Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLVNEMILVLDFGSQYNQLITRRIREFGVYSELHPHTLTAEEIKKMNPKGIILSGGPNSVYDENSFRCDEKIFEL----DIPVLGICYGMQLMTHYLGGKVEAASQREYGKANIRI---------------EGTPDLFRD--LPNEQ-----------VVWMSHGDLVVEVPEGFTVDATSHHCPNSAMSKADKKWYGVQFHPEVRHSEYGNDLLKNFVFGVCECEGEWSMENFIEIEMQKIRETVGDKQVLCALSGGVDSSVVAVLIHKAIGDQLTCIFVDHGLLRKGEAEGVMKTFSEGF-NMNVIKVDAKDRFLNKLKGVSDPEQKRKIIGNEFIYVFDDEADKLKGID----YLAQGTLYTDIIESGTAT--AQTIKSHHNVGGLPEDMQFELIEPLNTLFKDEVRALGTELGIPDEIVWRQPFPGPGLGIRVLGEVTEEKLEIVRESDAILREEIANHGLERDIWQYFTVLPDIRSVGVMGDARTYDYTIGIRAVTSIDGMTSDWARIPWDVLEVISTRIVNEVKHINRVVYDITSKPPATIEWE 4WIO Chain:A ((21-567)) --------ILVLNFGSQYFHLIVKRLNNIKIFSETKDYGVELKDIKDMNIKGVILSGGPYSVTEAGSPHLKKEVFEYFLEKKIPIFGIAYGMQEIAVQMNGEVKKSKTSEYGCTDVNILRNDNINNITYCRNFSSAMDLYSNYKLMNE-CLFENIKSDITTVWMNHNDEVTKIPENFYLVSSSENCLICSIYNKEYNIYGVQYHPEVYESLDGELMFYNFAYNICKCKKQFDPIRYHELELKNIEKYKHDHYVIAAMSGGIDSTVAAAYTHKIFKERFFGIFIDNGLLRKNEAENVYTFLKSTFPDMNITKIDASENFLSNLQGVTDPEQKRKIIGKLFIEEFEKAVNNI-DIDINKTFLLQGTLYPDIIESKCSKNLSDTIKTHH-------NLKFKLFEPFKYLFKDDVKTLSRELNLPEEITNRHPFPGPGLAIRVIGEINKHKLNILREVDDIFINDLKQYGLYNQISQAFAVLLS------------YDYVCVLRAVKTSSFMTANWYQIPYDILDKITTRILSEVKGVNRILYDVSSKPPATIEFE

General information: TITO was launched using: RESULT: Template: 4WIO.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 : 2482 -304782 -122.80 -629.71 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -122.80 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4WIO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WIO-query.scw PDB file : Tito_Scwrl_4WIO.pdb: