Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLQKDKVIKWVRFTPPQVLAIGFFLTIIIGAVLLMLPISTTKPLSWIDALFTAASATTVTGLAVVDTGTQFTVFGQTVIMGLIQIGGLGFMTFAVLIVMILGKKIGLKERMLVQEALNQPT-IGGVIGLVKVLFLFSISIELIAALILSIRLVPQYGWSSGLFASLFHAISAFNNAGFSLWPDNLMSYVGDPTVNLVITFLFITGGIGFTVLFDVMKNR--RFKTFSLHTKLMLTGTLMLNAIAMLTVFI--LEYSNPGTLGHLHIVDKLWASYFQAVTP-RTAGFNSLDFGSMREGTIVFTLLLMFIGAGSASTASGIKLTTFIVILTSVIAYLRGKKET------VIFRRSIKYPIIIKALAVSVTSLFIVFLGIFALTITEQAPFLQIVFETFSAFGTVGLTMGLT----PELTTAGKCIIIVIMFIGRIGPLTFVFSFAKTEQSNIRYPDGEVFTG 3PJZ Chain:A ((61-483)) -------KHELKSRDGFLIVVLFWTVLGSAGSLPFLIAD-NP-NISVTDAFFESFSALTTTGATVIVGLDELPKAILFYRQFLQWFGGMGIIVLAVAILPVLG-IG---G------------MTPRIAETAKALWYIYLSLTIACAVAF--WL-A----GMTPFDAISHSFSTIAIGGFSTHDASMGYFD-SYAINLITVVFLLISACNFTLHFAAFASGGVHPKYYWKDPE--FRAFIFIQVLLFLVCFLLLLKHHS-----YTSPYDAFDQALFQTVSISTTAGFTTTGFADWPLFLPVLLLFSSFIGGCAGSTGGGMKVIRILLLTLQGARELKRLVHPRAVYTIKVGGSALPQRVVDAVWGFFSAYALVFVVCMLGLI-ATGMDELSAFSAVAATLNNLGPGLGEVALHFGDVNDKAKWVLIVSMLFGRLEIFTLLILLTPTFW-------------

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 : 1995 -253668 -127.15 -648.77 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -127.15 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.291

(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: