Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNREALLIVSNGQQCHKNHLSPEKVVTIGNTIEHEITYPELAESIEVKYDEGSWNAGTTALQANQAVNVENLAFYLCQDLHTQVYDVVTNISVTFGVGIENDVTLDDTKSDFILLRDAKEKLFKLQVLNGEVYHNFSLVTEDCVLEPGDQLYTDGVTITIGKEDISVLAVKNRVTSKLAPLFAADNSFGEDYPDYHRSPRIIYRAPEEKISMAKPSSKPSKPTDGLIKIILPPLIMVAITVMISIFQPRGLYIIMTIAMSAVTITMAILNYIKSRKKYKIDSKQRVESYDLYLKRKTKELHETSEKQRHALTYHYPDVTELEKMALRVDSRIYEKTMFHHDFLTFRVGRGDETSSFSVEFQQEEFSQEKDELVEEAVKIKGQYLSINEVPVATDLMHGPVGYIGPRRLVLEQLQMLVMQTSLFHSYYDLQFITIFPEEEKADWDWMRWLPHANMRDVNVRGFVYHERSRDQVLNSLYQILKERKQALTEQASKQEKLYFTPHYVVLITDEKLVLDHTVMEFFNEDPSELGVSLVFVQDVMESLPEHVKTVVDIRDAKSGNIILEQGDLVNRAFVPDHLPADFDKEVISRALAPLNHLQNLKNSIPESVTFLEMYGVERVEELNIAGRWAKNETYKSLAVPLGLRGKDDIVQLNLHEKAHGPHGLVAGTTGSGKSEIIQSYIISLGVNFHPYEVAFLLIDYKGGGMANLFKNMPHLLGTITNLDGAQSMRALASIKAELQKRQRLFGEHDVNHINQYQKLYKQGKATEPMPHLFLISDEFAELKSEQPEFMKELVSTARIGRSLGIHLILATQKPSGVVDDQIWSNSKFKLALKVQNASDSNEILKTPDAAEITLPGRSYLQVGNNEIYELFQSAWSGADYVPDKESTDYIDTTIYAINDLGQYDILTEDLSGLDKKDDLTKLPSELDAVIDHIHEYTEASGIEALPRPWLPPLEEQIFLPELHQVITDELWSGEKQPLQATIGFLDIPQMQAQEPLTIDLAKDGHLAVFSSPGYGKSTFLQTITMDLARQHNPERLHIYLLDLGTNGLLPLKKLPHVADTIMVDEEIKIGKLIRRLTLELKERKQKLSKYGVASISMYEKAS------------------KEEVPAILLVIDAFDSVGEAPYKDVFEKLIAQIAREGASVGIHLVMSAVRQN--AIRVQMLASIKHQIPLFMIEPGESRSIVGKTDLTIEELPGRGLVKLE---EPTVFQTALPVCADGTLEIIEKIQAESEAMSSEWNGSRPAPIPMVPEVINMLEYLENKQVQKSLSEGKTPIAVDFEDVLPVNLDVQTDGNTLVLTDNADVLERTMVSLTELIGQNMEVDIALYDNSSNRFQQYRNNVNIYAGEETAMNSTSEQIVSVLEAREDGWKEIQRASNGEITLKMYVEELRPMYVLLTDSIYAAEQMSLEARKNMVRLIENGPKLGIYFVTGSQTGILYRARDEISGELRKQKTGILLGRISDQNILSLINNIYKEALLAPYEAYYIKQGQYEKIKLIAPNQ 2IUS Chain:A ((961-1224)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PSPLTVVLGKDI-----AGEPVVADLAKMPHLLVAGTTGSGASVGVNAMILSMLYKAQPEDVRFIMIDPKMLELSVYEGIPHLLTEVV-TDMKDAANALRWCVNEMERRYKLMSALGVRNLAGYNEKIAEADRMMRPIPDPYWHPVLKKEPYIVVLVDEFADLMMTVG-KKVEELIARLAQKARAAGIHLVLATQRPSVDVITGLIKANIPTRIAFTVSSKIDSRTILDQAGAESLLGMGDMLYSGPNSTLPVRVHGAFVRD---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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) -138898 for 2003 contacts (-69.3/contact) + 2D Compatibility (PS) -24700 + (NN) -4761 + (LL) 91388 1D Compatibility (HY) -10800 + (ID) 2750 Total energy: -90521.0 ( -45.19 by residue) QMean score : 0.442

(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: