Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINCGAKMLIQRGGLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFGQLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRRATDVPIVAITGSNAKSTVTTLIGLMAKDAGKKVAVGGNL----GRPALDL-LKDQPELLVLELSSFQLETT----SHLNAEVAVVLNMSEDHLDRHGNMLGYHQAKHRIFQGAK--KVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLR---DADGTLWLARGLQRLIKSSDLYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHRCEYVKTVHDVRYYNDSKGTNVGATLAAIDGLGAAIEVKKGKVALILGGQGK-G----QDFSPLRSSIEK-YAKVVVLIGEDAPVIEQAIQGA---TKILHA------ATLKEAVELCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV 3ZM6 Chain:A ((99-445)) --------------------------------------------------------------------------------------------------------------TVDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPIDKKVVRFGQGA----ELEITDLVERKDSLTFKANF---LEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQHLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLGAHDQILLKGSNS-MNL-------------------

General information: TITO was launched using: RESULT: Template: 3ZM6.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 : 1627 6731 4.14 21.17 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 4.14 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3ZM6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZM6-query.scw PDB file : Tito_Scwrl_3ZM6.pdb: