Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILAICGIELSLIFKKPQNYLIMFAAPLLLTFVFGSMLSGNDDKVRLAIVDQDDTILSQHYIRQLKAHDDMYVFENMSESKASEKLKQKK------IAGIIVISRSFQTQLEKGKHPELIFRHGPELSEAPMVKQYAESALATLNIQVTAAKTASQTAGENWKAAYKTVFAKKHEDIVPAVTRQTLSDKKEGAEASDTASRAAGFSILFVMLTMMGAAGTILEARKNGVWSRLLTASVSRAEIGAGYVLSFFVIGWIQFGILLLSTHWLFGINWGNPAAVIVLVSLFLLTVVGIGLMIAANVRTPEQQLAFGNLFVIATCMVSGMYWPIDIEPKFMQSIAEFLPQKWAMSGLTEIIANGARVTDILGICGILLAFAAITFAAGLKALRA 2QKX Chain:A ((150-221)) ---------------------------------FGYGRILRTQDHEV-MAIVEQTDATPSQREIREVNA--GVYAFDIAALRSALSRLSSNNAQQELYLTDVIAILRS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QKX.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 : 180 -19505 -108.36 -295.53 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -108.36 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_2QKX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QKX-query.scw PDB file : Tito_Scwrl_2QKX.pdb: