Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRHSRHSMGLTLLAAPRATPPMKAAAGVSPMKTPAAHEQEVPMHPPEGRHQPLSSRCSSSPAWLRKVKHVGTAARNVLCRLDICWAVFYFVFLVCVGSVSSSISYRLVSRSLIEAGRSLHENRITTVNKLIDQSMDRVDDMAGGLLTLYMKTQFLMQSEKTLSVLCALLERYDEARNYRAFSVISLEQLEMISCWRGSAEADAGGPLIGAISLNHTVNATYYVNRSNYMLNRPLQVSAVIPEGNGTVAALVSNYAASELIEYTQAYYKGSIDSVDIRLRWLQPSSHPHLIYYNYPAGLIYRSLKLPTNVSITDCTQVHIDGARLALNTIGEAKSGFLLAVFINQSLADADPLIMSNNWGQQTVHDNIIFPFSEHAPTAYLKSSNVSHPLMREALKHVDLSRMRDPGYKHSVDFRYNDARAVITVWAYTSCHGLTLPLVYVNSQNTVTGPYLRLHDTLNGVLAAVMVLVSLVFWLFVQLYFAAPLREITRLLNCSVQRGARALYRAGKHGIGALAEVRALGNAHNAAMRQLREVDAFVPAAVRKELPRGTLPAPLTVPIETTLAGLNVVMGSSENRAAHLARHLSTVVYITVRPPQPPPVASHSSSRTPAPLSTQPAGHDAAAITPRCKQRLSVMVQRAVHAVNATSSGPFATPAALEAFASVVHELAHTHRGTVLRLRPDTCILHFHAAVRAHLLPRQEVQLVNAADVDVVTEELAQQDARDAAAFALALLSWVDEQQTAEGQLELPRMPDVRALLDTSLFTCGQYRPADSEQTMTVALGRDVLRDAGSMVERIGVRVAMTEETAARVLRGGSGDSGAAAVSAIPVEALCTGRAEHDADELVLYEALCSRVASGTALPLYARCCFDGFARMRQGDYAGALTAFCGVAAIADLDPGLLPPCLRREVAASGATVGAVSVQVARLMRECERCVRAGVADGFQRVPRRPPGMDAVLPDDITPLGTAPPVSTARSGVPAASAKPRRMASSFTAPPWYPEVGDRHVMLLSNGAVTTRVVVPTPPAWVRDNHGMYWQLACRKSDCTPPELWACRILALGSAGAIASVNYIMYREVHPV---VAKAIRDAPPGPISDALRRAT-PVCGPTAQQDASIKRLITRHQELRHPNILA--------PLAYSQSVEGGVVLIWEFCPGGTLRQLLARY--PRVKSVTFACFGLQMLSALSHLHERGVAHGRLNLDNVMVDSNGHCRLIGQFADHALEREIFHFKPS-------CYLSPAMAAGALPTPPCDMFCYGLLAMEAVTQQPCWRWATAAEYGGHRDSKPPSAKELADLMATGGQRF-------ADAVVQGRVVLNLEQ---------LDVGPITEHHNDTMISVCRRLLSLDPASRPTAAELREENKSVLNLLGITMEEDTR--------------------- 2ACX Chain:A ((14-532)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KARKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERNPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRNLTQNFLSHTGPDLIPE--VPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDDHGHIRI----SDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQ----------QRKKKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGS

General information: TITO was launched using: RESULT: Template: 2ACX.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 : 2020 -45508 -22.53 -104.14 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -22.53 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_2ACX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ACX-query.scw PDB file : Tito_Scwrl_2ACX.pdb: