Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNREALLIVSNGQQCHKNHLSPEKVVTIGNTIEHEITYPELAESIEVKYDEGSWNAGTTALQANQAVNVENLAFYLCQDLHTQVYDVVTNISVTFGVGIENDVTLDDTKSDFILLRDAKEKLFKLQVLNGEVYHNFSLVTEDCVLEPGDQLYTDGVTITIGKEDISVLAVKNRVTSKLAPLFAADNSFGEDYPDYHRSPRIIYRAPEEKISMAKPSSKPSKPTDGLIKIILPPLIMVAITVMISIFQPRGLYIIMTIAMSAVTITMAILNYIKSRKKYKIDSKQRVESYDLYLKRKTKELHETSEKQRHALTYHYPDVTELEKMALRVDSRIYEKTMFHHDFLTFRVGRGDETSSFSVEFQQEEFSQEKDELVEEAVKIKGQYLSINEVPVATDLMHGPVGYIGPRRLVLEQLQMLVMQTSLFHSYYDLQFITIFPEEEKADWDWMRWLPHANMRDVNVRGFVYHERSRDQVLNSLYQILKERKQALTEQASKQEKLYFTPHYVVLITDEKLVLDHTVMEFFNEDPSELGVSLVFVQDVMESLPEHVKTVVDIRDAKSGNIILEQGDLVNRAFVPDHLPADFDKEVISRALAPLNHLQNLKNSIPESVTFLEMYGVERVEELNIAGRWAKNETYKSLAVPLGLRGKDDIVQLNLHEKAHGPHGLVAGTTGSGKSEIIQSYIISLGVNFHPYEVAFLLIDYKGGGMANLFKNMPHLLG-TITNL-DGAQSMRALASIKAELQKRQRLFGEHDVNHINQY-QKLYKQGKATEPM------------PHLFLISDEFAELKSEQPEFMKELVST-ARIGRSLGIHLILATQKPS-GVVDDQIWSNSKFKLALKVQNASDSNEILKTPDAAEITLPGRSYLQVGNNEIYELFQSAWSGADYVPDKESTDYIDTTIYAINDLGQYDILTEDLSGLDKKDDLTKLPSELDAVIDHIHEYTEASGIEALPRPWLPPLEEQIFLPELHQVITDELWSGEKQPLQATIGFLDIPQMQAQEPLTIDLAKDGHLAVFSSPGYGKSTFLQTITMDLARQHNPERLHIYLLDLGTNGLLPLKKLPHVADTIMVDEEIKIGKLIRRLTLELKERKQKLSKYGVASISMYEKASKEEVPAILLVIDAFDSVGEAPYKDVFEKLIAQIAREGASVGIHLVMSAVRQNAIRVQMLASIKHQIPLFMIEPGESRSIVGKTDLTIEELPGRGLVKLEEPTVFQTALPVCADGTLEIIEKIQAESEAMSSEWNGSRPAPIPMVPEVINMLEYLENKQVQKSLSEGKTPIAVDFEDVLPVNLDVQTDGNTLVLTDNADVLERTMVSLTELIGQNMEVDIALYDNSSNRFQQYRNNVNIYAGEETAMNSTSEQIVSVLEAREDGWKEIQRASNGEITLKMYVEELRPMYVLLTDSIYAAEQMSLEARKNMVRLIENGPKLGIYFVTGSQTGILYRARDEISGELRKQKTGILLGRISDQNILSLINNIYKEALLAPYEAYYIKQGQYEKIKLIAPNQ 2IUS Chain:A ((969-1190)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GKDIAGEPVVADLAKMPHLLVAGTTGSGASVGVNAMILSMLYKAQPEDVRFIMIDPKMLELS-VYEGIPHLLTEVVTDMKDAANALRWCVN---EMERRYKLMSALGVRNLAGYNEKIAEADRMMRPIPDPYWHPVLKKEPYIVVLVDEFADLMMTVGKKVEELIARLAQKARAAGIHLVLATQRPSVDVITGLIKANIPTRIAFTVSSKIDSRTIL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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) -77240 for 1471 contacts (-52.5/contact) + 2D Compatibility (PS) -21009 + (NN) -7481 + (LL) 96840 1D Compatibility (HY) -16000 + (ID) 3400 Total energy: -28290.0 ( -19.23 by residue) QMean score : 0.435

(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: