ARECA's report on MET38

Residue probability: 0.848
Residue probability confidence: 0.986

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 171.180 176.360 2.004 0.000 0.000
CA 56.396 56.303 4.222 0.600 1.000
CB 37.426 33.217 4.564 1.000 1.000
CG 32.070 32.123 4.122 1.000 1.000
CE 16.766 17.286 5.508 0.833 1.000
N 118.861 120.023 5.158 0.909 0.917
HA 4.185 4.409 0.504 0.583 1.000
HB2 1.633 2.016 0.340 1.000 1.000
HB3 1.447 1.978 0.359 0.875 1.000
HG2 2.108 2.410 0.360 0.750 1.000
HG3 1.750 2.378 0.386 0.857 1.000
HE 2.005 1.877 0.381 0.800 1.000
H 8.376 8.269 0.585 0.969 0.917

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Detailed Probabilities of MET(38)-CA:

Overall probability: 0.600
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR37 0.00 1.00
MET38 0.50 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T37HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG2 1.00
M38HG3 1.00
M38H 1.00
M38HA 1.00
D39H 1.00
D39HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR37 HA 1.00 0.110 0.00 0.00
MET38 HA 1.00 0.158 0.00 0.00
MET38 HB2 1.00 0.005 1.00 0.67
MET38 HB3 1.00 0.003 1.00 0.44
MET38 HG2 1.00 0.141 0.00 0.00
MET38 HG3 1.00 0.122 0.00 0.00
MET38 H 1.00 0.022 1.00 1.42
ASP39 HA 1.00 0.002 1.00 0.06
ASP39 H 1.00 0.002 1.00 1.42
ASP39 HB2 0.54 0.000 1.00 0.20

Detailed Probabilities of MET(38)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 1.00 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M38HA 1.00
M38HB3 1.00
M38HG2 1.00
M38HG3 1.00
M38HE1 0.96
M38H 1.00
M38HB2 1.00
D39H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HA 1.00 0.011 1.00 0.57
MET38 HB2 1.00 0.005 1.00 4.95
MET38 HB3 1.00 0.005 1.00 2.72
MET38 HG2 1.00 0.005 1.00 0.50
MET38 HG3 1.00 0.010 1.00 1.00
MET38 HE1 0.96 0.004 1.00 0.50
MET38 H 1.00 0.008 1.00 0.36
ASP39 H 1.00 0.016 1.00 0.36

Detailed Probabilities of MET(38)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M38HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG2 1.00
M38HE1 1.00
M38H 1.00
M38HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HA 1.00 0.016 1.00 0.46
MET38 HB2 1.00 0.005 1.00 2.66
MET38 HB3 1.00 0.013 1.00 0.84
MET38 HG2 1.00 0.006 1.00 4.86
MET38 HG3 1.00 0.002 1.00 10.87
MET38 HE1 1.00 0.018 1.00 0.56
MET38 H 1.00 0.014 1.00 0.29

Detailed Probabilities of MET(38)-CE:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
M38HB2 0.96
M38HB3 0.97
M38HG2 1.00
M38HG3 1.00
M38HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HB2 0.96 0.006 1.00 2.63
MET38 HB3 0.97 0.006 1.00 1.61
MET38 HG2 1.00 0.100 0.00 0.00
MET38 HG3 1.00 0.011 1.00 2.06
MET38 HE1 1.00 0.003 1.00 300.68
MET38 HA 0.67 0.014 1.00 0.28

Detailed Probabilities of MET(38)-N:

Overall probability: 0.909
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR37 1.00 0.80
MET38 0.83 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T37HA 1.00
T37HB 1.00
T37HG22 0.97
T37HG1 0.98
T37H 1.00
M38HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG2 1.00
M38HG3 1.00
M38H 1.00
D39H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR37 HA 1.00 0.006 1.00 -1650557.00
THR37 HB 1.00 0.006 1.00 -1346340.00
THR37 HG21 0.97 0.005 1.00 -669420.00
THR37 H 1.00 0.007 1.00 -160402.00
MET38 HA 1.00 0.069 0.00 0.00
MET38 HB2 1.00 0.007 1.00 -656320.00
MET38 HB3 1.00 0.006 1.00 -583109.00
MET38 HG2 1.00 0.002 1.00 -148073.00
MET38 HG3 1.00 0.001 1.00 -150878.00
MET38 H 1.00 0.003 1.00 -11060844.00
ASP39 H 1.00 0.021 1.00 -11060844.00

Detailed Probabilities of MET(38)-HA:

Overall probability: 0.583
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR37 0.50 1.00
MET38 0.57 1.00
ASP39 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
T37HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG2 1.00
M38HG3 1.00
M38H 1.00
M38HA 1.00
D39H 1.00
D39HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR37 HA 1.00 0.144 0.00 0.00
THR37 HG21 0.54 0.028 1.00 0.14
MET38 HA 1.00 0.158 0.00 0.00
MET38 HB2 1.00 0.011 1.00 0.57
MET38 HB3 1.00 0.188 0.00 0.00
MET38 HG2 1.00 0.007 1.00 0.79
MET38 HG3 1.00 0.016 1.00 0.46
MET38 H 1.00 0.069 0.00 0.00
MET38 HE1 0.69 0.014 1.00 0.28
ASP39 HA 1.00 0.128 0.00 0.00
ASP39 H 1.00 0.010 1.00 -2853606.00
ASP39 HB2 0.54 0.009 1.00 0.19

Detailed Probabilities of MET(38)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 1.00 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M38HA 1.00
M38HB3 1.00
M38HG2 1.00
M38HG3 1.00
M38HE1 0.96
M38H 1.00
M38HB2 1.00
D39H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HA 1.00 0.005 1.00 0.67
MET38 HB2 1.00 0.005 1.00 4.95
MET38 HB3 1.00 0.006 1.00 3.03
MET38 HG2 1.00 0.000 1.00 1.19
MET38 HG3 1.00 0.005 1.00 2.66
MET38 HE1 0.96 0.006 1.00 2.63
MET38 H 1.00 0.007 1.00 -656320.00
ASP39 H 1.00 0.004 1.00 -304383.00

Detailed Probabilities of MET(38)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 0.86 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M38HA 1.00
M38HB2 1.00
M38HG2 1.00
M38HG3 1.00
M38HE1 0.97
M38H 1.00
M38HB3 1.00
D39H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HA 1.00 0.003 1.00 0.44
MET38 HB2 1.00 0.005 1.00 2.72
MET38 HB3 1.00 0.178 0.00 0.00
MET38 HG2 1.00 0.004 1.00 0.58
MET38 HG3 1.00 0.013 1.00 0.84
MET38 HE1 0.97 0.006 1.00 1.61
MET38 H 1.00 0.006 1.00 -583109.00
ASP39 H 1.00 0.007 1.00 -306167.00

Detailed Probabilities of MET(38)-HG2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 0.71 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M38HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG3 1.00
M38HE1 1.00
M38H 1.00
M38HG2 1.00
D39H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HA 1.00 0.141 0.00 0.00
MET38 HB2 1.00 0.005 1.00 0.50
MET38 HB3 1.00 0.007 1.00 0.30
MET38 HG2 1.00 0.006 1.00 15.65
MET38 HG3 1.00 0.006 1.00 4.86
MET38 HE1 1.00 0.100 0.00 0.00
MET38 H 1.00 0.002 1.00 -148073.00
ASP39 H 0.97 0.004 1.00 -387778.00

Detailed Probabilities of MET(38)-HG3:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
M38HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG2 1.00
M38HE1 1.00
M38H 1.00
M38HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HA 1.00 0.122 0.00 0.00
MET38 HB2 1.00 0.010 1.00 1.00
MET38 HB3 1.00 0.008 1.00 0.76
MET38 HG2 1.00 0.003 1.00 5.60
MET38 HG3 1.00 0.002 1.00 10.87
MET38 HE1 1.00 0.011 1.00 2.06
MET38 H 1.00 0.001 1.00 -150878.00

Detailed Probabilities of MET(38)-HE1:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET38 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
M38HB2 0.96
M38HB3 0.97
M38HG2 1.00
M38HG3 1.00
M38HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET38 HB2 0.96 0.004 1.00 0.50
MET38 HB3 0.97 0.010 1.00 0.42
MET38 HG2 1.00 0.097 0.00 0.00
MET38 HG3 1.00 0.018 1.00 0.56
MET38 HE1 1.00 0.003 1.00 300.68

Detailed Probabilities of MET(38)-H:

Overall probability: 0.969
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR37 0.90 0.80
MET38 1.00 1.00
ASP39 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T37HA 1.00
T37HB 1.00
T37HG22 0.97
T37HG1 0.98
T37H 1.00
M38HA 1.00
M38HB2 1.00
M38HB3 1.00
M38HG2 1.00
M38HG3 1.00
M38H 1.00
D39H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR37 HA 1.00 0.034 0.60 0.00
THR37 HB 1.00 0.003 1.00 0.95
THR37 HG21 0.97 0.004 1.00 0.45
THR37 H 1.00 0.004 1.00 -136577.00
MET38 HA 1.00 0.022 1.00 1.42
MET38 HB2 1.00 0.008 1.00 0.36
MET38 HB3 1.00 0.009 1.00 0.36
MET38 HG2 1.00 0.016 1.00 0.35
MET38 HG3 1.00 0.014 1.00 0.29
MET38 H 1.00 0.003 1.00 -11060844.00
ASP39 H 1.00 0.021 1.00 -6392216.00
ASP39 HA 0.85 0.005 1.00 0.22
ASP39 HB2 0.56 0.022 1.00 0.82