Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTAYQDARSWIHGRLKFGVKPGLGRMKQLMARLGH----PEKKIRAFHVAGTNGKGSTVAFIRSMLQEAGYTVGTFTSPYIITFNERISVNGIPISDEEWTALVNQMKPHVEALDQTEYGQPTEFEIMTACAFLYFAEFHKVDFVIFETGLGGRFDS---TNVVEPLLTVITSIGHDHMNILGNTIEEIAGEKAGIIKE---GIPIVTAVTQPEALQVIRHEAERHAAPFQSLHDACVIFNEE--A-LPAGEQFSFKTEEKCYEDIRTSLIGTHQRQNAALSILAAEWLNKENIAHISDEALRSGLVK-AAWPGRLELVQEHPPVYLDG--AHNEEGVEKLAETMKQRFANSRISVVFSALK------DKPYQNMIKRLET-IAHAIHFASFDFPRASLAKDLY---DASEISNKSWSEDPDDVIKFIESK----KGSNEIVLITGSLYFISDIRKRLK 4QDI Chain:A ((101-459)) -------------------------DTRLALGQLGAYRREQNAQLKVIALTGSSGKTTTKEMLGSILSRLAPTLI---TRG--NLNNDL------------------------------GVPMMLLE---------L-RK-EHQYAVMELGANHQGEIDYTSKIVQPHVAGILNIGTAHLGEFG-GRDGICRAKSEIYRHILPQGVAIVPQQDDFTAE-IREAAK--SHQIMSFGEG-GDVFATEIELLPQSANFQLHTP-QGSSFVRLPFAGEHNVQNATAAVAFALALG------VSLEDIVKGLEQAQGAKGRLNFIQKAPHLFIDDTYNANPTSMRAAAQVLLQQN--GIKVMVMGDIGELGDSSWQEHHDLGRDLAELPLDHIVAVGQFA---SAALEGAGLHSTKLKAFQTQAEALPF----LINLIQTHQPQSMSFLFKGSRFT---------

General information: TITO was launched using: RESULT: Template: 4QDI.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 : 1840 41416 22.51 125.88 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 22.51 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_4QDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QDI-query.scw PDB file : Tito_Scwrl_4QDI.pdb: