAVEEMLRFRFNLIKLDRTVKEDNDLLGVELKEGDSVVVWMSAANMDEEMFEDPFTLNIHRPNNKKHLTFGNGPHFCLGAPLARLEAKIALTAFL------KKFKH---IEAVPS----------------

General information: TITO was launched using: RESULT: Template: 4YT3.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 : 1480 -187134 -126.44 -561.96 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -126.44 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_4YT3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YT3-query.scw PDB file : Tito_Scwrl_4YT3.pdb: