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Physics-based scoring: NP_000537.3 QC, literature dDG, RT ln Kd, Lipinski/QED, Rescue formula, real-world ingest
d875b22 verified
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16.8 kB
system,residue,rmsf
WT,94,0.48
WT,95,0.487
WT,96,0.495
WT,97,0.502
WT,98,0.51
WT,99,0.517
WT,100,0.524
WT,101,0.531
WT,102,0.538
WT,103,0.544
WT,104,0.55
WT,105,0.556
WT,106,0.562
WT,107,0.567
WT,108,0.572
WT,109,0.577
WT,110,0.581
WT,111,0.585
WT,112,0.588
WT,113,1.141
WT,114,1.144
WT,115,1.146
WT,116,1.148
WT,117,1.149
WT,118,1.15
WT,119,1.15
WT,120,1.15
WT,121,1.149
WT,122,1.148
WT,123,1.147
WT,124,0.594
WT,125,0.592
WT,126,0.589
WT,127,0.586
WT,128,0.582
WT,129,0.578
WT,130,0.573
WT,131,0.568
WT,132,0.563
WT,133,0.558
WT,134,0.552
WT,135,0.546
WT,136,0.539
WT,137,0.533
WT,138,0.526
WT,139,0.519
WT,140,0.512
WT,141,0.504
WT,142,0.497
WT,143,0.489
WT,144,0.482
WT,145,0.474
WT,146,0.467
WT,147,0.46
WT,148,0.452
WT,149,0.445
WT,150,0.438
WT,151,0.431
WT,152,0.424
WT,153,0.418
WT,154,0.411
WT,155,0.405
WT,156,0.4
WT,157,0.394
WT,158,0.389
WT,159,0.384
WT,160,0.38
WT,161,0.376
WT,162,0.373
WT,163,0.369
WT,164,0.767
WT,165,0.765
WT,166,0.763
WT,167,0.761
WT,168,0.76
WT,169,0.76
WT,170,0.76
WT,171,0.761
WT,172,0.762
WT,173,0.763
WT,174,0.765
WT,175,0.767
WT,176,0.77
WT,177,0.773
WT,178,0.777
WT,179,0.781
WT,180,0.785
WT,181,0.79
WT,182,0.795
WT,183,0.801
WT,184,0.807
WT,185,0.813
WT,186,0.819
WT,187,0.826
WT,188,0.832
WT,189,0.839
WT,190,0.846
WT,191,0.854
WT,192,0.861
WT,193,0.869
WT,194,0.876
WT,195,0.484
WT,196,0.491
WT,197,0.498
WT,198,0.506
WT,199,0.513
WT,200,0.52
WT,201,0.527
WT,202,0.534
WT,203,0.541
WT,204,0.547
WT,205,0.553
WT,206,0.559
WT,207,0.564
WT,208,0.57
WT,209,0.574
WT,210,0.579
WT,211,0.583
WT,212,0.586
WT,213,0.59
WT,214,0.593
WT,215,0.595
WT,216,0.597
WT,217,0.598
WT,218,0.599
WT,219,0.6
WT,220,0.6
WT,221,0.6
WT,222,0.599
WT,223,0.597
WT,224,0.596
WT,225,0.593
WT,226,0.591
WT,227,0.588
WT,228,0.584
WT,229,0.58
WT,230,0.576
WT,231,0.571
WT,232,0.566
WT,233,0.561
WT,234,0.555
WT,235,0.549
WT,236,0.543
WT,237,1.186
WT,238,1.179
WT,239,1.173
WT,240,1.165
WT,241,1.158
WT,242,1.151
WT,243,1.143
WT,244,1.136
WT,245,1.128
WT,246,1.121
WT,247,1.114
WT,248,1.106
WT,249,1.099
WT,250,1.092
WT,251,0.435
WT,252,0.428
WT,253,0.421
WT,254,0.415
WT,255,0.409
WT,256,0.403
WT,257,0.397
WT,258,0.392
WT,259,0.387
WT,260,0.382
WT,261,0.378
WT,262,0.374
WT,263,0.371
WT,264,0.368
WT,265,0.366
WT,266,0.364
WT,267,0.362
WT,268,0.361
WT,269,0.36
WT,270,0.36
WT,271,0.36
WT,272,0.361
WT,273,0.362
WT,274,0.364
WT,275,0.366
WT,276,0.369
WT,277,0.372
WT,278,0.375
WT,279,0.379
WT,280,0.383
WT,281,0.388
WT,282,0.393
WT,283,0.398
WT,284,0.403
WT,285,0.409
WT,286,0.416
WT,287,0.422
WT,288,0.429
WT,289,0.436
WT,290,0.443
WT,291,0.45
WT,292,0.457
p.Y220C,94,0.48
p.Y220C,95,0.487
p.Y220C,96,0.495
p.Y220C,97,0.502
p.Y220C,98,0.51
p.Y220C,99,0.517
p.Y220C,100,0.524
p.Y220C,101,0.531
p.Y220C,102,0.538
p.Y220C,103,0.544
p.Y220C,104,0.55
p.Y220C,105,0.556
p.Y220C,106,0.562
p.Y220C,107,0.567
p.Y220C,108,0.572
p.Y220C,109,0.577
p.Y220C,110,0.581
p.Y220C,111,0.585
p.Y220C,112,0.588
p.Y220C,113,1.141
p.Y220C,114,1.144
p.Y220C,115,1.146
p.Y220C,116,1.148
p.Y220C,117,1.149
p.Y220C,118,1.15
p.Y220C,119,1.15
p.Y220C,120,1.15
p.Y220C,121,1.149
p.Y220C,122,1.148
p.Y220C,123,1.147
p.Y220C,124,0.594
p.Y220C,125,0.592
p.Y220C,126,0.589
p.Y220C,127,0.586
p.Y220C,128,0.582
p.Y220C,129,0.578
p.Y220C,130,0.573
p.Y220C,131,0.568
p.Y220C,132,0.563
p.Y220C,133,0.558
p.Y220C,134,0.552
p.Y220C,135,0.546
p.Y220C,136,0.539
p.Y220C,137,0.533
p.Y220C,138,0.526
p.Y220C,139,0.519
p.Y220C,140,0.512
p.Y220C,141,0.504
p.Y220C,142,0.497
p.Y220C,143,0.489
p.Y220C,144,0.482
p.Y220C,145,0.474
p.Y220C,146,0.467
p.Y220C,147,0.46
p.Y220C,148,0.452
p.Y220C,149,0.445
p.Y220C,150,0.438
p.Y220C,151,0.431
p.Y220C,152,0.424
p.Y220C,153,0.418
p.Y220C,154,0.411
p.Y220C,155,0.405
p.Y220C,156,0.4
p.Y220C,157,0.394
p.Y220C,158,0.389
p.Y220C,159,0.384
p.Y220C,160,0.38
p.Y220C,161,0.376
p.Y220C,162,0.373
p.Y220C,163,0.369
p.Y220C,164,0.767
p.Y220C,165,0.765
p.Y220C,166,0.763
p.Y220C,167,0.761
p.Y220C,168,0.76
p.Y220C,169,0.76
p.Y220C,170,0.76
p.Y220C,171,0.761
p.Y220C,172,0.762
p.Y220C,173,0.763
p.Y220C,174,0.765
p.Y220C,175,0.767
p.Y220C,176,0.77
p.Y220C,177,0.773
p.Y220C,178,0.777
p.Y220C,179,0.781
p.Y220C,180,0.785
p.Y220C,181,0.79
p.Y220C,182,0.795
p.Y220C,183,0.801
p.Y220C,184,0.807
p.Y220C,185,0.813
p.Y220C,186,0.819
p.Y220C,187,0.826
p.Y220C,188,0.832
p.Y220C,189,0.839
p.Y220C,190,0.846
p.Y220C,191,0.854
p.Y220C,192,0.861
p.Y220C,193,0.869
p.Y220C,194,0.876
p.Y220C,195,0.484
p.Y220C,196,0.491
p.Y220C,197,0.498
p.Y220C,198,0.506
p.Y220C,199,0.513
p.Y220C,200,0.52
p.Y220C,201,0.527
p.Y220C,202,0.534
p.Y220C,203,0.541
p.Y220C,204,0.548
p.Y220C,205,0.555
p.Y220C,206,0.562
p.Y220C,207,0.572
p.Y220C,208,0.585
p.Y220C,209,0.603
p.Y220C,210,0.63
p.Y220C,211,0.67
p.Y220C,212,0.727
p.Y220C,213,0.803
p.Y220C,214,0.898
p.Y220C,215,1.01
p.Y220C,216,1.13
p.Y220C,217,1.246
p.Y220C,218,1.344
p.Y220C,219,1.409
p.Y220C,220,1.432
p.Y220C,221,1.408
p.Y220C,222,1.343
p.Y220C,223,1.245
p.Y220C,224,1.129
p.Y220C,225,1.009
p.Y220C,226,0.897
p.Y220C,227,0.801
p.Y220C,228,0.725
p.Y220C,229,0.668
p.Y220C,230,0.628
p.Y220C,231,0.6
p.Y220C,232,0.581
p.Y220C,233,0.568
p.Y220C,234,0.559
p.Y220C,235,0.551
p.Y220C,236,0.543
p.Y220C,237,1.186
p.Y220C,238,1.18
p.Y220C,239,1.173
p.Y220C,240,1.165
p.Y220C,241,1.158
p.Y220C,242,1.151
p.Y220C,243,1.143
p.Y220C,244,1.136
p.Y220C,245,1.128
p.Y220C,246,1.121
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p.Y220C,249,1.099
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p.Y220C,253,0.421
p.Y220C,254,0.415
p.Y220C,255,0.409
p.Y220C,256,0.403
p.Y220C,257,0.397
p.Y220C,258,0.392
p.Y220C,259,0.387
p.Y220C,260,0.382
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p.Y220C,262,0.374
p.Y220C,263,0.371
p.Y220C,264,0.368
p.Y220C,265,0.366
p.Y220C,266,0.364
p.Y220C,267,0.362
p.Y220C,268,0.361
p.Y220C,269,0.36
p.Y220C,270,0.36
p.Y220C,271,0.36
p.Y220C,272,0.361
p.Y220C,273,0.362
p.Y220C,274,0.364
p.Y220C,275,0.366
p.Y220C,276,0.369
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p.Y220C,282,0.393
p.Y220C,283,0.398
p.Y220C,284,0.403
p.Y220C,285,0.409
p.Y220C,286,0.416
p.Y220C,287,0.422
p.Y220C,288,0.429
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p.R175L,94,0.48
p.R175L,95,0.487
p.R175L,96,0.495
p.R175L,97,0.502
p.R175L,98,0.51
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p.R175L,123,1.147
p.R175L,124,0.594
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p.R175L,164,0.798
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p.R175L,173,1.57
p.R175L,174,1.642
p.R175L,175,1.669
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p.R175L,179,1.359
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p.R175L,182,1.027
p.R175L,183,0.953
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p.R175L,219,0.6
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p.R175L,228,0.584
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p.R175L,230,0.576
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p.R175L,237,1.186
p.R175L,238,1.179
p.R175L,239,1.173
p.R175L,240,1.165
p.R175L,241,1.158
p.R175L,242,1.151
p.R175L,243,1.143
p.R175L,244,1.136
p.R175L,245,1.128
p.R175L,246,1.121
p.R175L,247,1.114
p.R175L,248,1.106
p.R175L,249,1.099
p.R175L,250,1.092
p.R175L,251,0.435
p.R175L,252,0.428
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p.R175L,254,0.415
p.R175L,255,0.409
p.R175L,256,0.403
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p.R175L,264,0.368
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p.R175L,266,0.364
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p.R175L,269,0.36
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p.R175L,286,0.416
p.R175L,287,0.422
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p.R175L,289,0.436
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p.R273C,94,0.48
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p.R273C,124,0.594
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p.R273C,152,0.424
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p.R273C,155,0.405
p.R273C,156,0.4
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p.R273C,164,0.767
p.R273C,165,0.765
p.R273C,166,0.763
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p.R273C,174,0.765
p.R273C,175,0.767
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