Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINCGAKMLIQRGGLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFGQLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRR-A-T-DVPIVAITGSNAKSTVTTLIGLMAKDAGKKVAVG--------GN-----LGRPA----LDLL----KDQPELLVLELSSFQLET--TSHLNAEVAVVLNMSEDHLDRHGNMLGYHQAKHRIFQGAK---KVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLR---DADGTLWLARGLQRLIKSSDLYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHRCEYVKTV--HDVRYYNDSKGTNVGATLAAIDGLGAAIEVKKGKVALILGGQGK-GQDFSPLRSSIEK-YAKVVVLIGED-----APVIEQAIQGA----TKILHAATLKEAVELCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV 4BUB Chain:B ((61-456)) ----------------------------------------------------------------------KGAVAVVVEREIDLDFPYIQV--FDSRYFEAKVASLFFEDPWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAVKRILGNSYYDDITTPDAITILSAMKENREGGGKFFALEVSSHALVQQRVEGVRFDVGIFTNISRDHLDFHGTFENYLKAKLHLFDLLKDDGVAVLNESLADAFN---RKSRKITFGTSKN--ADYRLGNIEVSWEGTQFVLETPDG-LLKVFTRAIGDFNAYNAAAAIAALHQLGYDPKDLASSLETFTGVEGRFEVVRGAKKIGLNVVVDF-AHSPDALEKLLKNVRKI---SQGRVIVVFGAGGNSDRGKRPMMSEVASKLADVVILTTDDPRGEDPEQIMEDLIKGIDKRKPYLVLFDRREAIETALTIANRGDSVVIAGRGHE----------------------

General information: TITO was launched using: RESULT: Template: 4BUB.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 : 1818 27519 15.14 78.40 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 15.14 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4BUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BUB-query.scw PDB file : Tito_Scwrl_4BUB.pdb: