Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSSIIVVGGGLAGLMATIKAAESGMAVKLFSIVPVKRSHSVCAQGGINGAVNTK--GEGDSPWEHFDDTVYGGDFLANQPPVKAMCEAAPSIIHLLDRMGVMFNRTPEGLLD---------------------FRRFGGTQHHRTAYAGATTGQQLLYALDEQVRRYEVAGLVTKYEGWEFLGAVLDDDRTCRGIVAQNLTNMQIESFRSDAVIMATGGPGIIFGKSTNSMINTGSAASIVYQQG-AYYANGEFIQIHPTAIPGDDKLRLMSESARGEGGRVWTYKDGKPWYFLEEKYPAYGNLVPRDIATREIFDVCVNQKLGING--ENMVYLDLSHKDPKELDIKLGGIIEIYEKFMGDDPRKLPMKIFPAVHYSMGGLWVDYDQMTNIPGLFAAGECDY-SMHGGNRLGANSLLSAIYGGMVAGPNAVKYVNGLESSAEDMSSSLFDAHVKKEEEKWADIMS-MDGTENAYVLHKELGEWMTANVTVVRHNDKLLKTDDKIQELMERFKKININDTTKWSNQGAMFTRQFSNMLQLARVITLGAYNRNESRGAHYKPDYPERNDDEWLKTTMAKHVSP-YEAPEFEYQDVDV--SLITPRKRDYSKKKVAK 2BS2 Chain:A ((4-601)) -QYCDSLVIGGGLAGLRAAVATQQKGLSTIVLSLIPVKRSHSAAAQGGMQASLGNSKMSDGDNEDLHFMDTVKGSDWGCDQKVARMFVNTAPKAIRELAAWGVPWTRIHKGDRMAIINAQKTTITEEDFRHGLIHSRDFGGTKKWRTCYTADATGHTMLFAVANEC----LKLGVSIQDRKEAIALIHQD-GKCYGAVVRDLVTGDIIAYVAKGTLIATGGYGRIYKNTTNAVVCEGTGTAIALETGIAQLGNMEAVQFHPTPLFPSG--ILLTEGCRGDGGI-LRDVDGHR--FMPDYEPEKKELASRDVVSRRMIEHIR-KGKGVQSPYGQHLWLDISILGRKHIETNLRDVQEICEYFAGIDPAEKWAPVLPMQHYSMGGIRTDYRGEAKLKGLFSAGEAACWDMHGFNRLGGNSVSEAVVAGMIVGEYFAEHCANTQVD-LETKTL--EKFVKGQE-AYMKSLVESKGTEDVFKIKNRMKDVMDDNVGIFRDGPHLEKAVKELEELYKKSKNVGIKNKRLHANPELEEAYRVPMMLKVALCVAKGALDRTESRGAHNREDYPKRDDINWLNRTLASWPNPEQTLPTLEYEALDVNEMEIAPGYRGYGAKG---

General information: TITO was launched using: RESULT: Template: 2BS2.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 : 3670 93515 25.48 164.93 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 25.48 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_2BS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BS2-query.scw PDB file : Tito_Scwrl_2BS2.pdb: