Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRPDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQF-------TSMTILYKPV--KNADADRFVREARS--------REQANL-VPTD-----ESGVRQIFKALK-QGETTVILPDHTPNVGGD-MVNYFGVPLASSNLSA----KLIQKTKAK--ALFLYAIRNE---------NDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM 1IUQ Chain:A ((126-312)) -------------------------------------------------------------------------------------------------------------LQQGHNVVLISNHQTEADPAIISLLLEKTNPYIAENTIFVAGDRVLADPLCKP-FSIGRNLICVYSKKHMFDIPELTETKRKANTRSLKEMALLLRGGSQLIWIAPSGGRDRPDPSTGEW--YPAPFDASSVDNMRRLIQHSDVPGHLFPLALLCHDIMPPPRVIAFNGAGLSVAPEISF------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1IUQ.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 : 489 12310 25.17 89.85 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 25.17 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_1IUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IUQ-query.scw PDB file : Tito_Scwrl_1IUQ.pdb: