ARECA's report on MET42

Residue probability: 0.752
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.185 176.360 2.004 0.000 0.000
CA 57.054 56.303 4.222 0.449 1.000
CB 31.254 33.217 4.564 0.880 1.000
CG 32.468 32.123 4.122 0.881 1.000
CE 17.857 17.286 5.508 0.839 1.000
N 118.114 120.023 5.158 0.848 1.000
HA 4.383 4.409 0.504 0.700 1.000
HB2 2.191 2.016 0.340 0.778 1.000
HB3 1.950 1.978 0.359 0.629 1.000
HG2 2.656 2.410 0.360 1.000 1.000
HG3 2.761 2.378 0.386 1.000 1.000
HE 1.866 1.877 0.381 0.628 1.000
H 8.779 8.269 0.585 0.388 1.000

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Detailed Probabilities of MET(42)-CA:

Overall probability: 0.449
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.00 1.00
MET42 0.38 1.00
LYS43 0.90 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG2 1.00
M42HG3 1.00
M42H 1.00
M42HA 1.00
K43H 1.00
K43HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.083 0.00 0.00
MET42 HA 1.00 0.203 0.00 0.00
MET42 HB2 1.00 0.291 0.00 0.00
MET42 HB3 1.00 0.050 0.00 0.00
MET42 HG2 1.00 0.012 1.00 0.25
MET42 HG3 1.00 0.002 1.00 0.16
MET42 H 1.00 0.148 0.00 0.00
MET42 HE1 0.69 0.034 0.69 0.00
LYS43 HA 1.00 0.032 0.80 0.00
LYS43 H 1.00 0.002 1.00 0.17

Detailed Probabilities of MET(42)-CB:

Overall probability: 0.880
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 0.86 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M42HA 1.00
M42HB3 1.00
M42HG2 1.00
M42HG3 1.00
M42HE1 0.96
M42H 1.00
M42HB2 1.00
K43H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HA 1.00 0.014 1.00 0.24
MET42 HB2 1.00 0.006 1.00 1.64
MET42 HB3 1.00 0.000 1.00 1.07
MET42 HG2 1.00 0.005 1.00 0.26
MET42 HG3 1.00 0.002 1.00 0.32
MET42 HE1 0.96 0.084 0.04 0.00
MET42 H 1.00 0.003 1.00 0.25
LYS43 H 1.00 0.003 1.00 0.18

Detailed Probabilities of MET(42)-CG:

Overall probability: 0.881
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 1.00 1.00
LYS43 0.05 1.00

Expected NOESY Contacts
Proton Expected probability
M42HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG2 1.00
M42HE1 1.00
M42H 1.00
M42HG3 1.00
K43H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HA 1.00 0.010 1.00 0.16
MET42 HB2 1.00 0.008 1.00 0.32
MET42 HB3 1.00 0.003 1.00 0.32
MET42 HG2 1.00 0.012 1.00 1.24
MET42 HG3 1.00 0.005 1.00 1.63
MET42 HE1 1.00 0.021 1.00 0.28
MET42 H 1.00 0.004 1.00 0.21
LYS43 H 0.95 1.284 0.05 0.00

Detailed Probabilities of MET(42)-CE:

Overall probability: 0.839
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 0.84 1.00

Expected NOESY Contacts
Proton Expected probability
M42HB2 0.96
M42HB3 0.97
M42HG2 1.00
M42HG3 1.00
M42HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HB2 0.96 0.006 1.00 0.51
MET42 HB3 0.97 0.054 0.03 0.00
MET42 HG2 1.00 0.011 1.00 0.72
MET42 HG3 1.00 0.004 1.00 0.64
MET42 HE1 1.00 0.006 1.00 77.74
MET42 HA 0.67 0.012 1.00 0.83

Detailed Probabilities of MET(42)-N:

Overall probability: 0.848
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.67 1.00
MET42 1.00 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HB2 1.00
E41HA 1.00
E41HG3 0.97
E41HB3 1.00
E41H 1.00
E41HG2 0.98
M42HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG2 1.00
M42HG3 1.00
M42H 1.00
K43H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.006 1.00 -173560.00
GLU41 HB2 1.00 0.005 1.00 -985493.00
GLU41 HB3 1.00 0.004 1.00 -985493.00
GLU41 HG2 0.98 0.052 0.02 0.00
GLU41 HG3 0.97 0.001 1.00 -85959.00
GLU41 H 1.00 0.055 0.00 0.00
MET42 HA 1.00 0.008 1.00 -508699.00
MET42 HB2 1.00 0.006 1.00 -668680.00
MET42 HB3 1.00 0.005 1.00 -985493.00
MET42 HG2 1.00 0.012 1.00 -683399.00
MET42 HG3 1.00 0.015 1.00 -514047.00
MET42 H 1.00 0.003 1.00 -5463178.00
LYS43 H 1.00 0.000 1.00 -851096.00

Detailed Probabilities of MET(42)-HA:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.00 1.00
MET42 0.71 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG2 1.00
M42HG3 1.00
M42H 1.00
M42HA 1.00
K43H 1.00
K43HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.101 0.00 0.00
MET42 HA 1.00 0.203 0.00 0.00
MET42 HB2 1.00 0.014 1.00 0.24
MET42 HB3 1.00 1.624 0.00 0.00
MET42 HG2 1.00 0.027 1.00 0.07
MET42 HG3 1.00 0.010 1.00 0.16
MET42 H 1.00 0.008 1.00 -508699.00
MET42 HE1 0.69 0.012 1.00 0.83
LYS43 HA 1.00 0.001 1.00 0.14
LYS43 H 1.00 0.009 1.00 -243082.00

Detailed Probabilities of MET(42)-HB2:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 0.71 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M42HA 1.00
M42HB3 1.00
M42HG2 1.00
M42HG3 1.00
M42HE1 0.96
M42H 1.00
M42HB2 1.00
K43H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HA 1.00 0.291 0.00 0.00
MET42 HB2 1.00 0.006 1.00 1.64
MET42 HB3 1.00 0.324 0.00 0.00
MET42 HG2 1.00 0.002 1.00 0.26
MET42 HG3 1.00 0.008 1.00 0.32
MET42 HE1 0.96 0.006 1.00 0.51
MET42 H 1.00 0.006 1.00 -668680.00
LYS43 H 1.00 0.006 1.00 -362573.00
LYS43 HA 0.68 0.026 1.00 2.61

Detailed Probabilities of MET(42)-HB3:

Overall probability: 0.629
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 0.58 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M42HA 1.00
M42HB2 1.00
M42HG2 1.00
M42HG3 1.00
M42HE1 0.97
M42H 1.00
M42HB3 1.00
K43H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HA 1.00 0.050 0.00 0.00
MET42 HB2 1.00 0.000 1.00 1.07
MET42 HB3 1.00 0.565 0.00 0.00
MET42 HG2 1.00 0.021 1.00 0.26
MET42 HG3 1.00 0.003 1.00 0.32
MET42 HE1 0.97 0.054 0.03 0.00
MET42 H 1.00 0.005 1.00 -985493.00
LYS43 H 1.00 0.025 1.00 -2484232.00

Detailed Probabilities of MET(42)-HG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 1.00 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M42HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG3 1.00
M42HE1 1.00
M42H 1.00
M42HG2 1.00
K43H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HA 1.00 0.012 1.00 0.25
MET42 HB2 1.00 0.005 1.00 0.26
MET42 HB3 1.00 0.025 1.00 0.86
MET42 HG2 1.00 0.009 1.00 1.42
MET42 HG3 1.00 0.012 1.00 1.24
MET42 HE1 1.00 0.011 1.00 0.72
MET42 H 1.00 0.012 1.00 -683399.00
LYS43 H 0.98 0.002 1.00 -110437.00

Detailed Probabilities of MET(42)-HG3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 1.00 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M42HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG2 1.00
M42HE1 1.00
M42H 1.00
M42HG3 1.00
K43H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HA 1.00 0.002 1.00 0.16
MET42 HB2 1.00 0.002 1.00 0.32
MET42 HB3 1.00 0.002 1.00 0.34
MET42 HG2 1.00 0.008 1.00 1.05
MET42 HG3 1.00 0.005 1.00 1.63
MET42 HE1 1.00 0.004 1.00 0.64
MET42 H 1.00 0.015 1.00 -514047.00
LYS43 H 0.95 0.003 1.00 -88180.00

Detailed Probabilities of MET(42)-HE1:

Overall probability: 0.628
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET42 0.63 1.00

Expected NOESY Contacts
Proton Expected probability
M42HB2 0.96
M42HB3 0.97
M42HG2 1.00
M42HG3 1.00
M42HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET42 HB2 0.96 0.084 0.04 0.00
MET42 HB3 0.97 0.649 0.03 0.00
MET42 HG2 1.00 0.018 1.00 0.26
MET42 HG3 1.00 0.021 1.00 0.28
MET42 HE1 1.00 0.006 1.00 77.74
MET42 HA 0.69 0.034 0.69 0.00

Detailed Probabilities of MET(42)-H:

Overall probability: 0.388
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.01 1.00
MET42 0.67 1.00
LYS43 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HB2 1.00
E41HA 1.00
E41HG3 0.97
E41HB3 1.00
E41H 1.00
E41HG2 0.98
M42HA 1.00
M42HB2 1.00
M42HB3 1.00
M42HG2 1.00
M42HG3 1.00
M42H 1.00
K43H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.047 0.00 0.00
GLU41 HB2 1.00 0.041 0.00 0.00
GLU41 HB3 1.00 0.041 0.00 0.00
GLU41 HG2 0.98 0.056 0.02 0.00
GLU41 HG3 0.97 0.048 0.03 0.00
GLU41 H 1.00 0.050 0.00 0.00
MET42 HA 1.00 0.148 0.00 0.00
MET42 HB2 1.00 0.003 1.00 0.25
MET42 HB3 1.00 1.076 0.00 0.00
MET42 HG2 1.00 0.004 1.00 0.20
MET42 HG3 1.00 0.004 1.00 0.21
MET42 H 1.00 0.003 1.00 -5463178.00
LYS43 H 1.00 0.001 1.00 -878593.00