Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNREALLIVSNGQQCHKNHLSPEKVVTIGNTIEHEITYPELAESIEVKYDEGSWNAGTTALQANQAVNVENLAFYLCQDLHTQVYDVVTNISVTFGVGIENDVTLDDTKSDFILLRDAKEKLFKLQVLNGEVYHNFSLVTEDCVLEPGDQLYTDGVTITIGKEDISVLAVKNRVTSKLAPLFAADNSFGEDYPDYHRSPRIIYRAPEEKISMAKPSSKPSKPTDGLIKIILPPLIMVAITVMISIFQPRGLYIIMTIAMSAVTITMAILNYIKSRKKYKIDSKQRVESYDLYLKRKTKELHETSEKQRHALTYHYPDVTELEKMALRVDSRIYEKTMFHHDFLTFRVGRGDETSSFSVEFQQEEFSQEKDELVEEAVKIKGQYLSINEVPVATDLMHGPVGYIGPRRLVLEQLQMLVMQTSLFHSYYDLQFITIFPEEEKADWDWMRWLPHANMRDVNVRGFVYHERSRDQVLNSLYQILKERKQALTEQASKQEKLYFTPHYVVLITDEKLVLDHTVMEFFNEDPSELGVSLVFVQDVMESLPEHVKTVVDIRDAKSGNIILEQGDLVNRAFVPDHLPADFDKEVISRALAPLNHLQNLKNSIPESVTFLEMYGVERVEELNIAGRWAKNETYKSLAVPLGLRGKDDIVQLNLHEKAHGPHGLVAGTTGSGKSEIIQSYIISLGVNFHPYEVAFLLIDYKGGGMANLFKNMPHLLGTITNLDGAQSMRALASIKAELQKRQRLFGEHDVNHINQYQKLYKQGKATEPMPHLFLISDEFAELKSEQPEFMKELVSTARIGRSLGIHLILATQKPSGVVDDQIWSNSKFKLALKVQNASDSNEILKTPDAAEITLPGRSYLQVGNNEIYELFQSAWSGADYVPDKESTDYIDTTIYAINDLGQYDILTEDLSGLDKKDDLTKLPSELDAVIDHIHEYTEASGIEALPRPWLPPLEEQIFLPELHQVITDELWSGEKQPLQATIGFLDIPQMQAQEPLTIDLAKDGHLAVFSSPGYGKSTFLQTITMDLARQHNPERLHIYLLDLGTNGLLPLKKLPHVADTIMVDEEIKIGKLIRRLTLELKERKQKLSKYGVASISMYEKASKEEVPAILLVIDAFDSVGEAPYKDVFEKLIAQIAREGASVGIHLVMSAVRQNAIRVQMLASIKHQIPLFMIEPGESRSIVGKTDLTIEELPGRGLVKLEEPTVFQTALPVCADGTLEIIEKIQAESEAMSSEWNGSRPAPIPMVPEVINMLEYLENKQVQKSLSEGKTPIAVDFEDVLPVNLDVQTDGNTLVLTDNADVLERTM-VSLTELIGQNMEVDIALYDNSSNRFQQYRNNVNI-YAGEETAMNSTSEQIVSVLEAREDGWKEIQRASNGEITLKMYVEELRPMYVLLTDSIYAAEQMSLEARKNMV-RLIENGPKLGIYFVTGSQTGILYRARDEISGELRKQKTGILLGRISDQNILSLINNIYKEALLAPYEAYYIKQGQYEKIKLIAPNQ |
4LYA Chain:A ((53-555)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IGLKDEPELQSQSDYFYQWLEDGNIGIFGSAGYGKSTTMMTLLLSFAGAYNPAQLHYYIFDFGNSALLPLRQLPHTADYFRLDDEKKIEKFIKFMKEEMEQRKQRFMEKEVSTIKLYNALSEEKLPIIIVALDNFDVVKEE--MPDFETQLIQYARDGQSLGIFFIMTATRVSGIRPPLMNNLKTKIVHYFIDSSEKFSLIGRTPYDVDPIPGRALIKKDNAALTQIYLPADGEDDIEVLENVKREMERLKEVYQHIPKPKPIPMLPPRLSMSVFTNTYVQHRAS-GFIPVGLDEQTVRPVAINMRTDPHCLIVGQSRKGKTNVVKVILESLLVQEPE-SIGLLDGIDRGLAGYANRDDITYIEAKERLAQWLNEADAVLQQREREY--IQAVN--------W-----PPVVFVVDSLLRLQQETDSIMQGRIANMMKQYSHLGFHVFVAGNANEFVKGFDALTAELKQIRQAILVTKKSEQSLFAL-PFTRNEQEIEPGFGYFVVGGKDQKIQI----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LYA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -241910 for 3894 contacts (-62.1/contact) +
2D Compatibility (PS) -53099 + (NN) -16064 + (LL) 72092
1D Compatibility (HY) -36400 + (ID) 7050
Total energy: -282431.0 ( -72.53 by residue)
QMean score : 0.420
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