Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIIAINAGSSSLKFQLFEMPSETVLTKGLVERIGIADSVFTISVNGEKNTEVTDIPDHAVAVKMLLNKLTEFGI-IKDLNEIDGIGHRVVHGGEKFSDSVLLTDETIKEIEDISELAPLHNPANIVGIKAFKEVLPNVPAVAVFDTAFHQTMPEQSYLYSLPYEYYEKFGIRKYGFHGTSHKYVTERAAELLGRPLKDLRLISCHLGNGASIAAVEGGKSIDTSMGFTPLAGVAMGTRSGNIDPALIPYIMEKTGQTADEVLNTLNKKSGLLGISGFSSDLRDIVEATKEGNERAETALEVFASRIHKYIGSYAARMSGVDAIIFTAGIGENSVEVRERVLRGLEFMGVYWDPALNNVRGEEA-FISYPHSPVKVMIIPTDEEVMIARDVVRLAK 4IJN Chain:B ((23-395)) -VTVLVVNSGSSSLKYAVVRPASGEFLADGIIEEIGSGA-----------------VPDHDAALRAAFDELAAAGLHLEDLD-LKAVGHRMVHGGKTFYKPSVVDDELIAKARELSPLAPLHNPPAIKGIEVARKLLPDLPHIAVFDTAFFHDLPAPASTYAIDRELAETWHIKRYGFHGTSHEYVSQQAAIFLDRPLESLNQIVLHLGNGASASAVAGGKAVDTSMGLTPMEGLVMGTRSGDIDPGVIMYLWRTAGMSVDDIESMLNRRSGVLGLGG-ASDFRKLRELIESGDEHAKLAYDVYIHRLRKYIGAYMAVLGRTDVISFTAGVGENVPPVRRDALAGLGGLGIEIDDALNSAKSDEPRLISTPDSRVTVLVVPTNEELAIARACV----

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 B - contact count / total energy / energy per contact / energy per residue : 2050 -66069 -32.23 -178.08 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -32.23 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.641

(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: