Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDQQQIIAVAEAVLTQRYGGQQHLTEPEELSGASGTVVLRLRVANNPFLSYRSVVVKYSPQTDDPIDDAAFLREVVAYQFTTSLSEEARPGPVMLGYDLEQHAIILTDSGDGDTLATLLENS--------DEEQRIRLLRNLGTSLGKMHAGTAGAELSFNTLLARMVRARDGAREIQAMRESMLENRILDGLEIVRRAGIDVPADVADIAGTVQVH-MLHGESRAFTPFDLSPDNIIFA-D-RT-QFLDYEWAGFRDVIFDVAGVIAGFPQYISARPISEAETKVFLEAWIAEVAGVWPALQNTETLHSRITAALVGWAFFSVSLLYLDGEEPRGTTRYGGGWIMADNGNYELVQDPEALEEDVERGASVLRSPAHTDFTAVEKAIRRDIGDAFSALAWYAAAGDTPRNAVIADFASHVAERLK 5IWU Chain:A ((6-256)) --------KQVIEIAK-KHNLFLKEETIQFNESGLDFQAVFAQDNN-----GIDWVLRLPRREDV---MPRTKVEKQALDLVNKYA-ISFQAPNWIIYT--EELIAYKKLD-GVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHT------PEEARMSMKQRMD-----A---VRAKF--GVGENLWNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKDANVTGLIDWTEAKVTDVSHDFIFNYRAF---------GEEGLEALILAYKEIGG---------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 984 -49088 -49.89 -205.39 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -49.89 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: