PyHDX v0.4.0b8+3.g8beaeb9.dirty 
2022/04/04 13:32:16 (1649071936) 

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: 3.745552486152599
mse_loss: 3.423048987339711
reg_loss: 0.3225034988128881
regularization_percentage: 8.610305155386062
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  22774.631506  22774.631506  8397.204956  0.025838  1325.815756
20                 D  22774.449421  22774.449421  8396.598357  0.029677  1170.468555
21                 I  16948.679189  16948.679189   832.350704  0.022174  1521.859849
22                 S  22276.110094  22276.110094  6890.299107  0.030071   779.435052
23                 F  22240.936089  22240.936089  6794.812739  0.025363   872.145265
24                 E  21603.100579  21603.100579  5275.657497  0.025366   872.107509
25                 A  20218.548628  20218.548628  3045.890559  0.034906   698.058576
26                 P  20236.414306           NaN          NaN       NaN          NaN
27                 N  22029.339613  22029.339613  6247.680453  0.042723   668.755142
28                 A  22029.164730  22029.164730  6247.246983  0.050199   673.462292
29                 P  20145.970132           NaN          NaN       NaN          NaN
30                 H  19157.543749  19157.543749  1999.401857  0.042123   669.759848
31                 V  18138.135756  18138.135756  1334.298971  0.034928   698.154275
32                 F  18406.925209  18406.925209  1484.452652  0.042130   669.857438
33                 Q  20168.410760  20168.410760  2985.900939  0.066257  1014.574614
34                 K  20810.403484  20810.403484  3852.056025  0.000893  1435.863158