PyHDX 0.4.4+45.g73796dc.dirty 
2025/12/17 13:48:09 (1765975689) 

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: 3.8999804584456887
mse_loss: 3.5813702962568374
reg_loss: 0.3186101621888513
regularization_percentage: 8.169532272883009
epochs_run: 1000

state    SecB WT apo                                                                
quantity    sequence           _dG            dG        pfact     k_obs   covariance
r_number                                                                            
10                 T  19735.700403  19735.700403  2514.885122  0.065427  1567.049409
11                 F  19735.977796  19735.977796  2515.161909  0.054414  1513.248275
12                 Q  20617.384317  20617.384317  3568.082071  0.055449   961.610130
13                 I  17578.145925  17578.145925  1068.477268  0.041426   934.932246
14                 Q  19302.074264  19302.074264  2117.401011  0.047912   940.751103
15                 R  21546.230151  21546.230151  5157.956245  0.055448   961.534384
16                 I  17539.759792  17539.759792  1052.328289  0.044044   936.258163
17                 Y  17540.013926  17540.013926  1052.434395  0.045065   937.173972
18                 T  19410.146753           NaN          NaN       NaN          NaN
19                 K  22852.788859  22852.788859  8661.667155  0.025049  1355.931650
20                 D  22852.668223  22852.668223  8661.252605  0.028771  1198.903928
21                 I  17026.722324  17026.722324   858.525914  0.021499  1532.683965
22                 S  22457.307615  22457.307615  7403.872493  0.027985   808.632811
23                 F  22419.382858  22419.382858  7293.305167  0.023630   904.201524
24                 E  21781.535108  21781.535108  5662.671614  0.023632   904.158317
25                 A  20447.935824  20447.935824  3336.094704  0.031871   709.548280
26                 P  20321.408559           NaN          NaN       NaN          NaN
27                 N  22345.307595  22345.307595  7082.082867  0.037690   669.546216
28                 A  22345.244072  22345.244072  7081.904385  0.044283   655.626168
29                 P  20143.130903           NaN          NaN       NaN          NaN
30                 H  19477.927555  19477.927555  2270.404013  0.037097   672.390279
31                 V  18461.710643  18461.710643  1517.071460  0.030723   721.806962
32                 F  18727.189758  18727.189758  1685.578008  0.037106   672.436405
33                 Q  20003.752364  20003.752364  2797.076074  0.070728   994.411487
34                 K  19827.584919  19827.584919  2608.255423  0.083164  1793.001526