PyHDX v0.4.1+101.gdc82a4a.dirty 
2022/10/12 17:44:14 (1665589454) 

Metadata
--------
r1: 1
r2: 1
r2_reference: false
epochs: 1000
patience: 50
stop_loss: 5.0e-06
optimizer: SGD
lr: 10000.0
momentum: 0.5
nesterov: true
model_name: DeltaGFit
total_loss: 3.4407049854708287
mse_loss: 3.253551544614695
reg_loss: 0.18715344085613372
regularization_percentage: 5.439392265434914
epochs_run: 1000

state    SecB WT apo                                                                 SecB his dimer apo                                                                
quantity    sequence           _dG            dG        pfact     k_obs   covariance           sequence           _dG            dG        pfact     k_obs   covariance
r_number                                                                                                                                                               
10                 T  19785.840336  19785.840336  2565.413684  0.064139  1453.555279                  T  19785.833626  19785.833626  2565.406854  0.064139  1711.919917
11                 F  19449.428121  19449.428121  2244.877314  0.060963  1436.781836                  F  19449.430879  19449.430879  2244.879770  0.060963  1691.533332
12                 Q  20696.962873  20696.962873  3682.531328  0.053726   839.798349                  Q  20696.886230  20696.886230  3682.419354  0.053728  1066.027090
13                 I  17096.487364  17096.487364   882.620736  0.050140   826.746419                  I  17096.382620  17096.382620   882.584058  0.050142  1060.112925
14                 Q  19100.419279  19100.419279  1954.597685  0.051900   832.869705                  Q  19100.386803  19100.386803  1954.572501  0.051901  1062.179705
15                 R  21625.792368  21625.792368  5323.367557  0.053726   839.726263                  R  21625.709546  21625.709546  5323.192640  0.053727  1065.947537
16                 I  17198.085032  17198.085032   918.924219  0.050431   827.796591                  I  17198.042325  17198.042325   918.908649  0.050432  1060.416525
17                 Y  17198.141556  17198.141556   918.944826  0.051605   832.227383                  Y  17198.087537  17198.087537   918.925132  0.051606  1062.181994
18                 T  19414.645221           NaN          NaN       NaN          NaN                  T  19414.645221           NaN          NaN       NaN          NaN
19                 K  22388.687791  22388.687791  7205.025749  0.030113  1075.062298                  K  22388.722908  22388.722908  7205.126131  0.030113  1136.146777
20                 D  22647.876674  22647.876674  7985.360549  0.031205  1040.244700                  D  22647.792244  22647.792244  7985.093071  0.031207  1097.289591
21                 I  16263.755741  16263.755741   634.296133  0.029087  1112.640427                  I  16263.756439  16263.756439   634.296309  0.029087  1178.100988
22                 S  22050.254448  22050.254448  6299.738105  0.032890   691.641302                  S  21971.471360  21971.471360  6105.875457  0.033934   716.886571
23                 F  21683.217637  21683.217637  5446.042085  0.031644   709.216437                  F  21603.306147  21603.306147  5276.087784  0.032663   733.816915
24                 E  21045.437772  21045.437772  4228.532581  0.031646   709.207124                  E  20965.539725  20965.539725  4096.594872  0.032664   733.815147
25                 A  19780.251734  19780.251734  2559.731864  0.041533   589.339360                  A  19643.338682  19643.338682  2424.398243  0.043851   623.744649
26                 P  20236.414306           NaN          NaN       NaN          NaN                  P  20236.414306           NaN          NaN       NaN          NaN
27                 N  21998.198726  21998.198726  6170.965864  0.043254   584.542935                  N  21863.821887  21863.821887  5850.589490  0.045622   621.138744
28                 A  22301.528973  22301.528973  6960.137530  0.045058   581.216371                  A  22169.879574  22169.879574  6605.934296  0.047473   620.047237
29                 P  20145.970132           NaN          NaN       NaN          NaN                  P  20145.970132           NaN          NaN       NaN          NaN
30                 H  19090.099788  19090.099788  1946.611577  0.043265   584.675564                  H  18955.849402  18955.849402  1845.642461  0.045630   621.324966
31                 V  17700.208458  17700.208458  1121.494153  0.041549   589.506024                  V  17563.481769  17563.481769  1062.279035  0.043863   623.992981
32                 F  18339.572288  18339.572288  1445.310798  0.043270   584.742807                  F  18205.385908  18205.385908  1370.378532  0.045634   621.419333
33                 Q  20377.021753  20377.021753  3243.543089  0.060995   768.349287                  Q  20376.513134  20376.513134  3242.888638  0.061008   817.523946
34                 K  19858.075689  19858.075689  2639.999026  0.082164  1335.492144                  K  19858.009899  19858.009899  2639.930119  0.082166  1498.420051