Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRPDSKSMNYQLLKTFSRQ-PIQFG-RFLARLLAGLVNTLKITRTSKSIEL-NLRIA-L-PYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTD--ESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPAL-DNIYNIDPTEALK-IVDRLKAEALKTSTQPEPIQTSVM 4G3A Chain:A ((5-231)) --KPSD-------LDGFIQQMP-KADMRVKVQLAEDLVTFLSDDTNSIVCTDMGFLIDGLMPWLTGSH-----FKIAQKSLEAFSELIKRLGSDFNAY-------------------------------TATVLPHVIDRLGD-----------------SRDTVREKAQLLLRDLMEHRVLPPQALIDKLATSCF------------------KHKNAKVREEFLQ-TIVNALHEY--GTQQLSVRVYIPPVCALLG-----DPTVNVREAAIQTLVEIYKHVG---DRLRPDLRRMDDV----PASKLAMLEQKFDQVKLE-------------

General information: TITO was launched using: RESULT: Template: 4G3A.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 : 934 21598 23.12 99.07 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 23.12 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_4G3A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G3A-query.scw PDB file : Tito_Scwrl_4G3A.pdb: