Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILAICGIELSLIFKKPQNYLIMFAAPLLLTFVFGSMLSGNDDKVRLAIVDQDDTILSQHYIRQLKAHDDMYVFENMSESKASEKLKQKK------IAGIIVISRSFQTQLEKGKHPELIFRHGPELSEAPMVKQYAESALATLNIQVTAAKTASQTAGENWKAAYKTVFAKKHEDIVPAVTRQTLSDKKEGAEASDTASRAAGFSILFVMLTMMGAAGTILEARKNGVWSRLLTASVSRAEIGAGYVLSFFVIGWIQFGILLLSTHWLFGINWGNPAAVIVLVSLFLLTVVGIGLMIAANVRTPEQQLAFGNLFVIATCMVSGMYWPIDIEPKFMQSIAEFLPQKWAMSGLTEIIANGARVTDILGICGILLAFAAITFAAGLKALRA 3D8V Chain:A ((148-220)) ---------------------------------FGYGRILRTQDHEV-MAIVEQTDATPSQREIREVNA--GVYAFDIAALRSALSRLSSNNAQQELYLTDVIAILRS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3D8V.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 : 187 -19650 -105.08 -297.72 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -105.08 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.256

(partial model without unconserved sides chains): PDB file : Tito_3D8V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D8V-query.scw PDB file : Tito_Scwrl_3D8V.pdb: