PyHDX v0.4.1+101.gdc82a4a.dirty 
2022/10/12 17:43:23 (1665589403) 

Metadata
--------
r1: 2
epochs: 1000
patience: 50
stop_loss: 5.0e-06
optimizer: SGD
lr: 10000.0
momentum: 0.5
nesterov: true
model_name: DeltaGFit
total_loss: 3.9010414755569216
mse_loss: 3.5819585237492655
reg_loss: 0.3190829518076561
regularization_percentage: 8.179429872944457
epochs_run: 1000

state    SecB WT apo                                                                
quantity    sequence           _dG            dG        pfact     k_obs   covariance
r_number                                                                            
10                 T  19757.281204  19757.281204  2536.510042  0.064870  1568.431120
11                 F  19757.556765  19757.556765  2536.787365  0.053950  1517.210991
12                 Q  20628.923692  20628.923692  3584.454755  0.055196   965.976959
13                 I  17589.484845  17589.484845  1073.294776  0.041241   941.055158
14                 Q  19313.523882  19313.523882  2127.041279  0.047695   945.846480
15                 R  21557.768144  21557.768144  5181.621468  0.055195   965.901531
16                 I  17551.395461  17551.395461  1057.197444  0.043841   941.899543
17                 Y  17551.182008  17551.182008  1057.107918  0.044866   942.660719
18                 T  19414.645221           NaN          NaN       NaN          NaN
19                 K  22846.842848  22846.842848  8641.258082  0.025109  1351.340154
20                 D  22847.045742  22847.045742  8641.953702  0.028835  1195.333594
21                 I  17021.208491  17021.208491   856.649881  0.021546  1528.381938
22                 S  22454.087883  22454.087883  7394.420803  0.028021   807.449669
23                 F  22416.361629  22416.361629  7284.568296  0.023658   902.794053
24                 E  21778.513969  21778.513969  5655.888330  0.023661   902.751080
25                 A  20448.898861  20448.898861  3337.369594  0.031858   709.057963
26                 P  20323.914306           NaN          NaN       NaN          NaN
27                 N  22345.881586  22345.881586  7083.695829  0.037682   669.073804
28                 A  22345.813560  22345.813560  7083.504652  0.044273   655.170339
29                 P  20145.970132           NaN          NaN       NaN          NaN
30                 H  19478.505818  19478.505818  2270.924952  0.037089   671.914257
31                 V  18462.295592  18462.295592  1517.423574  0.030715   721.247237
32                 F  18727.769836  18727.769836  1685.965974  0.037097   671.960563
33                 Q  20048.446554  20048.446554  2847.116357  0.069485   979.654480
34                 K  19827.157245  19827.157245  2607.812902  0.083178  1793.630149