Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGIPKRRAEAQRRSMLKNLQLISFTDQSAEEQEMCVRQLYDTDISTLEECLLQVTHVCITHPNPNA--------------------------QELLHNFMLWLAGRSLNIALRLAWTVDAVSAFYSST----GFAGRLKHIHDKLESYAINQGQPAVPSDSTSGGDGSRTSSDPEEGLGDVDASVVQRKEVRLKLYNDERTFVTTLTNLSNTLRFFPD-RNYRKDELRRGLRVLNQR---LESMRLVHPLCTSSESVQWIVNISVEDCTVFSSRERAPCLIRYEVIVDDTATMQDPTVTRLRQPDGRFRVRADSDEIFVPAPPPGSEPRAAPLVEASGSGAVEDASPEALQCLHAVFGESKKARMARVRKSSPWGAHPNWSMNAMIVKAGDDLRQEELALQLIHTFQCIWQEAGLTVRVKPYAALPTHRDCGLLEVIEDSASMDSIKKATRVSSIYNYYLKAYDGED--SVLYRKAQQNFVESMAGYSIISYILQIKDRHNGNLMIRRDGSLVHIDFGFLFVTSPGGLNFESAPFKLSQELIDVMGGASSDAFNYFRILVYEALAAARERCEDILALVSILTPNNAMPCFGADPGAAVRQLRGRFRDDLLSEADYAVYAKELIVNSADNWRTRRYDQFQSLQNGIL 4UWH Chain:A ((81-595)) --------------DVEDSLELLSSHYTNPTVRRYAVARLRQADDEDLLMYLLQLVQALK-YENFDDIKNGLEPINSAEIDSSQIITSPLPNLEQDLCTFLISRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQA-------------------------------LL--KGDKSVRVMRSLLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPL----PLE-PQVKIRGIIPETATLFKSAL-MPAQLFFKTE------------------------------------------------------------------------------------------D--GGKYPVIFKHGDDLRQDQLILQIISLMDKLLRKENLDLKLTPYKVLATSTKHGFMQFIQS-VPVAEVLDTE--GSIQNFFRKYAPSENGPNGISAEVMDTYVKSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRDPK---PLPPPMKLNKEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNLFSLMVD-ANIPDIALEPDKTVKKVQDKFRLDLSDE-EAVHYMQSLIDESVHALFAA-------------

General information: TITO was launched using: RESULT: Template: 4UWH.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 : 2226 -7471 -3.36 -16.83 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -3.36 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4UWH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UWH-query.scw PDB file : Tito_Scwrl_4UWH.pdb: