Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MKLGARIFKTGIAITLA-LYLASWIGLPAPIFAGIAAIFAIQPSIYRSFLIIIDQVQANIIGA------------VIATVFGLIFGPSPIMIGLTAVIVITIMLKLKIE-----------------H-TISIAL-VTVIAILESAGDD----FLMFALIR---TSTVILGVL-SSFIVNLVFLPPKYETKLIHNTVENTEEIMKWIRLSMRQSTEHSILKEDIEKLKEKM-IKLDQTYLLYKEERSYFKK-TTYVKSRKLVLFRQAIITANRALDTLKKLHRLENEIYHMPE--------EFQETLTEELDYLLYWHERILMRFVGKIKPHDDAVEEGIRYKQLLTKSFLKN-----QQNTDEELIDYNMLNIMAS--------------AVEYREQLEHLETLITSFQTYHPKDCEIETEE 3PFO Chain:A ((8-433)) TKSDAITQSLRAAVDRNFNDQVAFLQRMVQFRSVRGEEAPQQEWLAQQFADRGYKVDTFSLADVDIASHPKAAPMDTIDPAGSMQVVATADSDGKGRSLILQGHIDVVPEGPVDLWSDPPYEAKVRDGWMIGRGAQDMKGGVSAMIFALDAIRTAGYAPDARVHVQTVTEEESTGNGALSTLMRGYRADACLIPEPTGHTLTRAQV-----GAVWFRLRVRGTPVHVAYSETGTSAILSAMHLIRAFEEYTKELNAQAVRDPWFGQVKNPIKFNVGIIKGGDWASSTAAWCELDCRLGLLTGDTPQEAMRGIEKCLADAQATDSFLSENPAELVWSGFQADPAVCEPGGVAEDVLTAAHKAAFNAPLDARLSTAVNDTRYYSVDYGIPALCYGPYGQGPHAFDERIDLESLRKTTLSIALFVAEWCGLRKL-

General information: TITO was launched using: RESULT: Template: 3PFO.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 : 1738 -183148 -105.38 -527.80 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -105.38 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.218

(partial model without unconserved sides chains): PDB file : Tito_3PFO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PFO-query.scw PDB file : Tito_Scwrl_3PFO.pdb: