Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTIAINAGSSSLKWQLYLMPEEKVLAKGLIERIGLKDSISTVKFDGRSEQQILDIENHIQAVKILLDDLIRFDIIKAYDEITGVGHRVVAGGEYFKESTVVEGDVLEKVEELSLLAPLHNPANAAGVRAFKELLPDITSVVVFDTSFHTSMPEKAYRYPLPTKYYTENKVRKYGAHGTSHQFVAGEAAKLLGRPLEDLKLITCHIGNGGSITAVKAGKSVDTSMGFTPLGGIMMGTRTGDIDPAIIPYLMQYTEDFNTPEDISRVLNRESGLLGVSANSSDMRDIEAAVAEGNHEASLAYEMYVDRIQKHIGQYLAVLNGADAIVFTAGVGENAESFRRDVISGISWFGCDVDDEKNVFGVTGD----ISTEAAKIRVLVIPTDEELVIARDVERLKK 4IJN Chain:A ((22-392)) MVTVLVVNSGSSSLKYAVVRPASGEFLADGIIEEIGSGA-----------------VPDHDAALRAAFDELAAAGLHLEDLDLKAVGHRMVHGGKTFYKPSVVDDELIAKARELSPLAPLHNPPAIKGIEVARKLLPDLPHIAVFDTAFFHDLPAPASTYAIDRELAETWHIKRYGFHGTSHEYVSQQAAIFLDRPLESLNQIVLHLGNGASASAVAGGKAVDTSMGLTPMEGLVMGTRSGDIDPGVIMYLWR-TAGMSV-DDIESMLNRRSGVLGL-GGASDFRKLRELIESGDEHAKLAYDVYIHRLRKYIGAYMAVLGRTDVISFTAGVGENVPPVRRDALAGLGGLGIEIDDALN--SAKSDEPRLISTPDSRVTVLVVPTNEELAIAR-------

General information: TITO was launched using: RESULT: Template: 4IJN.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 : 1983 -187084 -94.34 -509.77 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -94.34 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_4IJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IJN-query.scw PDB file : Tito_Scwrl_4IJN.pdb: