Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNREALLIVSNGQQCHKNHLSPEKVVTIGNTIEHEITYPELAESIEVKYDEGSWNAGTTALQANQAVNVENLAFYLCQDLHTQVYDVVTNISVTFGVGIENDVTLDDTKSDFILLRDAKEKLFKLQVLNGEVYHNFSLVTEDCVLEPGDQLYTDGVTITIGKEDISVLAVKNRVTSKLAPLFAADNSFGEDYPDYHRSPRIIYRAPEEKISMAKPSSKPSKPTDGLIKIILPPLIMVAITVMISIFQPRGLYIIMTIAMSAVTITMAILNYIKSRKKYKIDSKQRVESYDLYLKRKTKELHETSEKQRHALTYHYPDVTELEKMALRVDSRIYEKTMFHHDFLTFRVGRGDETSSFSVEFQQEEFSQEKDELVEEAVKIKGQYLSINEVPVATDLMHGPVGYIGPRRLVLEQLQMLVMQTSLFHSYYDLQFITIFPEEEKADWDWMRWLPHANMRDVNVRGFVYHERSRDQVLNSLYQILKERKQALTEQASKQEKLYFTPHYVVLITDEKLVLDHTVMEFFNEDPSELGVSLVFVQDVMESLPEHVKTVVDIRDAKSGNIILEQGDLVNRAFVPDHLPADFDKEVISRALAPLNHLQNLKNSIPESVTFLEMYGVERVEELNIAGRWAKNETYKSLAVPLGLRGKDDIVQLNLHEKAHGPHGLVAGTTGSGKSEIIQSYIISLGVNFHPYEVAFLLIDYKGGGMANLFKNMPHLLGTITNLDGAQSMRALASIKAELQKRQRLFGEHDVNHINQYQKLYKQG-------------KATEPMPHLFLISDEFAELKSEQ-PEFMKELVSTARIGRSLGIHLILATQKPSG-VVDDQIWSNSKFKLALKVQNASDSNEILKTPDAAEITLPGRSYLQVGNNEIYELFQSAWSGADYVPDKESTDYIDTTIYAINDLGQYDILTEDLSGLDKKDDLTKLPSELDAVIDHIHEYTEASGIEALPRPWLPPLEEQIFLPELHQVITDELWSGEKQPLQATIGFLDIPQMQAQEPLTIDLAKDGHLAVFSSPGYGKSTFLQTITMDLARQHNPERLHIYLLDLGTNGLLPLKKLPHVADTIMVDEEIKIGKLIRRLTLELKERKQKLSKYGVASISMYEKASKEEVPAILLVIDAFDSVGEAPYKDVFEKLIAQIAREGASVGIHLVMSAVRQNAIRVQMLASIKHQIPLFMIEPGESRSIVGKTDLTIEELPGRGLVKLEEPTVFQTALPVCADGTLEIIEKIQAESEAMSSEWNGSRPAPIPMVPEVINMLEYLENKQVQKSLSEGKTPIAVDFEDVLPVNLDVQTDGNTLVLTDNADVLERTMVSLTELIGQNMEVDIALYDNSSNRFQQYRNNVNIYAGEETAMNSTSEQIVSVLEAREDGWKEIQRASNGEITLKMYVEELRPMYVLLTDSIYAAEQMSLEARKNMVRLIENGPKLGIYFVTGSQTGILYRARDEISGELRKQKTGILLGRISDQNILSLINNIYKEALLAPYEAYYIKQGQYEKIKLIAPNQ 2IUS Chain:A ((962-1223)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPLTVVLGKDIAGEPVVADLA---KMPHLLVAGTTGSGASVGVNAMILSMLYKAQPEDVRFIMIDPKMLE-LSVYEGIPHLLTEVVT-DMKDAANALRWCVNEMERRYKLMSALGVRNLAGYNEKIAEADRMMRPIPDPYWHPVLKKEPYIVVLVDEFADLMMTVGKKVEELIARLAQKARAAGIHLVLATQRPSVDVITGLIKANIPTRIAFTVSSKIDSRTILDQAGAESLLGMGDMLYSGPNSTLPVRVHGAFVR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IUS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -92183 for 2029 contacts (-45.4/contact) + 2D Compatibility (PS) -25899 + (NN) -9955 + (LL) 94780 1D Compatibility (HY) -15600 + (ID) 3450 Total energy: -52307.0 ( -25.78 by residue) QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_2IUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IUS-query.scw PDB file : Tito_Scwrl_2IUS.pdb: