Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCCAVCGPEPGRIGEVTPLGPCPAQHRGGPLRPSELAQASVMAALCAVTAIISVVVPFAAGLALLGTVPTGLLAYRYRLRVLAAATVAAGMIAFLIAGLGGFMGVVHSAYIGGLTGIVKRRGRGTPTVVVSSLIGGFVFGAAMVGMLAAMVRLRHLIFKVMTANVDGIAATLARMHMQGAAADVKRYFAEGLQYWPWVLLGYFNIGIMIVSLIGWWALSRLLERMRGIPDVHKLDPPPGDDVDALIGPVPVRLDKVRFRYPRAGQDALREVSLDVRAGEHLAIIGANGSGKTTLMLILAGRAPTSGTVDRPGTVGLGKLGGTAVVLQHPESQVLGTRVADDVVWGLPLGTTADVGRLLSEVGLEA-LAERDTGSLSGGELQRLALAAALAREPAMLIADEVTTMVDQQGRDALLAVLSGLTQRHRTALVHITHYDNEAD-SADRTLSLSDSPDNTD---MVHT------AA-------------MPAPVI-GVDQPQHAPALELVGVGHEYASGTPWAKTALRDINFVVEQGDGVLIHGGNGSGKSTLAWIMAGLTIPTTGACLLDGRPTHEQVGAVALSFQAARLQ----------------LM-----------------------------------------------------RSRVDLEVASAA--------------------------------------G-FSASEQDRVAAALTVVGLDPAL-GARRIDQLSGGQMRRVVLAGLLARAPRALILDEPLAGLDAASQRGLLRLLEDLRRARGLTVVVVSHDFAGMEELCPRTLHLRDGVLESAAASEAGGMS |
2IW3 Chain:A ((432-979)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EGEDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANG-----QV--DGFP-TQEECRTVYVEHDIDGTHSDTSVLDFVFESGV-GTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTC----GITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEFQYPGT---SKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENC------RIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEF----EGGVIIITHSAEFTKNLTEEVWAVKDGRMTPS--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -300134 for 3468 contacts (-86.5/contact) +
2D Compatibility (PS) -44299 + (NN) -15131 + (LL) 19420
1D Compatibility (HY) -19600 + (ID) 5150
Total energy: -364894.0 ( -105.22 by residue)
QMean score : 0.399
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