Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSLTELISDLKGNENVVNWHEIEPREAKTRPMPESIDERIKAALSKRGIDELYTHQYSAFQY--VQKGESIVTVTPTASGKTLCYNLPVLQSIAQDETNRALYLFPTKALAQDQKSELNEIIDEMGIDIKSFTYDGDTSPAIRQKVRKAGHIVITNPDMLHSAILPHHTKWVSLFENLKYIVIDELHTYRGVFGSHVANV-------IRRLKRICRFYGSDPVFICTSATIANPKELGEQLTGKPMRLVDDNGAPSGRKHFVFYNPPIVNKPLNIRRS---------ATAEVNELAKEFLKNKVQTIVFARSRVRVEIILSHI-QELVKKEIGT-----------------KSIRGYRGG-------YLP------------KERREIERGLREGDILGVVSTNALELGVDIGQLQVCVMT----GYPGSVASAWQQAGRAGRRH----GESLIIMVANSTPIDQYIVRHP----EYFFNRSPE-SARINPENLIILVDHLKCAAYELPFRADEEFGAME---VSDILEYLQEEAVLHRNGE--RYHWASESFPASNISLRSASQENVVIVDQSDIANVRIIGEMDRFSAMTLLHDEAIYLHEGVQYQVEKLDWDHKKAYVRKVDVEYYTDANLAVQLKVLEIDKTKEKS--RTSLHYGDVTVNALPTIFKKIKMTTFENI-GSGPIHLPEEELHTSAAWLEIKTADEDIGEKTLEQLLLGISNVLQHIVPVYIMCDRNDVHVVSQIKAAHT---GLPTIFLYDHYPGGIGLAEEVFKRFSDINEAAKQLITHCPCHDGCPSCIGTEIEGIKAKERILQLLDQMS------- 5AGA Chain:A ((3-827)) --------------DKLLLANW---------------GLPKAVLEKYHSFGVKKMFEWQAECLLLGQVLEGKNLVYSAPTSAGKTLVAELLILKRVLE-MRKKALFILPFVSVAKEKKYYLQSLFQEVGIKVDGYM--GSTSP---SRHFSSLDIAVCTIERANGLINRLIEE--NKMDLLGMVVVDELHMLGDSHRGYLLELLLTKICYITRKSASCQADSNAVQIVGMSATLPNLELVASWL---NAELYHTDFRPVPLLESVKVGNSIYDSSMKLVREFEPMLQVKGDEDHVVSLCYETICDNHSVLLFCPSKKWCEKLADIIAREFYNLHHQASECPPVILEQKELLEVMDQLRRLPSGLDSVLQKTVPWGVAFHHAGLTFEERDIIEGAFRQGLIRVLAATSTLSSGVNLPARRVIIRTPIFGGRPLDILTYKQMVGRAGRKGVDTVGESILICKNSEKSKGIALLQGSLKPVRSCLQRGEEVTGSMIRAILEIIVGGVASTSQDMHTYAACTFLAASMGAIEACVMWLLENEFIQSTEEGKVYHPTHLGSATLSSSLSPADTLDIFADLQRAMKGFVLENDLHILYLVTPMFED----WTTIDWYRFFCLWEKLPTSMKRVAELVGVEEGFLARCVKGKVVARTERQHRQMAIHKRFFTSLVLLDLISEVPLREINQKYGCNRGQIQSLQQSAAVYAGMITVFSNRLGWHNMELLLSQFQKRLTFGIQ-RELCDLVRVSLLNAQRARVLYASGFHT--VADLARANIVEVEVILKNAVPFKSARKEAVEE---RRNMRTIWVTGRKGLTEREAAALIVEEARMILQQDL

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 : 3646 56079 15.38 80.23 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 15.38 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.328

(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: