Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSSIIVVGGGLAGLMATIKAAESGMAVKLFSIVPVKRSHSVCAQGGINGAVNTKGEGDSPWEHFDDTVYGGDFLANQPPVKAMCEAAPSIIHLLDRMGVMFNRTPEGLLDFRRFGGTQHHRTAYAGATTGQQLLYALDE------QVRRYEVAGLVTKYEGWEFLGAVLDDDRTCRGIVAQNLTNMQIESFRSDAVIMATGGPGIIFGKSTNSMINTGSAASIVYQQGAYYANGEFIQIHPTAIPGDDKLRLMSESARGEGGRVWTYKDG---------KPWYFLEEKYPAYGNLVPRDIATREIF-DVCVNQKLGINGENMVYLDLSHKDPKELDIKLGGIIEIYEKFMGDDPRKLPMKIFPAVHYSMGGLWVDYDQMTNIPGLFAAGECD-YSMHGGNRLGANSLLSAIYGGMVAGPNAVKYVNGLESSAEDMSSSLFDAHVKKEEEKWADIMSMDGTENAYVLHKELGEWMTANVTVVRHNDKLLKTDDKIQELMERFKKININDTTKWSNQGAMFTRQFSNMLQLARVITLGAYNRNESRGAHYKPD--YPERNDDEWLKTTMAKHVSPYEAPEFEYQDVDVSLITPRKRDYSKKKVAK 3P4S Chain:M ((33-576)) ----------------------------IALISKVYPMRSHTVAAEGG---SAAVAQDHDSFEYHFHDTVAGGDWLCEQDVVDYFVHHCPTEMTQLELWGCPWSRRPDGSVNVRRFGGMKIERTWFAADKTGFHMLHTLFQTSLQFPQIQRFDE----------HFVLDILVDDGHVRGLVAMNMMEGTLVQIRANAVVMATGGAGRVYRYNTNGGIVTGDGMGMALSHGVPLRDMEFVQYHPTGLPGSGIL--MTEGCRGEGG-ILVNKNGYRYLQDYGMGPETPLGEPKNKYMELGPRDKVSQAFWHEWRKGNTISTPRGDVVYLDLRHLGEKKLHERLPFICELAKAYVGVDPVKEPIPVRPTAHYTMGGIETDQNCETRIKGLFAVGECSSVGLHGANRLGSNSLAELVVFGRLAGEQATERA----ATAGNGNEAAIEAQAAGVEQRLKDLVNQDGGENWAKIRDEMGLAMEEGCGIYRTPELMQKTIDKLAELQERFKRVRITDTSSVFNTDLLYTIELGHGLNVAECMAHSAMARKESRGAHQRLDEGCTERDDVNFLKHTLAFRDAD-GTTRLEYSDVKITTLPP------------

General information: TITO was launched using: RESULT: Template: 3P4S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain M - contact count / total energy / energy per contact / energy per residue : 2951 39042 13.23 74.37 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain M : 0.75 3D Compatibility (PKB) : 13.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_3P4S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P4S-query.scw PDB file : Tito_Scwrl_3P4S.pdb: