Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKITFPDGAVKEFESGTTTLAIAESISKSLAKKALAGKVNGKLVDLTRPIEEDASIEIITPDHEDALGLVRHSAAHLMAQAMRRLYPNIHFGVGPAIDSGFYYDTDNGQNQVTAEDLPAIEAEMMKIVKENLPIERRVLSKQEALEIFASDPYKVELISELPEEEVITAYQQGEFIDLCRGPHVPSTGRIQVFKLLSVAGAYWRGNSNNQMMQRVYGTAFFDKKALKEYIRLREEAKERDHRKLGKELDLFMVSPEVGSGLPFWLPKGATI-RRTIERYIVDKEVSLGYQHVYTPIMGDVELYKTSGHWDHYQEDMFPPMDMGDGEM--LVLRPMNCPHHMMVYKNTIHSYRELPIRIAELGMMHRYEKSGALSGLQRVREMTLNDGHTFVRPDQIKDEFKRTLELMVAVYADF--NITDYRFRLSYRDPNNTDKYFDDDAMWEKAQAMLKAAMDELELDYFEAEGEAAFYGPKLDVQVKTALGTEETLSTIQLDFLLPERFDLTYVGEDGENTH-RPVVIHRGIVSTMERFVAYLTEVYKGAFPTWLAPIQATIIPVSVD--AHGDYAYEIKERLQMK--------------GLRVEVDDRNEKMGYKIRASQTQKIPYQLVVGDKELEDATVNVRRYGSKETAVEDLNIFIDAMEAEVKNYSREN 4YYE Chain:A ((45-439)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLFMTDP-LSPGSMFFLPNGAKIFNKLIEFMKLQQKFKFGFNEVVTPLIYKKTLWEKSGHWENYADDMFK-VETTDEEKEEYGLKPMNCPGHCLIFGKKDRSYNELPLRFSDFSPLHRNEASGALSGLTRLRKFHQDDGHIFCTPSQVKSEIFNSLKLIDIVYNKIFP--SNYFINFSTR----PDHFIGDLKVWNHAEQVLKEILEESGKPWKLNPGDGAFYGPKLDIMVTDHLRKTHQVATIQLDFQLPERFDLKF--KDQDNSYKRPIMIHRATFGSIERFMALLIDSNEGRWPFWLNPYQAVIIPVNTKNVQQLDMCTALQKKLRNELEADDMEPVPLNDWHFNVDLDIRNEPVGYRIKSAILKNYSYLIIVGDEEVQLQKYNIRERDNRKS-----------------------

General information: TITO was launched using: RESULT: Template: 4YYE.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 : 1685 29625 17.58 81.39 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 17.58 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_4YYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YYE-query.scw PDB file : Tito_Scwrl_4YYE.pdb: