ARECA's report on GLU41

Residue probability: 0.800
Residue probability confidence: 0.925

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.504 176.942 2.547 0.000 0.000
CA 58.074 57.442 3.837 0.790 1.000
CB 28.246 30.185 4.018 0.714 0.875
CG 34.904 36.085 1.533 0.860 0.875
N 119.647 120.574 4.837 0.847 1.000
HA 4.263 4.245 0.429 0.700 1.000
HB2 1.950 2.021 0.233 1.000 0.875
HB3 1.949 1.994 0.244 1.000 0.875
HG2 2.133 2.258 0.226 0.431 0.875
HG3 2.459 2.233 0.232 0.857 0.875
H 8.721 8.332 0.601 0.800 1.000
HE2 NA -- -- 0.000 0.000

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Detailed Probabilities of GLU(41)-CA:

Overall probability: 0.790
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 1.00 1.00
GLU41 0.98 1.00
MET42 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
E41HA 1.00
M42HA 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.016 1.00 0.10
LYS40 HB3 0.80 0.026 1.00 2.01
GLU41 HA 1.00 0.019 1.00 12.17
GLU41 HB2 1.00 0.031 0.90 0.00
GLU41 HB3 1.00 0.030 1.00 0.00
GLU41 HG2 1.00 0.015 1.00 0.32
GLU41 HG3 1.00 0.009 1.00 0.20
GLU41 H 1.00 0.011 1.00 0.43
MET42 HA 1.00 0.101 0.00 0.00
MET42 H 1.00 0.047 0.00 0.00

Detailed Probabilities of GLU(41)-CB:

Overall probability: 0.714
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.83 0.86
MET42 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
E41HB3 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
E41HE2 1.00
E41HB2 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.004 1.00 0.33
GLU41 HB2 1.00 0.001 1.00 2.05
GLU41 HB3 1.00 0.002 1.00 2.05
GLU41 HG2 1.00 0.182 0.00 0.00
GLU41 HG3 1.00 0.002 1.00 0.42
GLU41 H 1.00 0.017 1.00 0.42
MET42 H 1.00 0.041 0.00 0.00

Detailed Probabilities of GLU(41)-CG:

Overall probability: 0.860
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 1.00 0.86
MET42 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG3 1.00
E41H 1.00
E41HE2 1.00
E41HG2 1.00
M42H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.006 1.00 0.10
GLU41 HB2 1.00 0.027 1.00 2.24
GLU41 HB3 1.00 0.028 1.00 2.24
GLU41 HG2 1.00 0.024 1.00 17.61
GLU41 HG3 1.00 0.005 1.00 1.29
GLU41 H 1.00 0.002 1.00 0.21
MET42 H 0.98 0.056 0.02 0.00

Detailed Probabilities of GLU(41)-N:

Overall probability: 0.847
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.84 1.00
GLU41 1.00 1.00
MET42 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HG3 0.97
K40HB2 1.00
K40HA 1.00
K40H 1.00
K40HB3 1.00
K40HG2 0.98
E41HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.010 1.00 -287422.00
LYS40 HB2 1.00 0.038 0.20 0.00
LYS40 HB3 1.00 0.007 1.00 -1920456.00
LYS40 HG2 0.98 0.024 1.00 -132344.00
LYS40 HG3 0.97 0.035 0.50 0.00
LYS40 H 1.00 0.007 1.00 -1015424.00
LYS40 HD2 0.59 0.026 1.00 -170243.00
LYS40 HD3 0.62 0.025 1.00 -170243.00
GLU41 HA 1.00 0.002 1.00 -511714.00
GLU41 HB2 1.00 0.002 1.00 -1920456.00
GLU41 HB3 1.00 0.003 1.00 -1920456.00
GLU41 HG2 1.00 0.002 1.00 -469794.00
GLU41 HG3 1.00 0.002 1.00 -638438.00
GLU41 H 1.00 0.008 1.00 -6036754.00
MET42 H 1.00 0.050 0.00 0.00

Detailed Probabilities of GLU(41)-HA:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.50 1.00
GLU41 0.83 1.00
MET42 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
E41HA 1.00
M42HA 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.221 0.00 0.00
LYS40 H 0.87 0.012 1.00 -98765.00
GLU41 HA 1.00 0.019 1.00 12.17
GLU41 HB2 1.00 0.004 1.00 0.33
GLU41 HB3 1.00 0.004 1.00 0.33
GLU41 HG2 1.00 0.006 1.00 0.10
GLU41 HG3 1.00 0.353 0.00 0.00
GLU41 H 1.00 0.002 1.00 -511714.00
MET42 HA 1.00 0.083 0.00 0.00
MET42 H 1.00 0.006 1.00 -173560.00

Detailed Probabilities of GLU(41)-HB2:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 1.00 0.86
MET42 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
E41HB3 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
E41HE2 1.00
E41HB2 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.030 1.00 0.00
GLU41 HB2 1.00 0.002 1.00 2.05
GLU41 HB3 1.00 0.002 1.00 2.05
GLU41 HG2 1.00 0.028 1.00 2.24
GLU41 HG3 1.00 0.002 1.00 0.66
GLU41 H 1.00 0.003 1.00 -1920456.00
MET42 H 1.00 0.004 1.00 -985493.00

Detailed Probabilities of GLU(41)-HB3:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 1.00 0.86
MET42 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
E41HB2 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
E41HE2 1.00
E41HB3 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.030 1.00 0.00
GLU41 HB2 1.00 0.002 1.00 2.05
GLU41 HB3 1.00 0.002 1.00 2.05
GLU41 HG2 1.00 0.028 1.00 2.24
GLU41 HG3 1.00 0.002 1.00 0.66
GLU41 H 1.00 0.003 1.00 -1920456.00
MET42 H 1.00 0.004 1.00 -985493.00

Detailed Probabilities of GLU(41)-HG2:

Overall probability: 0.431
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.50 0.86
MET42 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG3 1.00
E41H 1.00
E41HE2 1.00
E41HG2 1.00
M42H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.015 1.00 0.32
GLU41 HB2 1.00 0.182 0.00 0.00
GLU41 HB3 1.00 0.182 0.00 0.00
GLU41 HG2 1.00 0.024 1.00 17.61
GLU41 HG3 1.00 0.182 0.00 0.00
GLU41 H 1.00 0.002 1.00 -469794.00
MET42 H 0.98 0.052 0.02 0.00

Detailed Probabilities of GLU(41)-HG3:

Overall probability: 0.857
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU41 0.83 0.86
MET42 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E41HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG2 1.00
E41H 1.00
E41HE2 1.00
E41HG3 1.00
M42H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU41 HA 1.00 0.009 1.00 0.20
GLU41 HB2 1.00 0.002 1.00 0.42
GLU41 HB3 1.00 0.002 1.00 0.42
GLU41 HG2 1.00 0.005 1.00 1.29
GLU41 HG3 1.00 0.508 0.00 0.00
GLU41 H 1.00 0.002 1.00 -638438.00
MET42 H 0.97 0.001 1.00 -85959.00

Detailed Probabilities of GLU(41)-H:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.75 1.00
GLU41 1.00 1.00
MET42 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HG3 0.97
K40HB2 1.00
K40HA 1.00
K40H 1.00
K40HB3 1.00
K40HG2 0.98
E41HA 1.00
E41HB2 1.00
E41HB3 1.00
E41HG2 1.00
E41HG3 1.00
E41H 1.00
M42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.015 1.00 0.28
LYS40 HB2 1.00 0.096 0.00 0.00
LYS40 HB3 1.00 0.184 0.00 0.00
LYS40 HG2 0.98 0.001 1.00 0.13
LYS40 HG3 0.97 0.014 1.00 0.07
LYS40 H 1.00 0.007 1.00 -980247.00
LYS40 HD2 0.59 0.011 1.00 0.29
LYS40 HD3 0.62 0.011 1.00 0.29
GLU41 HA 1.00 0.011 1.00 0.43
GLU41 HB2 1.00 0.017 1.00 0.42
GLU41 HB3 1.00 0.017 1.00 0.42
GLU41 HG2 1.00 0.002 1.00 0.21
GLU41 HG3 1.00 0.010 1.00 0.23
GLU41 H 1.00 0.008 1.00 -6036754.00
MET42 H 1.00 0.055 0.00 0.00