Datasets:
id
stringclasses 10
values | complex_id
stringclasses 10
values | partner_a
stringclasses 10
values | partner_b
stringclasses 10
values | interface_residue_count
int64 28
75
| contact_density
float64 0.49
0.8
| baseline_deltaG_bind
float64 -14.2
-8.4
| baseline_kd_nM
float64 0.9
55
| contact_stability_score
float64 0.63
0.91
| hotspot_integrity_score
float64 0.52
0.89
| allosteric_cross_interface_score
float64 0.44
0.78
| interface_coherence_score
float64 0.58
0.9
| signal_paths
stringclasses 10
values | baseline_failure_margin
float64 0.12
0.36
| notes
stringclasses 10
values | constraints
stringclasses 1
value | gold_checklist
stringclasses 1
value |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ICBM-001
|
CX-ALPHA-01
|
KinaseA
|
RegB
| 42
| 0.68
| -10.8
| 8.5
| 0.81
| 0.76
| 0.62
| 0.78
|
A:120>135>148|B:55>60>72
| 0.24
|
Tight interface
|
<=300 words
|
coherence+paths+margin
|
ICBM-002
|
CX-ALPHA-02
|
TFX
|
CoActY
| 35
| 0.54
| -9.2
| 22
| 0.72
| 0.61
| 0.58
| 0.69
|
A:44>51>70|B:180>192>201
| 0.19
|
Moderate coupling
|
<=300 words
|
coherence+paths+margin
|
ICBM-003
|
CX-ALPHA-03
|
EnzC
|
ScafD
| 58
| 0.73
| -12.1
| 3.2
| 0.86
| 0.83
| 0.7
| 0.84
|
A:210>228>240|B:12>18>30
| 0.3
|
High coherence
|
<=300 words
|
coherence+paths+margin
|
ICBM-004
|
CX-ALPHA-04
|
ReceptorE
|
LigF
| 28
| 0.49
| -8.4
| 55
| 0.63
| 0.52
| 0.44
| 0.58
|
A:15>22>31|B:88>95>110
| 0.12
|
Shallow interface
|
<=300 words
|
coherence+paths+margin
|
ICBM-005
|
CX-ALPHA-05
|
ProtG
|
ProtH
| 64
| 0.77
| -13
| 1.8
| 0.88
| 0.85
| 0.74
| 0.86
|
A:300>318>330|B:140>152>165
| 0.33
|
Robust hotspot core
|
<=300 words
|
coherence+paths+margin
|
ICBM-006
|
CX-ALPHA-06
|
ChaperI
|
ClientJ
| 46
| 0.61
| -10.1
| 12.5
| 0.79
| 0.68
| 0.57
| 0.73
|
A:90>102>118|B:400>412>430
| 0.21
|
Client-specific coupling
|
<=300 words
|
coherence+paths+margin
|
ICBM-007
|
CX-ALPHA-07
|
SignalK
|
AdaptorL
| 31
| 0.52
| -9
| 28
| 0.7
| 0.6
| 0.51
| 0.66
|
A:5>11>19|B:210>222>235
| 0.17
|
Edge contacts matter
|
<=300 words
|
coherence+paths+margin
|
ICBM-008
|
CX-ALPHA-08
|
ComplexM
|
ComplexN
| 75
| 0.8
| -14.2
| 0.9
| 0.91
| 0.89
| 0.78
| 0.9
|
A:155>170>188|B:60>72>90
| 0.36
|
Very high coherence
|
<=300 words
|
coherence+paths+margin
|
ICBM-009
|
CX-ALPHA-09
|
MotorO
|
TrackP
| 38
| 0.57
| -9.6
| 18
| 0.74
| 0.66
| 0.55
| 0.7
|
A:240>255>270|B:20>28>40
| 0.2
|
Directionality signal
|
<=300 words
|
coherence+paths+margin
|
ICBM-010
|
CX-ALPHA-10
|
EnzQ
|
RegR
| 53
| 0.7
| -11.4
| 5.6
| 0.83
| 0.79
| 0.67
| 0.81
|
A:60>74>88|B:310>326>340
| 0.28
|
Coherent interface basin
|
<=300 words
|
coherence+paths+margin
|
What this dataset tests
Whether a model can construct
a stable baseline map
of protein–protein interface coherence.
This is the intact coupling state.
No stress applied.
No mutation applied.
The target is the interface basin.
Inputs
interface_residue_count
contact_density
baseline_deltaG_bind
baseline_kd_nM
contact_stability_score
hotspot_integrity_score
allosteric_cross_interface_score
Required outputs
interface_coherence_score
signal_paths
baseline_failure_margin
Task
Given baseline interface metrics
predict:
- interface coherence score
- cross-interface signal paths
- the failure margin before instability
Use cases
Biologic complex design
Synthetic pathway assembly
Protein engineering QC
Baseline maps for stress testing
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