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a_nl.txt
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a_nl.txt
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columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.83697443]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 10}
[[0.51283538 0.48716462]
[0.45630859 0.54369141]
[0.77079189 0.22920811]
...
[0.72164845 0.27835155]
[0.83707335 0.16292665]
[0.8484622 0.1515378 ]]
########################
hmmScoreWT 0.04628271924389292
hmmScoreMUT 0.17151583036209922
Phosphomimic 0.021093171588678385
IUPRED 0.03586289733338069
ncontacts 0.10368861151193062
nresidues 0.06307671931910504
sec 0.019785151058630997
burr 0.025900006869355185
acc 0.0495728428579391
ChargesMUT 0.0979807622346405
p_-1_pfam 0.03095901484326713
p_0 0.012811033620301612
ub_0_pfam 0.030814977409756517
ub_1_pfam 0.011181868371284369
S_WT 0.01014655791214804
D_MUT 0.023828639192207478
E_MUT 0.07188498480501995
allHomologs 0.0230383701888715
exclParalogs 0.014979065795702328
bpso 0.026139332028610518
bpsh 0.10039423501554041
Feature Importance
1 hmmScoreMUT 0.171516
4 ncontacts 0.103689
20 bpsh 0.100394
9 ChargesMUT 0.097981
16 E_MUT 0.071885
5 nresidues 0.063077
8 acc 0.049573
0 hmmScoreWT 0.046283
3 IUPRED 0.035863
10 p_-1_pfam 0.030959
12 ub_0_pfam 0.030815
19 bpso 0.026139
7 burr 0.025900
15 D_MUT 0.023829
17 allHomologs 0.023038
2 Phosphomimic 0.021093
6 sec 0.019785
18 exclParalogs 0.014979
11 p_0 0.012811
13 ub_1_pfam 0.011182
14 S_WT 0.010147
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 0.0
########################
resistance results ( 71 )
REC: 0.732
########################
MAP2K3/A84T/test 0.52 A
PIM1/S97N/test 0.561 A
########################
CDK5/F82I/test 0.458 TBD
MAP2K1/V211D/test 0.248 TBD
########################
CHEK2/K373E/test 0.491 Inconclusive
MAP2K3/R94L/test 0.544 Inconclusive
MAP2K3/R96W/test 0.439 Inconclusive
MAP2K3/L215W/test 0.504 Inconclusive
MAP2K3/T222M/test 0.553 Inconclusive
PIM1/Q127E/test 0.554 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.87015533]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 50}
[[0.58934632 0.41065368]
[0.41260516 0.58739484]
[0.71216716 0.28783284]
...
[0.74930671 0.25069329]
[0.82046695 0.17953305]
[0.78806173 0.21193827]]
########################
hmmScoreWT 0.14056603529812992
hmmScoreMUT 0.09613857251783801
Phosphomimic 0.024694624234103544
Acetylmimic 0.05367256261514297
IUPRED 0.02585792520732723
ncontacts 0.07606153196774551
nresidues 0.0343690440589983
sec 0.011160913496128591
burr 0.0358623041609503
acc 0.022148935509200073
ChargesWT 0.011385399830555696
ChargesMUT 0.041831856361419575
K_WT 0.01694043407796894
A_MUT 0.028562861949482436
E_MUT 0.03488269081572042
allHomologs 0.019073552357404273
exclParalogs 0.03366972161588322
specParalogs 0.03023194418939129
orthologs 0.03108333434624638
bpso 0.02808939903106065
bpsh 0.08750828361036975
Feature Importance
0 hmmScoreWT 0.140566
1 hmmScoreMUT 0.096139
20 bpsh 0.087508
5 ncontacts 0.076062
3 Acetylmimic 0.053673
11 ChargesMUT 0.041832
8 burr 0.035862
14 E_MUT 0.034883
6 nresidues 0.034369
16 exclParalogs 0.033670
18 orthologs 0.031083
17 specParalogs 0.030232
13 A_MUT 0.028563
19 bpso 0.028089
4 IUPRED 0.025858
2 Phosphomimic 0.024695
9 acc 0.022149
15 allHomologs 0.019074
12 K_WT 0.016940
10 ChargesWT 0.011385
7 sec 0.011161
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.746
########################
MAP2K3/A84T/test 0.53 A
PIM1/S97N/test 0.618 A
########################
CDK5/F82I/test 0.46 TBD
MAP2K1/V211D/test 0.398 TBD
########################
CHEK2/K373E/test 0.567 Inconclusive
MAP2K3/R94L/test 0.522 Inconclusive
MAP2K3/R96W/test 0.418 Inconclusive
MAP2K3/L215W/test 0.41 Inconclusive
MAP2K3/T222M/test 0.573 Inconclusive
PIM1/Q127E/test 0.556 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.87630964]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
[[0.59644475 0.40355525]
[0.43331819 0.56668181]
[0.71330366 0.28669634]
...
[0.74869812 0.25130188]
[0.80564069 0.19435931]
[0.76168542 0.23831458]]
########################
hmmScoreWT 0.10921601861872883
hmmScoreMUT 0.09043297395896312
Phosphomimic 0.029351397229494425
Acetylmimic 0.03838813354054873
IUPRED 0.034782544522433734
ncontacts 0.06290938982905912
nresidues 0.03321483475549773
sec 0.017666309773546874
burr 0.04821628899859217
acc 0.014340260987073961
ChargesWT 0.011348826774238704
ChargesMUT 0.04378943560957163
K_WT 0.015024850143214204
A_MUT 0.03070152275331535
E_MUT 0.024635437968583973
allHomologs 0.03585947656490626
exclParalogs 0.06086083846419133
specParalogs 0.020233796892886752
orthologs 0.04816950326705218
bpso 0.03172347666271416
bpsh 0.07294355948067453
Feature Importance
0 hmmScoreWT 0.109216
1 hmmScoreMUT 0.090433
20 bpsh 0.072944
5 ncontacts 0.062909
16 exclParalogs 0.060861
8 burr 0.048216
18 orthologs 0.048170
11 ChargesMUT 0.043789
3 Acetylmimic 0.038388
15 allHomologs 0.035859
4 IUPRED 0.034783
6 nresidues 0.033215
19 bpso 0.031723
13 A_MUT 0.030702
2 Phosphomimic 0.029351
14 E_MUT 0.024635
17 specParalogs 0.020234
7 sec 0.017666
12 K_WT 0.015025
9 acc 0.014340
10 ChargesWT 0.011349
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.775
########################
MAP2K3/A84T/test 0.508 A
PIM1/S97N/test 0.603 A
########################
CDK5/F82I/test 0.488 TBD
MAP2K1/V211D/test 0.433 TBD
########################
CHEK2/K373E/test 0.559 Inconclusive
MAP2K3/R94L/test 0.533 Inconclusive
MAP2K3/R96W/test 0.443 Inconclusive
MAP2K3/L215W/test 0.441 Inconclusive
MAP2K3/T222M/test 0.566 Inconclusive
PIM1/Q127E/test 0.566 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.84425516]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 4, 'min_samples_split': 3, 'n_estimators': 10}
[[0.51056076 0.48943924]
[0.49037875 0.50962125]
[0.74778759 0.25221241]
...
[0.72112471 0.27887529]
[0.8361309 0.1638691 ]
[0.8258766 0.1741234 ]]
########################
hmmScoreWT 0.07387756346403886
hmmScoreMUT 0.17170008677794357
Phosphomimic 0.021116420136971424
IUPRED 0.035619870423783215
ncontacts 0.09669954522047937
nresidues 0.06349957859470665
sec 0.01981497162259775
burr 0.026670699080174144
acc 0.041243373852797624
ChargesMUT 0.09807315801838348
p_-1_pfam 0.03101093583280335
p_0 0.012811033620301612
ub_0_pfam 0.030814977409756517
ub_1_pfam 0.011200318994388152
S_WT 0.010162819052258121
D_MUT 0.023828639192207478
E_MUT 0.0726189055035609
exclParalogs 0.019919650219195024
bpso 0.026139332028610518
bpsh 0.1008547563370598
Feature Importance
1 hmmScoreMUT 0.171700
19 bpsh 0.100855
9 ChargesMUT 0.098073
4 ncontacts 0.096700
0 hmmScoreWT 0.073878
16 E_MUT 0.072619
5 nresidues 0.063500
8 acc 0.041243
3 IUPRED 0.035620
10 p_-1_pfam 0.031011
12 ub_0_pfam 0.030815
7 burr 0.026671
18 bpso 0.026139
15 D_MUT 0.023829
2 Phosphomimic 0.021116
17 exclParalogs 0.019920
6 sec 0.019815
11 p_0 0.012811
13 ub_1_pfam 0.011200
14 S_WT 0.010163
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 0.0
########################
resistance results ( 71 )
REC: 0.704
########################
MAP2K3/A84T/test 0.522 A
PIM1/S97N/test 0.563 A
########################
CDK5/F82I/test 0.424 TBD
MAP2K1/V211D/test 0.27 TBD
########################
CHEK2/K373E/test 0.478 Inconclusive
MAP2K3/R94L/test 0.532 Inconclusive
MAP2K3/R96W/test 0.441 Inconclusive
MAP2K3/L215W/test 0.467 Inconclusive
MAP2K3/T222M/test 0.487 Inconclusive
PIM1/Q127E/test 0.541 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.87311684]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 4, 'min_samples_split': 3, 'n_estimators': 50}
[[0.58488087 0.41511913]
[0.41900225 0.58099775]
[0.7025252 0.2974748 ]
...
[0.74807543 0.25192457]
[0.8038662 0.1961338 ]
[0.78141604 0.21858396]]
########################
hmmScoreWT 0.14113443541751527
hmmScoreMUT 0.0960489093892442
Phosphomimic 0.028045093581249368
Acetylmimic 0.054909215395702864
IUPRED 0.02696431133777019
ncontacts 0.07751232100821594
nresidues 0.026679315772455966
sec 0.011210001948817067
burr 0.03875407159389411
acc 0.02074461626020578
ChargesWT 0.01219636778308721
ChargesMUT 0.04208647688631629
K_WT 0.017000673589552796
A_MUT 0.02921941190631013
E_MUT 0.037261998305095245
allHomologs 0.015008915215195236
exclParalogs 0.0335130224194695
specParalogs 0.02812245056542197
orthologs 0.0331072007503454
bpso 0.03588473994624389
bpsh 0.09247509865222704
Feature Importance
0 hmmScoreWT 0.141134
1 hmmScoreMUT 0.096049
20 bpsh 0.092475
5 ncontacts 0.077512
3 Acetylmimic 0.054909
11 ChargesMUT 0.042086
8 burr 0.038754
14 E_MUT 0.037262
19 bpso 0.035885
16 exclParalogs 0.033513
18 orthologs 0.033107
13 A_MUT 0.029219
17 specParalogs 0.028122
2 Phosphomimic 0.028045
4 IUPRED 0.026964
6 nresidues 0.026679
9 acc 0.020745
12 K_WT 0.017001
15 allHomologs 0.015009
10 ChargesWT 0.012196
7 sec 0.011210
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.761
########################
MAP2K3/A84T/test 0.544 A
PIM1/S97N/test 0.631 A
########################
CDK5/F82I/test 0.444 TBD
MAP2K1/V211D/test 0.404 TBD
########################
CHEK2/K373E/test 0.559 Inconclusive
MAP2K3/R94L/test 0.511 Inconclusive
MAP2K3/R96W/test 0.41 Inconclusive
MAP2K3/L215W/test 0.401 Inconclusive
MAP2K3/T222M/test 0.556 Inconclusive
PIM1/Q127E/test 0.554 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.8765735]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 4, 'min_samples_split': 3, 'n_estimators': 100}
[[0.60063514 0.39936486]
[0.433556 0.566444 ]
[0.70291289 0.29708711]
...
[0.74475497 0.25524503]
[0.78665108 0.21334892]
[0.75252224 0.24747776]]
########################
hmmScoreWT 0.1089673690190771
hmmScoreMUT 0.08438481345752935
Phosphomimic 0.033462138050528965
Acetylmimic 0.03907973528103339
IUPRED 0.0361567765456532
ncontacts 0.058446989665523495
nresidues 0.029523481752100747
sec 0.017378258533944126
burr 0.0505479244635973
acc 0.015174006020476404
ChargesWT 0.013258422887107388
ChargesMUT 0.04482795703849364
K_WT 0.015224416169804193
A_MUT 0.031573144372703275
D_MUT 0.011118794748265482
E_MUT 0.025813903537618706
allHomologs 0.0296241306582962
exclParalogs 0.06197813073707341
specParalogs 0.018995760879837262
orthologs 0.05240476115688535
bpso 0.03617556059365461
bpsh 0.07564186987438462
Feature Importance
0 hmmScoreWT 0.108967
1 hmmScoreMUT 0.084385
21 bpsh 0.075642
17 exclParalogs 0.061978
5 ncontacts 0.058447
19 orthologs 0.052405
8 burr 0.050548
11 ChargesMUT 0.044828
3 Acetylmimic 0.039080
20 bpso 0.036176
4 IUPRED 0.036157
2 Phosphomimic 0.033462
13 A_MUT 0.031573
16 allHomologs 0.029624
6 nresidues 0.029523
15 E_MUT 0.025814
18 specParalogs 0.018996
7 sec 0.017378
12 K_WT 0.015224
9 acc 0.015174
10 ChargesWT 0.013258
14 D_MUT 0.011119
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.817
########################
MAP2K3/A84T/test 0.513 A
PIM1/S97N/test 0.607 A
########################
CDK5/F82I/test 0.483 TBD
MAP2K1/V211D/test 0.451 TBD
########################
CHEK2/K373E/test 0.561 Inconclusive
MAP2K3/R94L/test 0.526 Inconclusive
MAP2K3/R96W/test 0.434 Inconclusive
MAP2K3/L215W/test 0.438 Inconclusive
MAP2K3/T222M/test 0.556 Inconclusive
PIM1/Q127E/test 0.564 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.84614249]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 5, 'min_samples_split': 3, 'n_estimators': 10}
[[0.51056076 0.48943924]
[0.49037875 0.50962125]
[0.74778759 0.25221241]
...
[0.72189904 0.27810096]
[0.8361309 0.1638691 ]
[0.82665094 0.17334906]]
########################
hmmScoreWT 0.0735552376839724
hmmScoreMUT 0.1717257495652612
Phosphomimic 0.02112196654919063
IUPRED 0.036223281997328965
ncontacts 0.09669954522047937
nresidues 0.06387646184046455
sec 0.01990709861315689
burr 0.026670699080174144
acc 0.039735524590929085
ChargesMUT 0.0984824760469298
p_-1_pfam 0.0310110619013029
p_0 0.013028056474781516
ub_0_pfam 0.030814977409756517
ub_1_pfam 0.01120472076434578
S_WT 0.010251727692640999
D_MUT 0.024232303677770104
E_MUT 0.07262356822046138
exclParalogs 0.019919650219195024
bpso 0.02613941078921226
bpsh 0.1008547563370598
Feature Importance
1 hmmScoreMUT 0.171726
19 bpsh 0.100855
9 ChargesMUT 0.098482
4 ncontacts 0.096700
0 hmmScoreWT 0.073555
16 E_MUT 0.072624
5 nresidues 0.063876
8 acc 0.039736
3 IUPRED 0.036223
10 p_-1_pfam 0.031011
12 ub_0_pfam 0.030815
7 burr 0.026671
18 bpso 0.026139
15 D_MUT 0.024232
2 Phosphomimic 0.021122
17 exclParalogs 0.019920
6 sec 0.019907
11 p_0 0.013028
13 ub_1_pfam 0.011205
14 S_WT 0.010252
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 0.0
########################
resistance results ( 71 )
REC: 0.704
########################
MAP2K3/A84T/test 0.522 A
PIM1/S97N/test 0.561 A
########################
CDK5/F82I/test 0.424 TBD
MAP2K1/V211D/test 0.281 TBD
########################
CHEK2/K373E/test 0.478 Inconclusive
MAP2K3/R94L/test 0.532 Inconclusive
MAP2K3/R96W/test 0.441 Inconclusive
MAP2K3/L215W/test 0.467 Inconclusive
MAP2K3/T222M/test 0.487 Inconclusive
PIM1/Q127E/test 0.541 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.86592012]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 5, 'min_samples_split': 3, 'n_estimators': 50}
[[0.57532401 0.42467599]
[0.42170535 0.57829465]
[0.71863838 0.28136162]
...
[0.74158598 0.25841402]
[0.80995355 0.19004645]
[0.79341966 0.20658034]]
########################
hmmScoreWT 0.13818537410301965
hmmScoreMUT 0.09627883048722628
Phosphomimic 0.02825026953410994
Acetylmimic 0.05267039102572022
IUPRED 0.02639876478811036
ncontacts 0.08136019701515913
nresidues 0.033536715251313305
sec 0.011722617129691318
burr 0.05811265650016147
acc 0.017962993732926667
ChargesWT 0.012484473322214194
ChargesMUT 0.04230564668149617
K_WT 0.020867542811349025
A_MUT 0.025308094002041457
E_MUT 0.03727774675157027
allHomologs 0.01515786554421424
exclParalogs 0.03363005084885772
specParalogs 0.025994556491481847
orthologs 0.03471418829365784
bpso 0.03620296787560459
bpsh 0.08016688973435146
Feature Importance
0 hmmScoreWT 0.138185
1 hmmScoreMUT 0.096279
5 ncontacts 0.081360
20 bpsh 0.080167
8 burr 0.058113
3 Acetylmimic 0.052670
11 ChargesMUT 0.042306
14 E_MUT 0.037278
19 bpso 0.036203
18 orthologs 0.034714
16 exclParalogs 0.033630
6 nresidues 0.033537
2 Phosphomimic 0.028250
4 IUPRED 0.026399
17 specParalogs 0.025995
13 A_MUT 0.025308
12 K_WT 0.020868
9 acc 0.017963
15 allHomologs 0.015158
10 ChargesWT 0.012484
7 sec 0.011723
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.775
########################
MAP2K3/A84T/test 0.543 A
PIM1/S97N/test 0.635 A
########################
CDK5/F82I/test 0.445 TBD
MAP2K1/V211D/test 0.393 TBD
########################
CHEK2/K373E/test 0.537 Inconclusive
MAP2K3/R94L/test 0.507 Inconclusive
MAP2K3/R96W/test 0.422 Inconclusive
MAP2K3/L215W/test 0.385 Inconclusive
MAP2K3/T222M/test 0.57 Inconclusive
PIM1/Q127E/test 0.532 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.87591043]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 5, 'min_samples_split': 3, 'n_estimators': 100}
[[0.58750186 0.41249814]
[0.44127467 0.55872533]
[0.71303107 0.28696893]
...
[0.73544827 0.26455173]
[0.79085447 0.20914553]
[0.74777048 0.25222952]]
########################
hmmScoreWT 0.11263481153990912
hmmScoreMUT 0.08331750926863135
Phosphomimic 0.03364865888933029
Acetylmimic 0.03761679315554705
IUPRED 0.03616610695417324
ncontacts 0.060656677653065004
nresidues 0.024984789638096108
sec 0.019192119247551945
burr 0.060811163738082076
acc 0.013799260703119156
ChargesWT 0.013449220033959274
ChargesMUT 0.044954914549650477
K_WT 0.017539597630651563
A_MUT 0.029646371398617075
D_MUT 0.011166833710966493
E_MUT 0.025821698223247758
allHomologs 0.030103402155145575
exclParalogs 0.06462560435214273
specParalogs 0.022822751523197442
orthologs 0.0540708372612736
bpso 0.03454201070902099
bpsh 0.07104700860027381
Feature Importance
0 hmmScoreWT 0.112635
1 hmmScoreMUT 0.083318
21 bpsh 0.071047
17 exclParalogs 0.064626
8 burr 0.060811
5 ncontacts 0.060657
19 orthologs 0.054071
11 ChargesMUT 0.044955
3 Acetylmimic 0.037617
4 IUPRED 0.036166
20 bpso 0.034542
2 Phosphomimic 0.033649
16 allHomologs 0.030103
13 A_MUT 0.029646
15 E_MUT 0.025822
6 nresidues 0.024985
18 specParalogs 0.022823
7 sec 0.019192
12 K_WT 0.017540
9 acc 0.013799
10 ChargesWT 0.013449
14 D_MUT 0.011167
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.831
########################
MAP2K3/A84T/test 0.514 A
PIM1/S97N/test 0.605 A
########################
CDK5/F82I/test 0.487 TBD
MAP2K1/V211D/test 0.452 TBD
########################
CHEK2/K373E/test 0.559 Inconclusive
MAP2K3/R94L/test 0.524 Inconclusive
MAP2K3/R96W/test 0.441 Inconclusive
MAP2K3/L215W/test 0.43 Inconclusive
MAP2K3/T222M/test 0.555 Inconclusive
PIM1/Q127E/test 0.559 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.84086023]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 4, 'n_estimators': 10}
[[0.51283538 0.48716462]
[0.45630859 0.54369141]
[0.77079189 0.22920811]
...
[0.72164845 0.27835155]
[0.83707335 0.16292665]
[0.8484622 0.1515378 ]]
########################
hmmScoreWT 0.04628271924389292
hmmScoreMUT 0.17151583036209922
Phosphomimic 0.021093171588678385
IUPRED 0.03586289733338069
ncontacts 0.10368861151193062
nresidues 0.06307671931910504
sec 0.019785151058630997
burr 0.025900006869355185
acc 0.0495728428579391
ChargesMUT 0.0979807622346405
p_-1_pfam 0.03095901484326713
p_0 0.012811033620301612
ub_0_pfam 0.030814977409756517
ub_1_pfam 0.011181868371284369
S_WT 0.01014655791214804
D_MUT 0.023828639192207478
E_MUT 0.07188498480501995
allHomologs 0.0230383701888715
exclParalogs 0.014979065795702328
bpso 0.026139332028610518
bpsh 0.10039423501554041
Feature Importance
1 hmmScoreMUT 0.171516
4 ncontacts 0.103689
20 bpsh 0.100394
9 ChargesMUT 0.097981
16 E_MUT 0.071885
5 nresidues 0.063077
8 acc 0.049573
0 hmmScoreWT 0.046283
3 IUPRED 0.035863
10 p_-1_pfam 0.030959
12 ub_0_pfam 0.030815
19 bpso 0.026139
7 burr 0.025900
15 D_MUT 0.023829
17 allHomologs 0.023038
2 Phosphomimic 0.021093
6 sec 0.019785
18 exclParalogs 0.014979
11 p_0 0.012811
13 ub_1_pfam 0.011182
14 S_WT 0.010147
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 0.0
########################
resistance results ( 71 )
REC: 0.732
########################
MAP2K3/A84T/test 0.52 A
PIM1/S97N/test 0.561 A
########################
CDK5/F82I/test 0.458 TBD
MAP2K1/V211D/test 0.248 TBD
########################
CHEK2/K373E/test 0.491 Inconclusive
MAP2K3/R94L/test 0.544 Inconclusive
MAP2K3/R96W/test 0.439 Inconclusive
MAP2K3/L215W/test 0.504 Inconclusive
MAP2K3/T222M/test 0.553 Inconclusive
PIM1/Q127E/test 0.554 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.87083226]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 4, 'n_estimators': 50}
[[0.58934632 0.41065368]
[0.41260516 0.58739484]
[0.71216716 0.28783284]
...
[0.74930671 0.25069329]
[0.82046695 0.17953305]
[0.78806173 0.21193827]]
########################
hmmScoreWT 0.14056603529812992
hmmScoreMUT 0.09613857251783801
Phosphomimic 0.024694624234103544
Acetylmimic 0.05367256261514297
IUPRED 0.02585792520732723
ncontacts 0.07606153196774551
nresidues 0.0343690440589983
sec 0.011160913496128591
burr 0.0358623041609503
acc 0.022148935509200073
ChargesWT 0.011385399830555696
ChargesMUT 0.041831856361419575
K_WT 0.01694043407796894
A_MUT 0.028562861949482436
E_MUT 0.03488269081572042
allHomologs 0.019073552357404273
exclParalogs 0.03366972161588322
specParalogs 0.03023194418939129
orthologs 0.03108333434624638
bpso 0.02808939903106065