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added 113 to alr aa

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Tanushree Tunstall 2022-09-04 21:36:14 +01:00
parent 58c25e23c0
commit 4963f18f1d
1 changed files with 5 additions and 1 deletions
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6
config/alr.R
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@ -142,9 +142,13 @@ if ( all(c1, c2, c3) ) {
#K42: K66, Y271:Y295, M319:M343, W89: W113, W203: W227, H209:H233, Q321:Q345
aa_pos_paper = sort(unique(c(66,70,112,113,164,196,227,233,237,252,254,255,295,342,343,344,345,388)))
plp_pos_paper = sort(unique(c(66, 70, 112, 196, 227, 237, 252, 254, 255, 388)))
add_to_dcs = c(113, 227, 233, 345)
add_to_plp = c(113, 227, 233, 345) # 227 not in plp and 227, 233 and 345 not with snp
active_aa_pos = sort(unique(c(aa_pos_paper, active_aa_pos)))
aa_pos_plp = sort(unique(c(plp_pos_paper, 66, 70, 112, 237, 252, 254, 255, 196)))
aa_pos_plp = sort(unique(c(plp_pos_paper, 66, 70, 112, 237, 252, 254, 255, 196, add_to_plp)))
aa_pos_dcs = sort(unique(c(aa_pos_dcs, add_to_dcs)))
aa_pos_drug = aa_pos_dcs
# add two key residues
#aa_pos_drug = sort(unique(c(319, 364, aa_pos_drug)))