Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLQKDKVIKWVRFTPPQVLAIGFFLTIIIGAVLLMLPISTTKPLSWIDALFTAASATTVTGLAVVDTGTQFTVFGQTVIMGLIQIGGLGFMTFAVLIVMILGKKIGLKERMLVQEALNQPTIGGVIGLVKVLFLFSISIELIAALILSIRLVPQYGWSSGLFASLFHAISAFNNAGFSLWPDNLMSYVGDPTVNLVITFLFITGGIGFTVLFDVM--------KNRRFK---TFSLHTKLMLTGTLMLNAIAMLTVFILEYSNPGTLGHLHIVDKLWASYFQAVTP-RTAGFNSLDFGS--M-REGTIVFTLLLMFIGAGSASTASGIKLTTFIVILTSVIAYLRGKKETVIFRRSIKYPIIIKALAVSVTSLFIVFLGIFALTITE-------QAPFLQIVFETFSAFGTVGLTMGLTPELTTAGKCIIIVIMFIGR--------IGPLTFVFSFAKTEQ--SNIRYPDGEVFTG 3PJZ Chain:A ((65-380)) ----------------------------------------------------------------------------------------------------------------------------KSRDGFLIVVLFWTVLGSAGSLPFL--IAD--NPNISVTDAFFESFSALTTTGATVIVG-LDEL--PKAILFYRQFLQWFGGMGIIVLAVAILPVLGIGG------MTPRIAETAKALWYIYLSLTIACAVAFWL---------A----GMTPFDAISHSFSTIAIGGFSTHDASMGYFDSYAINLITVVFLLISACNFT-----------LHFAAFAS---GGVHP---KYYWKDPEFRAFIFIQV---LLFLVCFLLL--LKHHSYTSPYDAFDQALFQTVSISTTAGFTTTGFADWPLFLPVLLLFSSFIGGCAGSTGGGMKVIRILLLTLQGARELKRLVHPRA-----

General information: TITO was launched using: RESULT: Template: 3PJZ.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 : 1159 -154241 -133.08 -575.52 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -133.08 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.297

(partial model without unconserved sides chains): PDB file : Tito_3PJZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PJZ-query.scw PDB file : Tito_Scwrl_3PJZ.pdb: