Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MENIIEINYNQTGKSKKTNEYGMREMQARAFEK---RNSQYLLVKAPPASGKSRALMFIGLDKLINQGLRKVIVAVPERSIGSSFKNTDLKSYGFFENWKVDPRNNLTVGGDNSKVKSFVRFMESDDQVLICTHSTLRFAFEKIDDKAFDN--CLLAIDEFHHVSADVNSRLGELLRSIIHNSSA------------HIVAMTGS--------------YFRGDSVPILLPEDEELFDKVTYSYYEQLDGYE-YLKGFGIGYHFYQGQYTSAINE----VLDTNKKTIVHIPNVNSGESTKDKYD---------EVGKILDMIGEVE-------YQDDDTGIIYVKRHSDGKTLKIADLVDDQVGRE--NVVAYLRNI--------------------EALDDLDIIIALGMA------KEGFDWPFCEHTLTVGYRGSLTE----------------------IVQII--GRCTRDSYNKTYAQFTNLIAMPDAKDEVV----------------TYTVNTMLKAISAS-LLMEQVLTPDFKFKRRRNES----------------EKSSTTGELFVKGLKEPSTENVKKIIEND--INDLKAKIMQDSQVQKTFSGEVDPKVLNKVLIPKVIQKV-----YPNLSDE------EIEEVRQHVVLDTVMKGAKSEVVGSKEFIRMADKF-----INIEDLDINLIDSINPFQKAFEVLSKELNSPVLKLIQETIDAKRINF---------------DEDELVFIWPKV------------------------- 5AGA Chain:A ((3-827)) DKLLLANWGLPKAVLEKYHSFGVKK------MFEWQAECLLLGQVLEGKNLVYSAPTSAGKTLVAELLILKRVLEMR-KKALFILPFVSVAKE-KKYYLQSLFQEVGIKVDGY-----MGSTSPSRHFSSL-----DIAVCTIERANGLINRLIEENKMDLLGMVVVDELHMLGDSHRGYLLELLLTKICYITRKSASCQADSNAVQIVGMSATLPNLELVASWLNAELYHTDFRPVPLLESVKVGNSIYDSSMKLVREFEPMLQVKGDEDHVVSLCYETICDNHSVLLFCPSKKWCEKLADIIAREFYNLHHQASECPPVILEQKELLEVMDQLRRLPSGLDSVLQKTVPWGVAFHHAGLTFEERDIIEGAFRQGLIRVLAATSTLSSGVNLPARRVIIRTPIFGGRPLDILTYKQMVGRAGRKGVDTVGESILICKNSEKSKGIALLQGSLKPVRSCLQRGEEVTGSMIRAILEIIVGGVASTSQDMHTYAACTFLAASMGAIEACVMWLLENEFIQSTEEGKVYHPTHLGSATLSSSLSPADTLDIFADLQRAMKGFVLENDLHILYLVTPMFEDWTTIDWYRFFCLWEKLPTSMKRVAELVGVEEGFLARCVKGKVVARTERQHRQMAIHKRFFTSLVLLDLISEVPLREINQKYGCNRGQIQSLQQSAAVYAGMITVFSNRLGWHNMELLLSQFQKRLTFGIQRELCDLVRVSLLNAQRARVLYASGFHTVADLARANIVEVEVILKNAVPFKSARKEAVEERRNMRTIWVTGRKGLTEREAAALIVEEARMILQQDL

General information: TITO was launched using: RESULT: Template: 5AGA.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 : 2318 -219864 -94.85 -378.42 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -94.85 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.238

(partial model without unconserved sides chains): PDB file : Tito_5AGA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AGA-query.scw PDB file : Tito_Scwrl_5AGA.pdb: