Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMEKKSTGISKWGLVALVVSSSIGSGVFGITSDLASSAAPGPAILSWIIVGIGILALVLSLNHLGEKRPDLDGGIFGYAEASFGKLGGFISGWGYWLSAWLGNVAFATMLMSAMGEFFPIFKGGQNVPSILFASIFIWGLTLLVNNGVEGASVINTIVTICKLVPLFLFLIFVFIAFKVNIFTADFWGNVSDNLVNGTGQQGTIWLQIKGCLMVMMWVFVGIEGASVLANRAKK-RSEAQQASIIGLLCLLFIYILASILPYGVLSQEELATISQPAMANILKGIVGNWGAALINIGLIISIIGSWLSWTMLPAETTMLMARDGLLPKGWGKTNKKNAPTYSLVVTAILTNLFLLTFLVT--DYAYQFAYSLCTAAILICYLLVGIYQVQFSLK-E---GIKKQVVIGGIAVVFELMGIILAGFSYVLLCSIAYLPGFCFYWIACRETKHQITGKEKVMIGLICVAALLSIGLLAVGWIKI 3OB6 Chain:B ((5-403)) ----ADAHKVGLIPVTLMVSGNIMGSGVFLLPANLAS-TG-GIAIYGWLVTIIGALGLSMVYAKMSFLDPS-PGGSYAYARRCFGPFLGYQTNVLYWLACWIGAIAMVVIGVGYLSYFFPILK--DPLVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIVGIAVFGWFWFRGETYMAAWNVS-----------GLGTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSAS-PFGDAARMALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLL-GHGHFGKARPAYLAVTTIAFLYCIWAVV-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OB6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2193 -322679 -147.14 -823.16 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -147.14 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3OB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OB6-query.scw PDB file : Tito_Scwrl_3OB6.pdb: