protein_id
stringlengths 7
36
| category
stringclasses 5
values | CARP
float64 -0.91
1
| ESM1b
float64 -0.96
1
| ESM1v
float64 -1
1
| ESM2-650M
float64 -0.94
1
| ESM_IF1
float64 -1
1
| ESM_IF1_multichain
float64 -0.71
1
⌀ | GEMME
float64 -0.96
1
| MIF
float64 -0.85
1
| MIFST
float64 -0.95
1
| MSA_Transformer
float64 -1
1
| MULAN_small
float64 -0.94
1
| PoET
float64 -0.94
1
| VenusREM
float64 -1
1
| ProSSN
float64 -0.96
1
| ProSST-2048
float64 -1
1
| Progen2-large
float64 -0.9
1
| ProtGPT2
float64 -0.9
1
| ProteinMPNN
float64 -0.94
1
| ProteinMPNN_multichain
float64 -0.67
0.99
⌀ | RITA-xlarge
float64 -0.94
1
| SaProt_650M_PDB
float64 -0.99
1
| Tranception_L
float64 -0.9
1
| Tranception_no_retrieval_L
float64 -0.9
1
| UniRep
float64 -1
1
| VESPA
float64 -1
1
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1BXZ_ee
|
selectivity
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| null | 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.714286
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.571429
| 0.714286
| null | 0.857143
| 0.714286
| 0.857143
| 0.857143
| 0.571429
| 0.857143
|
1MLC_2_Kd-wtKd-mut
|
small_molecule_binding
| 0.428571
| 0.428571
| 0.428571
| 0.571429
| 0.571429
| null | 0.571429
| 0.571429
| 0.571429
| 0.714286
| 0.428571
| 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.428571
| 0.714286
| 0.285714
| null | 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.571429
|
1Z42_ee_1
|
selectivity
| 0.828571
| 0.857143
| 0.857143
| 0.828571
| 0.857143
| null | 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.8
| 0.857143
| 0.857143
| 0.857143
| 0.828571
| 0.742857
| 0.685714
| null | 0.857143
| 0.828571
| 0.857143
| 0.857143
| 0.542857
| 0.857143
|
1Z42_ee_2
|
selectivity
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| null | 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.37931
| null | 0.413793
| 0.413793
| 0.413793
| 0.413793
| 0.62069
| 0.413793
|
1Z42_ee_3
|
selectivity
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| null | 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.793103
| 0.655172
| 0.655172
| null | 0.793103
| 0.793103
| 0.413793
| 0.344828
| 0.586207
| 0.793103
|
2Q0Q_ee_1
|
selectivity
| 0.488889
| 0.422222
| 0.577778
| 0.466667
| 0.511111
| null | 0.422222
| 0.444444
| 0.444444
| 0.466667
| 0.4
| 0.488889
| 0.422222
| 0.422222
| 0.4
| 0.422222
| 0.577778
| 0.488889
| null | 0.533333
| 0.466667
| 0.511111
| 0.511111
| 0.422222
| 0.422222
|
2Q0Q_ee_2
|
selectivity
| 0.666667
| 0.487179
| 0.641026
| 0.589744
| 0.538462
| null | 0.487179
| 0.512821
| 0.512821
| 0.538462
| 0.461538
| 0.641026
| 0.487179
| 0.487179
| 0.512821
| 0.564103
| 0.435897
| 0.589744
| null | 0.692308
| 0.564103
| 0.615385
| 0.641026
| 0.487179
| 0.487179
|
2YLR_ee
|
selectivity
| 0.230769
| 0.358974
| 0.25641
| 0.230769
| 0.358974
| null | 0.358974
| 0.358974
| 0.358974
| 0.358974
| 0.307692
| 0.25641
| 0.230769
| 0.358974
| 0.230769
| 0.25641
| 0.307692
| 0.666667
| null | 0.230769
| 0.358974
| 0.384615
| 0.461538
| 0.564103
| 0.358974
|
3FCR_activity-substrate-1
|
activity
| 0.5
| 0.125
| 0.25
| 0.5
| 0.5
| null | 0.125
| 0.125
| 0.25
| 0.125
| 0.625
| 0.375
| 0.125
| 0.125
| 0.125
| 0.125
| 0.5
| 0.25
| null | 0.125
| 0.125
| 0.125
| 0.125
| 0.75
| 0.125
|
3FCR_activity-substrate-2
|
activity
| 0.75
| 0.375
| 0.5
| 0.75
| 0.5
| null | 0.375
| 0.375
| 0.5
| 0.375
| 0.625
| 0.625
| 0.375
| 0.375
| 0.375
| 0.375
| 0.5
| 0.75
| null | 0.375
| 0.375
| 0.375
| 0.375
| 0.5
| 0.375
|
4OVI_ee_2
|
selectivity
| 1
| 0.642857
| 0.928571
| 1
| 0.642857
| null | 0.642857
| 0.642857
| 0.642857
| 0.642857
| 0.714286
| 0.928571
| 1
| 0.642857
| 1
| 0.928571
| 0.857143
| 0.642857
| null | 1
| 0.642857
| 0.857143
| 0.928571
| 0.428571
| 0.642857
|
4OVI_ee_3
|
selectivity
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| null | 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| null | 0.6
| 0.6
| 0.6
| 0.6
| 0.6
| 0.6
|
4OVI_ee_4_substreate_1a
|
selectivity
| 0.5
| 0.666667
| 0.333333
| 0.5
| 0.666667
| null | 0.666667
| 0.666667
| 0.666667
| 0.666667
| 0.333333
| 0.333333
| 0.5
| 0.666667
| 0.5
| 0.5
| 0.5
| 0.5
| null | 0.5
| 0.666667
| 0.666667
| 0.666667
| 0.5
| 0.666667
|
5A71_ee
|
selectivity
| 0.5
| 0.5
| 0.5
| 0.5
| 0.285714
| null | 0.357143
| 0.571429
| 0.285714
| 0.428571
| 0.428571
| 0.5
| 0.428571
| 0.428571
| 0.5
| 0.428571
| 0.642857
| 0.571429
| null | 0.5
| 0.5
| 0.428571
| 0.357143
| 0.428571
| 0.428571
|
5A71_kcat
|
activity
| 0.5
| 0.333333
| 0.5
| 0.5
| 0.333333
| null | 0.333333
| 0.333333
| 0.333333
| 0.333333
| 0.166667
| 0.5
| 0.333333
| 0.333333
| 0.333333
| 0.5
| 0.333333
| 0.333333
| null | 0.5
| 0.333333
| 0.5
| 0.5
| 0.666667
| 0.333333
|
5A71_kcatkm
|
activity
| 0.666667
| 0.5
| 0.666667
| 0.666667
| 0.5
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.666667
| 0.666667
| 0.5
| 0.5
| 0.5
| 0.666667
| 0.5
| 0.5
| null | 0.666667
| 0.5
| 0.666667
| 0.666667
| 0.5
| 0.5
|
5Z2X_ee
|
selectivity
| 0.65
| 0.35
| 0.45
| 0.55
| 0.4
| null | 0.3
| 0.4
| 0.4
| 0.6
| 0.3
| 0.55
| 0.45
| 0.6
| 0.45
| 0.45
| 0.45
| 0.3
| null | 0.35
| 0.6
| 0.55
| 0.5
| 0.65
| 0.45
|
6JXG_activity
|
activity
| 0.285714
| 0.714286
| 0.428571
| 0.428571
| 0.571429
| null | 0.857143
| 0.857143
| 0.714286
| 0.571429
| 0.428571
| 0.428571
| 0.714286
| 0.857143
| 0.714286
| 0.428571
| 0.571429
| 0.285714
| null | 0.285714
| 0.571429
| 0.285714
| 0.285714
| 0.857143
| 0.857143
|
7LOO_activity
|
activity
| 0.588235
| 0.588235
| 0.588235
| 0.705882
| 0.588235
| null | 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.529412
| 0.588235
| null | 0.588235
| 0.588235
| 0.588235
| 0.588235
| 0.411765
| 0.588235
|
7YVR_activity
|
activity
| 0.678261
| 0.808696
| 0.704348
| 0.713043
| 0.765217
| null | 0.817391
| 0.808696
| 0.8
| 0.773913
| 0.713043
| 0.721739
| 0.817391
| 0.817391
| 0.817391
| 0.643478
| 0.582609
| 0.356522
| null | 0.66087
| 0.730435
| 0.73913
| 0.678261
| 0.426087
| 0.817391
|
7YVR_de
|
selectivity
| 0.847682
| 0.92053
| 0.847682
| 0.774834
| 0.675497
| null | 0.92053
| 0.834437
| 0.92053
| 0.913907
| 0.629139
| 0.821192
| 0.887417
| 0.92053
| 0.887417
| 0.84106
| 0.695364
| 0.860927
| null | 0.880795
| 0.86755
| 0.887417
| 0.900662
| 0.615894
| 0.92053
|
A0A059TC02_activity
|
activity
| 0.4
| 0.4
| 0.4
| 0.4
| 0.6
| null | 0.4
| 0.6
| 0.4
| 0.4
| 0.6
| 0.4
| 0.4
| 0.4
| 0.4
| 0.4
| 0.4
| 0.6
| null | 0.4
| 0.4
| 0.4
| 0.4
| 0.4
| 0.4
|
A0A0H2V871_DGE_activity
|
activity
| 0.692308
| 1
| 0.769231
| 0.615385
| 0.923077
| null | 1
| 1
| 1
| 0.846154
| 0.538462
| 0.769231
| 1
| 1
| 1
| 0.846154
| 0.846154
| 0.538462
| null | 0.923077
| 0.692308
| 1
| 1
| 0.153846
| 1
|
A0A0H2V871_Ent_activity
|
activity
| 0.692308
| 1
| 0.769231
| 0.615385
| 0.923077
| null | 1
| 1
| 1
| 0.846154
| 0.538462
| 0.769231
| 1
| 1
| 1
| 0.846154
| 0.846154
| 0.846154
| null | 0.923077
| 0.692308
| 1
| 1
| 0.153846
| 1
|
A0A0I9QGZ2_ee_1
|
selectivity
| 0.3
| 0.3
| 0.3
| 0.3
| 0.3
| null | 0.3
| 0.4
| 0.3
| 0.3
| 0.3
| 0.3
| 0.3
| 0.3
| 0.3
| 0.3
| 0.3
| 0.6
| null | 0.3
| 0.3
| 0.2
| 0.2
| 0.8
| 0.3
|
A0A0I9QGZ2_ee_2
|
selectivity
| 0.1875
| 0.125
| 0.125
| 0.1875
| 0.1875
| null | 0.125
| 0.1875
| 0.125
| 0.125
| 0.1875
| 0.1875
| 0.125
| 0.125
| 0.125
| 0.125
| 0.4375
| 0.3125
| null | 0.125
| 0.1875
| 0.125
| 0.125
| 0.5625
| 0.125
|
A0A0I9QGZ2_kcat
|
activity
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| null | 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.4
| null | 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
|
A0A0I9QGZ2_kcatkm
|
activity
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| null | 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.4
| null | 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
|
A0A0I9QGZ2_km
|
activity
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| null | 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.4
| null | 0.2
| 0.2
| 0.2
| 0.2
| 0.2
| 0.2
|
A0A0K8P6T7_TPA_activity
|
activity
| 0.588235
| 0.647059
| 0.647059
| 0.588235
| 0.705882
| null | 0.647059
| 0.588235
| 0.705882
| 0.705882
| 0.470588
| 0.705882
| 0.705882
| 0.647059
| 0.647059
| 0.647059
| 0.411765
| 0.588235
| null | 0.470588
| 0.647059
| 0.470588
| 0.411765
| 0.588235
| 0.588235
|
A0A0K8P6T7_activity
|
activity
| 0.785714
| 0.928571
| 0.785714
| 0.857143
| 0.857143
| null | 1
| 0.928571
| 0.928571
| 0.928571
| 0.571429
| 0.857143
| 0.857143
| 0.928571
| 0.928571
| 0.928571
| 0.785714
| 0.928571
| null | 0.714286
| 1
| 0.785714
| 0.785714
| 0.285714
| 0.928571
|
A0A0K8P8E7_activity
|
activity
| 0.555556
| 0.777778
| 0.611111
| 0.444444
| 0.722222
| null | 0.777778
| 0.833333
| 0.777778
| 0.777778
| 0.444444
| 0.666667
| 0.777778
| 0.777778
| 0.777778
| 0.555556
| 0.555556
| 0.666667
| null | 0.5
| 0.833333
| 0.777778
| 0.555556
| 0.722222
| 0.777778
|
A0A0P0ZBS7_activity
|
activity
| 1
| 1
| 1
| 1
| 1
| null | 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 0.833333
| 0.833333
| null | 1
| 1
| 1
| 1
| 0.333333
| 1
|
A0A7I6N400_ee
|
selectivity
| 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.571429
| null | 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.142857
| 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.714286
| 0.428571
| 0.571429
| null | 0.428571
| 0.714286
| 0.571429
| 0.571429
| 0.714286
| 0.571429
|
A0MGZ7_substrate_VII_activity
|
activity
| 0
| 0.214286
| 0
| 0.142857
| 0
| null | 0.214286
| 0.357143
| 0.857143
| 0
| 0.857143
| 0
| 0.142857
| 0.142857
| 0.214286
| 0.214286
| 0.642857
| 0.857143
| null | 0.071429
| 0
| 0.428571
| 0.571429
| 0.857143
| 0
|
A0MGZ7_substrate_VI_activity
|
activity
| 0.052632
| 0.315789
| 0
| 0.210526
| 0.052632
| null | 0.368421
| 0.526316
| 0.894737
| 0.052632
| 0.842105
| 0
| 0.210526
| 0.157895
| 0.263158
| 0.315789
| 0.736842
| 0.894737
| null | 0.105263
| 0
| 0.526316
| 0.684211
| 0.894737
| 0
|
A2QAN3_kcat
|
activity
| 1
| 0.8
| 1
| 1
| 0.6
| null | 0.8
| 0.8
| 0.8
| 1
| 0.8
| 1
| 0.8
| 0.8
| 0.8
| 1
| 0.4
| 0.4
| null | 1
| 1
| 1
| 0.8
| 1
| 0.8
|
A2QAN3_kcatkm
|
activity
| 1
| 0.8
| 1
| 1
| 0.6
| null | 0.8
| 0.8
| 0.8
| 1
| 0.8
| 1
| 0.8
| 0.8
| 0.8
| 1
| 0.4
| 0.8
| null | 1
| 1
| 1
| 0.8
| 1
| 0.8
|
A2RJT9_DCIP_activity
|
activity
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| null | 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.545455
| 0.818182
| null | 0.909091
| 0.909091
| 0.909091
| 0.909091
| 0.363636
| 0.909091
|
A2RJT9_oxygen_activity
|
activity
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| null | 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.545455
| 0.363636
| null | 0.727273
| 0.727273
| 0.727273
| 0.727273
| 0.363636
| 0.727273
|
A4QAA6_activity
|
activity
| 0.571429
| 0.571429
| 0.428571
| 0.714286
| 0.428571
| null | 0.571429
| 0.571429
| 0.571429
| 0.428571
| 0.428571
| 0.428571
| 0.571429
| 0.571429
| 0.571429
| 0.428571
| 0.714286
| 1
| null | 0.571429
| 0.714286
| 0.428571
| 0.428571
| 0.571429
| 0.571429
|
A4XGA6_M5_Epimerization_activity
|
activity
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 1
| null | 1
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.714286
| 0.714286
| null | 0.857143
| 0.857143
| 0.857143
| 0.714286
| 0.428571
| 0.857143
|
A4XGA6_M5_Isomerization_activity
|
activity
| 0.571429
| 0.857143
| 0.571429
| 0.571429
| 0.714286
| null | 0.714286
| 0.857143
| 0.571429
| 0.571429
| 0.571429
| 0.571429
| 0.714286
| 0.857143
| 0.857143
| 0.571429
| 0.428571
| 0.571429
| null | 0.571429
| 0.571429
| 0.571429
| 0.714286
| 0.428571
| 0.857143
|
ACY56506_1_km
|
activity
| 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| null | 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| 0.8
| 0.6
| 0.8
| null | 0.8
| 0.8
| 0.8
| 0.8
| 0.6
| 0.8
|
AHW42593_1_activity
|
activity
| 0.833333
| 0.833333
| 0.833333
| 0.666667
| 0.833333
| null | 0.833333
| 0.833333
| 0.833333
| 0.5
| 0.833333
| 0.833333
| 0.333333
| 0.666667
| 0.333333
| 0.5
| 0.666667
| 0.166667
| null | 0.833333
| 0.833333
| 0.833333
| 0.5
| 0.333333
| 0.833333
|
AHZ56660_1_kcat
|
activity
| 0.6
| 0.8
| 0.6
| 0.6
| 0.8
| null | 0.8
| 0.8
| 0.8
| 0.8
| 0.4
| 0.8
| 0.8
| 0.8
| 0.8
| 0.6
| 0.6
| 0.4
| null | 0.6
| 0.6
| 0.6
| 0.6
| 0.8
| 0.8
|
AHZ56660_1_km
|
activity
| 0.6
| 0.8
| 1
| 0.6
| 0.8
| null | 0.8
| 0.8
| 0.8
| 0.8
| 0.6
| 0.8
| 0.8
| 0.8
| 0.8
| 0.6
| 1
| 0.6
| null | 1
| 1
| 1
| 1
| 0.8
| 0.8
|
ALB07219_1_activity
|
activity
| 0.142857
| 0.142857
| 0.285714
| 0.142857
| 1
| null | 0.142857
| 0.428571
| 0.142857
| 0.142857
| 1
| 0.142857
| 0.142857
| 0.142857
| 0.142857
| 0.428571
| 0.428571
| 0.142857
| null | 0.571429
| 0.857143
| 0.285714
| 0.714286
| 0.285714
| 0.142857
|
BAA88830_1_activity
|
activity
| 0.631579
| 0.473684
| 0.736842
| 0.684211
| 0.631579
| null | 0.578947
| 0.315789
| 0.473684
| 0.578947
| 0.631579
| 0.736842
| 0.368421
| 0.421053
| 0.473684
| 0.473684
| 0.473684
| 0.684211
| null | 0.473684
| 0.631579
| 0.789474
| 0.736842
| 0.368421
| 0.368421
|
BAA_activity
|
activity
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.666667
| 0.666667
| 0.333333
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.666667
| 0.5
|
BindingDB_O60885_227644_Kd
|
small_molecule_binding
| 0.888889
| 1
| 1
| 1
| 0.777778
| null | 1
| 1
| 1
| 1
| 0.777778
| 1
| 1
| 1
| 1
| 1
| 1
| 0.888889
| null | 1
| 1
| 1
| 1
| 0.444444
| 1
|
BindingDB_P00519_13216_Kd
|
small_molecule_binding
| 0.888889
| 0.888889
| 0.777778
| 0.666667
| 0.777778
| null | 0.888889
| 0.777778
| 0.888889
| 0.888889
| 0.666667
| 0.777778
| 0.888889
| 0.888889
| 0.888889
| 0.888889
| 0.888889
| 0.777778
| null | 0.888889
| 0.777778
| 0.888889
| 0.888889
| 0.444444
| 0.888889
|
BindingDB_P00519_13530_Kd
|
small_molecule_binding
| 1
| 1
| 0.875
| 0.75
| 0.875
| null | 1
| 0.875
| 1
| 1
| 0.75
| 0.875
| 1
| 1
| 1
| 1
| 1
| 0.75
| null | 1
| 0.875
| 1
| 1
| 0.375
| 1
|
BindingDB_P00519_13534_Kd
|
small_molecule_binding
| 0.333333
| 0.333333
| 0.444444
| 0.555556
| 0.444444
| null | 0.333333
| 0.444444
| 0.333333
| 0.333333
| 0.555556
| 0.444444
| 0.333333
| 0.333333
| 0.333333
| 0.333333
| 0.333333
| 0.444444
| null | 0.333333
| 0.444444
| 0.444444
| 0.444444
| 0.777778
| 0.333333
|
BindingDB_P00519_4814_Kd
|
small_molecule_binding
| 0.25
| 0.25
| 0.375
| 0.5
| 0.375
| null | 0.25
| 0.375
| 0.25
| 0.25
| 0.5
| 0.375
| 0.25
| 0.25
| 0.25
| 0.25
| 0.25
| 0.25
| null | 0.25
| 0.375
| 0.5
| 0.5
| 0.75
| 0.25
|
BindingDB_P00519_6572_Kd
|
small_molecule_binding
| 0.555556
| 0.555556
| 0.666667
| 0.777778
| 0.666667
| null | 0.555556
| 0.666667
| 0.555556
| 0.555556
| 0.777778
| 0.666667
| 0.555556
| 0.555556
| 0.555556
| 0.555556
| 0.555556
| 0.888889
| null | 0.555556
| 0.666667
| 0.666667
| 0.666667
| 0.555556
| 0.555556
|
BindingDB_P00519_693815_IC50
|
small_molecule_binding
| 0.9
| 0.9
| 0.9
| 0.6
| 0.8
| null | 0.9
| 0.7
| 0.9
| 0.9
| 0.8
| 0.7
| 0.8
| 0.9
| 0.8
| 0.9
| 0.8
| 0.5
| null | 0.9
| 0.9
| 0.9
| 0.8
| 0.3
| 0.9
|
BindingDB_P00519_693816_IC50
|
small_molecule_binding
| 0.818182
| 0.818182
| 0.818182
| 0.636364
| 0.636364
| null | 0.818182
| 0.636364
| 0.818182
| 0.818182
| 0.818182
| 0.727273
| 0.818182
| 0.818182
| 0.727273
| 0.818182
| 0.818182
| 0.727273
| null | 0.818182
| 0.727273
| 0.818182
| 0.818182
| 0.272727
| 0.818182
|
BindingDB_P08483_214800_Kd
|
small_molecule_binding
| 0.933333
| 0.933333
| 0.933333
| 0.866667
| 0.933333
| null | 0.933333
| 0.933333
| 0.933333
| 0.933333
| 0.933333
| 0.933333
| 0.933333
| 0.866667
| 0.933333
| 0.933333
| 0.466667
| 0.866667
| null | 0.933333
| 0.933333
| 0.933333
| 0.933333
| 0.133333
| 0.933333
|
BindingDB_P08483_50004656_Ki
|
small_molecule_binding
| 0.266667
| 0.266667
| 0.266667
| 0.2
| 0.266667
| null | 0.266667
| 0.266667
| 0.266667
| 0.266667
| 0.266667
| 0.266667
| 0.266667
| 0.2
| 0.266667
| 0.266667
| 0.6
| 0.266667
| null | 0.266667
| 0.266667
| 0.266667
| 0.266667
| 0.8
| 0.266667
|
BindingDB_P08581_516918_IC50
|
small_molecule_binding
| 0.875
| 0.875
| 0.875
| 0.875
| 0.375
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.625
| 0.625
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.25
| 0.875
|
BindingDB_P08581_516919_IC50
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.5
| null | 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 0.5
| 0.125
| null | 1
| 1
| 1
| 1
| 0.125
| 1
|
BindingDB_P08581_516963_IC50
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.5
| null | 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 0.5
| 0.75
| null | 1
| 1
| 1
| 1
| 0.125
| 1
|
BindingDB_P08581_516969_IC50
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.5
| null | 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 0.5
| 0.25
| null | 1
| 1
| 1
| 1
| 0.125
| 1
|
BindingDB_P08581_516999_IC50
|
small_molecule_binding
| 0.875
| 0.875
| 0.875
| 0.875
| 0.375
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.375
| 0.75
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.25
| 0.875
|
BindingDB_P08581_517000_IC50
|
small_molecule_binding
| 0.75
| 0.75
| 0.75
| 0.75
| 0.625
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.5
| 0.75
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.375
| 0.75
|
BindingDB_P08581_517003_IC50
|
small_molecule_binding
| 0.5
| 0.5
| 0.5
| 0.5
| 0.375
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.625
| null | 0.5
| 0.5
| 0.625
| 0.5
| 0.625
| 0.5
|
BindingDB_P08581_517112_IC50
|
small_molecule_binding
| 0.875
| 0.875
| 0.875
| 0.875
| 0.625
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.375
| 0.375
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.25
| 0.875
|
BindingDB_P08581_517113_IC50
|
small_molecule_binding
| 0.875
| 0.875
| 0.875
| 0.875
| 0.5
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.375
| 0.375
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.25
| 0.875
|
BindingDB_P08581_517126_IC50
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.5
| null | 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 0.5
| 0.625
| null | 1
| 1
| 1
| 1
| 0.125
| 1
|
BindingDB_P21554_21278_Kd
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.888889
| null | 1
| 1
| 1
| 1
| 1
| 1
| 1
| 1
| 0.888889
| 1
| 0.777778
| 0.555556
| null | 1
| 0.888889
| 1
| 1
| 0.444444
| 1
|
BindingDB_P21554_50072775_Kd
|
small_molecule_binding
| 0.888889
| 0.888889
| 0.888889
| 0.888889
| 0.666667
| null | 0.888889
| 0.888889
| 0.888889
| 0.888889
| 0.888889
| 0.888889
| 1
| 0.888889
| 1
| 0.888889
| 0.666667
| 1
| null | 0.888889
| 0.777778
| 0.888889
| 0.888889
| 0.555556
| 0.888889
|
BindingDB_P36888_621080_Kd
|
small_molecule_binding
| 0.625
| 0.625
| 0.625
| 0.375
| 0.375
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.5
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
|
BindingDB_P36888_621098_Kd
|
small_molecule_binding
| 0.25
| 0.25
| 0.25
| 0.5
| 0.5
| null | 0.25
| 0.25
| 0.25
| 0.25
| 0.25
| 0.375
| 0.25
| 0.25
| 0.25
| 0.25
| 0.25
| 0.875
| null | 0.25
| 0.25
| 0.25
| 0.25
| 0.75
| 0.25
|
BindingDB_P36888_621116_Kd
|
small_molecule_binding
| 0.875
| 0.875
| 0.875
| 0.625
| 0.75
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.75
| 0.875
| 0.875
| 0.875
| 0.875
| 0.875
| 0.5
| null | 0.875
| 0.875
| 0.875
| 0.875
| 0.375
| 0.875
|
BindingDB_P36888_621117_Kd
|
small_molecule_binding
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.75
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.5
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.375
| 0.625
|
BindingDB_P36888_621136_Kd
|
small_molecule_binding
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.625
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
|
BindingDB_P36888_621137_Kd
|
small_molecule_binding
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.625
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.625
| null | 0.5
| 0.5
| 0.5
| 0.5
| 0.5
| 0.5
|
BindingDB_P36888_621161_Kd
|
small_molecule_binding
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.75
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.375
| 0.625
|
BindingDB_P36888_621166_Kd
|
small_molecule_binding
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.875
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.875
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.25
| 0.75
|
BindingDB_P36888_621167_Kd
|
small_molecule_binding
| 0.625
| 0.625
| 0.625
| 0.375
| 0.375
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.5
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.625
| 0.625
|
BindingDB_P36888_621169_Kd
|
small_molecule_binding
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.875
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.5
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.25
| 0.75
|
BindingDB_P41145_21130_Ki
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.846154
| null | 1
| 1
| 1
| 1
| 0.961538
| 1
| 1
| 1
| 1
| 1
| 0.653846
| 0.884615
| null | 1
| 0.923077
| 1
| 1
| 0.307692
| 1
|
BindingDB_P41145_214798_Ki
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 0.807692
| null | 1
| 1
| 1
| 1
| 0.961538
| 1
| 1
| 1
| 1
| 1
| 0.653846
| 0.923077
| null | 1
| 0.923077
| 1
| 1
| 0.307692
| 1
|
BindingDB_P41145_214799_Ki
|
small_molecule_binding
| 0.269231
| 0.269231
| 0.269231
| 0.269231
| 0.5
| null | 0.269231
| 0.269231
| 0.269231
| 0.269231
| 0.307692
| 0.269231
| 0.269231
| 0.269231
| 0.269231
| 0.269231
| 0.384615
| 0.615385
| null | 0.269231
| 0.346154
| 0.269231
| 0.269231
| 0.576923
| 0.269231
|
BindingDB_P41145_50001714_Kd
|
small_molecule_binding
| 0.807692
| 0.807692
| 0.807692
| 0.807692
| 0.615385
| null | 0.807692
| 0.807692
| 0.807692
| 0.807692
| 0.846154
| 0.807692
| 0.807692
| 0.807692
| 0.807692
| 0.807692
| 0.538462
| 0.692308
| null | 0.807692
| 0.884615
| 0.807692
| 0.807692
| 0.346154
| 0.807692
|
BindingDB_P41145_50159165_Ki
|
small_molecule_binding
| 0.961538
| 0.961538
| 0.961538
| 0.961538
| 0.807692
| null | 0.961538
| 0.961538
| 0.961538
| 0.961538
| 0.923077
| 0.961538
| 0.961538
| 0.961538
| 0.961538
| 0.961538
| 0.615385
| 0.692308
| null | 0.961538
| 0.884615
| 0.961538
| 0.961538
| 0.269231
| 0.961538
|
BindingDB_Q01827_50017712_IC50
|
small_molecule_binding
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| null | 0.75
| 0.75
| 0.75
| 0.75
| 0.5
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| 0.75
| null | 0.625
| 0.625
| 0.625
| 0.625
| 0.5
| 0.75
|
BindingDB_Q86TI2_213827_Ki
|
small_molecule_binding
| 0.666667
| 0.8
| 0.8
| 0.8
| 0.8
| null | 0.8
| 0.8
| 0.8
| 0.8
| 0.666667
| 0.666667
| 0.8
| 0.8
| 0.8
| 0.8
| 0.466667
| 0.8
| null | 0.8
| 0.8
| 0.8
| 0.8
| 0.666667
| 0.8
|
BindingDB_Q873X9_10850_Kd
|
small_molecule_binding
| 0.7
| 0.7
| 0.7
| 0.7
| 0.7
| null | 0.7
| 0.7
| 0.7
| 0.7
| 0.6
| 0.7
| 0.7
| 0.7
| 0.7
| 0.7
| 0.7
| 0.4
| null | 0.7
| 0.7
| 0.7
| 0.7
| 0.4
| 0.7
|
BindingDB_Q873X9_10854_Kd
|
small_molecule_binding
| 1
| 1
| 1
| 1
| 1
| null | 1
| 1
| 1
| 1
| 0.875
| 1
| 1
| 1
| 1
| 1
| 1
| 0.625
| null | 1
| 1
| 1
| 1
| 0.125
| 1
|
C6DAH4_activity
|
activity
| 0.923077
| 0.923077
| 0.923077
| 0.923077
| 0.692308
| null | 0.923077
| 0.769231
| 0.923077
| 0.923077
| 0.923077
| 1
| 0.923077
| 0.923077
| 0.923077
| 1
| 0.230769
| 0.615385
| null | 0.923077
| 1
| 1
| 0.923077
| 0.692308
| 0.923077
|
CCA64021_1_activity
|
activity
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 1
| null | 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.428571
| 0.857143
| 0.857143
| 0.857143
| 0.857143
| 0.571429
| 0.714286
| 0.714286
| null | 0.857143
| 0.714286
| 0.857143
| 0.857143
| 0.428571
| 0.857143
|
CQR83192_1_activity
|
activity
| 0.833333
| 1
| 0.833333
| 0.833333
| 0.666667
| null | 1
| 1
| 0.833333
| 1
| 0.5
| 0.833333
| 1
| 1
| 1
| 1
| 1
| 0.333333
| null | 1
| 0.666667
| 1
| 1
| 0.5
| 1
|
CQR83192_1_kcat
|
activity
| 0.6
| 0.6
| 0.4
| 0.6
| 0.4
| null | 0.6
| 0.6
| 0.6
| 0.2
| 0.2
| 0.6
| 0.4
| 0.4
| 0.4
| 0.6
| 0.8
| 0.8
| null | 0.6
| 0.4
| 0.4
| 0.6
| 0.6
| 0.8
|
Creatinase_dTm
|
stability
| 0.448276
| 0.586207
| 0.448276
| 0.413793
| 0.517241
| null | 0.655172
| 0.62069
| 0.655172
| 0.689655
| 0.551724
| 0.551724
| 0.655172
| 0.724138
| 0.689655
| 0.448276
| 0.551724
| 0.551724
| null | 0.551724
| 0.62069
| 0.517241
| 0.413793
| 0.448276
| 0.689655
|
D4Z2G1_activity
|
activity
| 0.7
| 0.7
| 0.7
| 0.7
| 0.7
| null | 0.7
| 0.7
| 0.7
| 0.7
| 0.4
| 0.7
| 0.7
| 0.7
| 0.7
| 0.7
| 0.9
| 0.6
| null | 0.7
| 0.7
| 0.7
| 0.7
| 0.5
| 0.7
|
E8RUP5_activity
|
activity
| 0.666667
| 0.833333
| 0.666667
| 0.666667
| 0.666667
| null | 0.666667
| 0.666667
| 0.666667
| 0.5
| 0.833333
| 0.666667
| 0.666667
| 0.666667
| 0.666667
| 0.666667
| 0.333333
| 0.333333
| null | 0.666667
| 0.666667
| 0.666667
| 0.666667
| 0.833333
| 0.666667
|
EHK72968_1_ee
|
selectivity
| 0.375
| 0.375
| 0.25
| 0.25
| 0.5
| null | 0.375
| 0.375
| 0.375
| 0.375
| 0.625
| 0.25
| 0.375
| 0.375
| 0.375
| 0.375
| 0.75
| 0.875
| null | 0.375
| 0.5
| 0.625
| 0.5
| 0.25
| 0.375
|
I6XD65_NAM_activity
|
activity
| 0.285714
| 0
| 0.285714
| 0.142857
| 0
| null | 0.142857
| 0.571429
| 0.571429
| 0.142857
| 0.571429
| 0.142857
| 0.428571
| 0.142857
| 0.428571
| 0.142857
| 0.142857
| 0.142857
| null | 0.428571
| 0.142857
| 0.142857
| 0.142857
| 0.285714
| 0
|
VenusMutHub Dataset
VenusMutHub is a comprehensive collection of protein mutation data designed for benchmarking and evaluating protein language models (PLMs) on various mutation effect prediction tasks. This repository contains mutation data across multiple protein properties including enzyme activity, binding affinity, stability, and selectivity.
Dataset Overview
VenusMutHub includes:
- Mutation data for hundreds of proteins across diverse functional categories
- Evaluation metrics for multiple protein language models
- Raw mutation data with sequence information and fitness scores
- DOI references for all data sources
Repository Structure
The repository is organized as follows:
/mutant
Contains raw mutation data organized by functional categories:
/activity: Enzyme activity data including kcat, km, and kcat/km measurements/dti_binding: Drug-target interaction binding data/ppi_binding: Protein-protein interaction binding data/selectivity: Enzyme selectivity data/stability: Protein stability measurements
Each CSV file in these directories follows the format:
mutant,mutated_sequence,fitness_score
Where:
mutant: The mutation(s) in standard notation (e.g., V109I)mutated_sequence: The full protein sequence with the mutation(s)fitness_score: The experimental measurement for the specific property
/single_mutant
Contains filtered mutation data that includes only single-point mutations, maintaining the same directory structure as /mutant. Only files with at least 5 single mutations are included.
/model_evaluation
Contains evaluation metrics for various protein language models on the mutation datasets:
accuracy.csv: Classification accuracy for each model on each datasetf1.csv: F1 scores for classification tasksndcg.csv: Normalized Discounted Cumulative Gain for ranking tasksspearman.csv: Spearman correlation coefficients for regression tasks
/doi.csv
Maps each dataset to its original publication DOI for proper citation and reference.
Usage
This dataset can be used for:
- Benchmarking protein language models on mutation effect prediction
- Training new models for specific mutation prediction tasks
- Comparative analysis of model performance across different protein properties
- Meta-analysis of mutation effects across protein families
Citation
If you use the VenusMutHub dataset in your research, please cite VenusMutHub directly.
License
This dataset is released under the MIT license.
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