ADMET-CYP-cofolding / provenance /anchor_map.csv
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reference_gene,reference_pdb,reference_chain,reference_resnum,block,CYP1A2_resnum,CYP2C9_resnum,CYP2D6_resnum,CYP3A4_resnum,CYP1A2_mapping_agreement,CYP2C9_mapping_agreement,CYP2D6_mapping_agreement,CYP3A4_mapping_agreement
CYP3A4,1TQN,A,125,CDE,132,119,127,125,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,126,CDE,133,120,128,126,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,127,CDE,134,121,129,127,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,128,CDE,135,122,130,128,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,129,CDE,136,123,131,129,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,130,CDE,137,124,132,130,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,131,CDE,138,125,133,131,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,132,CDE,139,126,134,132,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,133,CDE,140,127,135,133,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,134,CDE,141,128,136,134,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,135,CDE,142,129,137,135,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,136,CDE,143,130,138,136,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,137,CDE,144,131,139,137,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,138,CDE,145,132,140,138,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,144,CDE,160,140,148,144,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,145,CDE,161,141,149,145,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,146,CDE,162,142,150,146,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,147,CDE,163,143,151,147,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,148,CDE,164,144,152,148,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,149,CDE,165,145,153,149,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,150,CDE,166,146,154,150,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,151,CDE,167,147,155,151,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,152,CDE,168,148,156,152,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,153,CDE,169,149,157,153,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,154,CDE,170,150,158,154,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,155,CDE,171,151,159,155,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,156,CDE,172,152,160,156,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,157,CDE,173,153,161,157,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,158,CDE,174,154,162,158,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,159,CDE,175,155,163,159,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,160,CDE,176,156,164,160,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,161,CDE,177,157,165,161,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,162,CDE,178,158,166,162,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,163,CDE,179,159,167,163,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,170,CDE,186,164,172,170,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,171,CDE,187,165,173,171,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,172,CDE,188,166,174,172,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,173,CDE,189,167,175,173,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,174,CDE,190,168,176,174,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,175,CDE,191,169,177,175,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,176,CDE,192,170,178,176,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,177,CDE,193,171,179,177,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,178,CDE,194,172,180,178,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,179,CDE,195,173,181,179,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,180,CDE,196,174,182,180,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,181,CDE,197,175,183,181,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,182,CDE,198,176,184,182,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,183,CDE,199,177,185,183,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,184,CDE,200,178,186,184,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,185,CDE,201,179,187,185,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,186,CDE,202,180,188,186,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,187,CDE,203,181,189,187,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,270,H,282,262,270,270,1.0,1.0,1.0,0.957983193277311
CYP3A4,1TQN,A,271,H,283,263,271,271,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,272,H,284,264,272,272,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,273,H,285,265,273,273,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,274,H,286,266,274,274,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,275,H,287,267,275,275,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,276,H,288,268,276,276,1.0,1.0,1.0,0.9915966386554622
CYP3A4,1TQN,A,277,H,289,269,277,277,1.0,1.0,1.0,0.9747899159663865
CYP3A4,1TQN,A,278,H,290,270,278,278,1.0,1.0,1.0,0.9411764705882353
CYP3A4,1TQN,A,279,H,291,271,279,279,1.0,1.0,1.0,0.8739495798319328
CYP3A4,1TQN,A,291,IJK,303,283,291,291,1.0,1.0,1.0,0.9915966386554622
CYP3A4,1TQN,A,292,IJK,304,284,292,292,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,293,IJK,305,285,293,293,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,294,IJK,306,286,294,294,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,295,IJK,307,287,295,295,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,296,IJK,308,288,296,296,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,297,IJK,309,289,297,297,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,298,IJK,310,290,298,298,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,299,IJK,311,291,299,299,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,300,IJK,312,292,300,300,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,301,IJK,313,293,301,301,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,302,IJK,314,294,302,302,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,303,IJK,315,295,303,303,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,304,IJK,316,296,304,304,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,305,IJK,317,297,305,305,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,306,IJK,318,298,306,306,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,307,IJK,319,299,307,307,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,308,IJK,320,300,308,308,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,309,IJK,321,301,309,309,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,310,IJK,322,302,310,310,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,311,IJK,323,303,311,311,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,312,IJK,324,304,312,312,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,313,IJK,325,305,313,313,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,314,IJK,326,306,314,314,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,315,IJK,327,307,315,315,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,316,IJK,328,308,316,316,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,317,IJK,329,309,317,317,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,318,IJK,330,310,318,318,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,319,IJK,331,311,319,319,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,320,IJK,332,312,320,320,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,321,IJK,333,313,321,321,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,322,IJK,334,314,322,322,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,323,IJK,335,315,323,323,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,324,IJK,336,316,324,324,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,325,IJK,337,317,325,325,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,326,IJK,338,318,326,326,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,327,IJK,339,319,327,327,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,328,IJK,340,320,328,328,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,329,IJK,341,321,329,329,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,330,IJK,342,322,330,330,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,331,IJK,343,323,331,331,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,332,IJK,344,324,332,332,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,333,IJK,345,325,333,333,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,334,IJK,346,326,334,334,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,335,IJK,347,327,335,335,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,336,IJK,348,328,336,336,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,337,IJK,349,329,337,337,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,338,IJK,350,330,338,338,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,339,IJK,351,331,339,339,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,340,IJK,352,332,340,340,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,341,IJK,353,333,341,341,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,342,IJK,354,334,342,342,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,343,IJK,355,335,343,343,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,344,IJK,356,336,344,344,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,345,IJK,357,337,345,345,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,346,IJK,358,338,346,346,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,347,IJK,359,339,347,347,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,348,IJK,360,340,348,348,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,349,IJK,361,341,349,349,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,350,IJK,362,342,350,350,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,351,IJK,363,343,351,351,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,352,IJK,364,344,352,352,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,353,IJK,365,345,353,353,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,354,IJK,366,346,354,354,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,355,IJK,367,347,355,355,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,356,IJK,368,348,356,356,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,357,IJK,369,349,357,357,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,358,IJK,370,350,358,358,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,359,IJK,371,351,359,359,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,360,IJK,372,352,360,360,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,361,IJK,373,353,361,361,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,362,IJK,374,354,362,362,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,363,IJK,375,355,363,363,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,364,IJK,376,356,364,364,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,365,IJK,377,357,365,365,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,366,IJK,378,358,366,366,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,367,IJK,379,359,367,367,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,397,KPRIME_MEANDER,410,390,398,397,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,398,KPRIME_MEANDER,411,391,399,398,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,399,KPRIME_MEANDER,412,392,400,399,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,400,KPRIME_MEANDER,413,393,401,400,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,401,KPRIME_MEANDER,414,394,402,401,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,402,KPRIME_MEANDER,415,395,403,402,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,403,KPRIME_MEANDER,416,396,404,403,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,404,KPRIME_MEANDER,417,397,405,404,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,405,KPRIME_MEANDER,418,398,406,405,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,406,KPRIME_MEANDER,419,399,407,406,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,407,KPRIME_MEANDER,420,400,408,407,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,408,KPRIME_MEANDER,421,401,409,408,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,409,KPRIME_MEANDER,422,402,410,409,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,410,KPRIME_MEANDER,423,403,411,410,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,411,KPRIME_MEANDER,424,404,412,411,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,412,KPRIME_MEANDER,425,405,413,412,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,413,KPRIME_MEANDER,426,406,414,413,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,414,KPRIME_MEANDER,427,407,415,414,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,415,KPRIME_MEANDER,428,408,416,415,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,416,KPRIME_MEANDER,429,409,417,416,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,417,KPRIME_MEANDER,430,410,418,417,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,418,KPRIME_MEANDER,431,411,419,418,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,419,KPRIME_MEANDER,432,412,420,419,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,420,KPRIME_MEANDER,433,413,421,420,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,421,KPRIME_MEANDER,434,414,422,421,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,423,KPRIME_MEANDER,440,418,426,423,1.0,0.9333333333333333,0.9285714285714286,1.0
CYP3A4,1TQN,A,424,KPRIME_MEANDER,441,419,427,424,1.0,0.9333333333333333,0.9285714285714286,1.0
CYP3A4,1TQN,A,425,KPRIME_MEANDER,442,420,428,425,1.0,0.9333333333333333,0.9285714285714286,1.0
CYP3A4,1TQN,A,426,KPRIME_MEANDER,443,421,429,426,1.0,0.9333333333333333,0.9285714285714286,1.0
CYP3A4,1TQN,A,427,KPRIME_MEANDER,444,422,430,427,1.0,1.0,0.9285714285714286,1.0
CYP3A4,1TQN,A,444,L,460,437,445,444,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,445,L,461,438,446,445,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,446,L,462,439,447,446,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,447,L,463,440,448,447,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,448,L,464,441,449,448,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,449,L,465,442,450,449,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,450,L,466,443,451,450,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,451,L,467,444,452,451,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,452,L,468,445,453,452,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,453,L,469,446,454,453,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,454,L,470,447,455,454,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,455,L,471,448,456,455,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,456,L,472,449,457,456,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,457,L,473,450,458,457,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,458,L,474,451,459,458,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,459,L,475,452,460,459,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,460,L,476,453,461,460,1.0,1.0,1.0,1.0
CYP3A4,1TQN,A,461,L,477,454,462,461,1.0,0.9333333333333333,1.0,1.0