Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MTDITLKTPVEMRNVQLK------VYDNTDNSILIDTQVASLTSYDIKLPSTKLNRLYRIEVTTQGSSQVFDPTKSEYQNISGVYHAFITPSSISNKTQLISPSSEAIYQRAVIRSGQLPNETII---PTRIEQLHVDLASQDVYRSLLNAFKDTNIPSLSPASTLTILNLLKYSTTKPSTYVDSYLCFGYLQYWSSIHNTNSPYQDLTQSLATDLKDGYLDGKKLIGDKTSFTPIFTSAPDNIDPAKNTLLDIAANQKVTRDYFATNLRAATFKLADLQDQSHLDPIGYDLLDKK-QYSGII-PAGNTSEFFRID-GAGDYRRAVGFSGITATCNGSAYPCKQGLTSINISDPKLPATDYLVGHYEDSTTGCQLNFRANGQIELIKGSQSYRSALSADSTDKLLQTDAASYSY-LLNSSSSEPNNSTQQYNFIQLHIKANKIVSAQAGLDSRKAPDVLQTTQLEYSFS------- 4J1Q Chain:A ((20-445)) HMERLMLEPVWEKQNEELSYTEHIIVLFETERSVTDSIASHMKDARVITLNEAVGHIAERYQCYMQNIFELLQSKVRKLSAGRIIIQAIVPL----EKEKQLFAGVSGLFKTAEIEFSKLTAQVIEIEKPEEMIDLHLKLKDDS------RRPFDKQIRYEAGYRFVKGWREMVDTLHMPWRDEGVYLITG---------GAGSLGLLFAKEIANRTGR---------------STIVLTGRSVLSEDKENELEALRSIGA----------EVVYREADVSDQHAVRHLLEEIKERYGTLNGIIHGAGSSKDRFIIHKTNEEFQEVL-------------QPKVSGLLHVDECSKDFPLDFFIFFSSVSGCLGNAGQADYAAANSFMDAFAEYRRSLAASKKR---FGSTISFNWPLWEEGGMQVGAEDEKRMLKTTGMVPMPTDSGLKAFYQGIVSDKPQVFVMEGQLQKMKQKLL

General information: TITO was launched using: RESULT: Template: 4J1Q.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 : 2183 114222 52.32 288.44 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 52.32 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_4J1Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J1Q-query.scw PDB file : Tito_Scwrl_4J1Q.pdb: