Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNREALLIVSNGQQCHKNHLSPEKVVTIGNTIEHEITYPELAESIEVKYDEGSWNAGTTALQANQAVNVENLAFYLCQDLHTQVYDVVTNISVTFGVGIENDVTLDDTKSDFILLRDAKEKLFKLQVLNGEVYHNFSLVTEDCVLEPGDQLYTDGVTITIGKEDISVLAVKNRVTSKLAPLFAADNSFGEDYPDYHRSPRIIYRAPEEKISMAKPSSKPSKPTDGLIKIILPPLIMVAITVMISIFQPRGLYIIMTIAMSAVTITMAILNYIKSRKKYKIDSKQRVESYDLYLKRKTKELHETSEKQRHALTYHYPDVTELEKMALRVDSRIYEKTMFHHDFLTFRVGRGDETSSFSVEFQQEEFSQEKDELVEEAVKIKGQYLSINEVPVATDLMHGPVGYIGPRRLVLEQLQMLVMQTSLFHSYYDLQFITIFPEEEKADWDWMRWLPHANMRDVNVRGFVYHERSRDQVLNSLYQILKERKQALTEQASKQEKLYFTPHYVVLITDEKLVLDHTVMEFFNEDPSELGVSLVFVQDVMESLPEHVKTVVDIRDAKSGNIILEQGDLVNRAFVPDHLPADFDKEVISRALAPLNHLQNLKNSIP-ESVTFLEMYGVER--VEELNIAGRWAKNETYKSLAVPLGLRGKDDIVQLNLHEKAHGPHGLVAGTTGSGKSEIIQSYIISLGVNFHPYEVAFLLIDYKGGGMANLFKNMPHLLGTITNLDGAQSMRALASIKAELQKRQRLFGEHDVNHINQYQKLYKQGKAT---------------------EPMPHLFLISDEFAELKSEQPEFMKELVST-ARIGRSLGIHLILATQKPS-GVVDDQIWSNSKFKLALKVQNASDSNEILKTPDAAEITLPGRSYLQVGNNEIYELFQSAWSGADYVPDKESTDYIDTTIYAINDLGQYDILTEDLSGLDKKDDLTKLPSELDAVIDHIHEYTEASGIEALPRPWLPPLEEQIFLPELHQVITDELWSGEKQPLQATIGFLDIPQMQAQEPLTIDLAKDGHLAVFSSPGYGKSTFLQTITMDLARQHNPERLHIYLLDLGTNGLLPLKKLPHVADTIMVDEEIKIGKLIRRLTLELKERKQKLSKYGVASISMYEKASKEEVPAILLVIDAFDSVGEAPYKDVFEKLIAQIAREGASVGIHLVMSAVRQNAIRVQMLASIKHQIPLFMIEPGESRSIVGKTDLTIEELPGRGLVKLEEPTVFQTALPVCADGTLEIIEKIQAESEAMSSEWNGSRPAPIPMVPEVINMLEYLENKQVQKSLSEGKTPIAVDFEDVLPVNLDVQTDGNTLVLTDNADVLERTMVSLTELIGQNMEVDIALYDNSSNRFQQYRNNVNIYAGEETAMNSTSEQIVSVLEAREDGWKEIQRASNGEITLKMYVEELRPMYVLLTDSIYAAEQMSLEARKNMVRLIENGPKLGIYFVTGSQTGILYRARDEISGELRKQKTGILLGRISDQNILSLINNIYKEALLAPYEAYYIKQGQYEKIKLIAPNQ |
2IUT Chain:A ((70-477)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPPLSLLDPAEVKQKSYSPESLEAMSRLLEIKLKEFGVEVSVDSVHPGPVITRFEIQPAAGVKVSRISNL------AKDLARSLAVIS--VRVVEVIPGKTTVGIEIPNEDRQMVRFSEVLSSPEYDEHKSTVPLALGHDIGGRPIITDLAKM---PHLLVAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELS-IYEGIPHLLCPVVT-DMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVGKKVEELIARIAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQGGAEQLLGHGDMLYLPPGTGLPIRVHGAFV---------SDDEVHRVVEAWKLRGAPDYIEDILA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IUT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107783 for 3250 contacts (-33.2/contact) +
2D Compatibility (PS) -40585 + (NN) -8445 + (LL) 83724
1D Compatibility (HY) -16800 + (ID) 4450
Total energy: -94339.0 ( -29.03 by residue)
QMean score : 0.394
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