ARECA's report on GLU79

Residue probability: 0.811
Residue probability confidence: 0.910

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 176.849 176.942 2.547 0.000 0.000
CA 57.741 57.442 3.837 0.889 1.000
CB 28.980 30.185 4.018 0.714 0.875
CG 36.541 36.085 1.533 0.857 0.875
N 117.872 120.574 4.837 0.857 0.923
HA 4.003 4.245 0.429 0.636 1.000
HB2 2.010 2.021 0.233 0.429 0.875
HB3 1.935 1.994 0.244 0.875 0.875
HG2 2.229 2.258 0.226 1.000 0.875
HG3 2.230 2.233 0.232 1.000 0.875
H 8.370 8.332 0.601 0.857 0.923
HE2 NA -- -- 0.000 0.000

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Detailed Probabilities of GLU(79)-CA:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU78 1.00 1.00
GLU79 0.83 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E78HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
E79HA 1.00
L80H 1.00
L80HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU78 HA 1.00 0.022 1.00 36.36
GLU79 HA 1.00 0.003 1.00 36.36
GLU79 HB2 1.00 0.012 1.00 2.52
GLU79 HB3 1.00 0.063 0.00 0.00
GLU79 HG2 1.00 0.001 1.00 2.15
GLU79 HG3 1.00 0.000 1.00 2.15
GLU79 H 1.00 0.003 1.00 1.47
LEU80 HA 1.00 0.004 1.00 0.23
LEU80 H 1.00 0.026 1.00 0.64

Detailed Probabilities of GLU(79)-CB:

Overall probability: 0.714
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 0.67 0.86
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
E79HB3 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
E79HE2 1.00
E79HB2 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.138 0.00 0.00
GLU79 HB2 1.00 0.060 0.00 0.00
GLU79 HB3 1.00 0.015 1.00 18.54
GLU79 HG2 1.00 0.010 1.00 2.72
GLU79 HG3 1.00 0.011 1.00 2.72
GLU79 H 1.00 0.008 1.00 0.73
LEU80 H 1.00 0.000 1.00 0.26

Detailed Probabilities of GLU(79)-CG:

Overall probability: 0.857
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 0.83 0.86
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG3 1.00
E79H 1.00
E79HE2 1.00
E79HG2 1.00
L80H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.019 1.00 1.51
GLU79 HB2 1.00 0.061 0.00 0.00
GLU79 HB3 1.00 0.012 1.00 3.05
GLU79 HG2 1.00 0.009 1.00 180.23
GLU79 HG3 1.00 0.010 1.00 180.23
GLU79 H 1.00 0.008 1.00 0.77
LEU80 H 0.97 0.017 1.00 0.17

Detailed Probabilities of GLU(79)-N:

Overall probability: 0.857
Overall confidence: 0.923

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU78 0.60 0.83
GLU79 1.00 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E78HG2 0.98
E78HA 1.00
E78H 1.00
E78HB3 1.00
E78HG3 0.97
E78HB2 1.00
E79HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU78 HA 1.00 0.015 1.00 -2159032.00
GLU78 HB2 1.00 0.051 0.00 0.00
GLU78 HB3 1.00 0.052 0.00 0.00
GLU78 HG2 0.98 0.002 1.00 -320469.00
GLU78 HG3 0.97 0.005 1.00 -320469.00
GLU79 HA 1.00 0.004 1.00 -2159032.00
GLU79 HB2 1.00 0.005 1.00 -1788928.00
GLU79 HB3 1.00 0.009 1.00 -2408894.00
GLU79 HG2 1.00 0.003 1.00 -1654494.00
GLU79 HG3 1.00 0.004 1.00 -1654494.00
GLU79 H 1.00 0.003 1.00 -15771137.00
LEU80 H 1.00 0.000 1.00 -2754307.00
LEU80 HA 0.93 0.007 1.00 -180036.00
LEU80 HB2 0.69 0.002 1.00 -232805.00

Detailed Probabilities of GLU(79)-HA:

Overall probability: 0.636
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU78 0.67 1.00
GLU79 0.67 1.00
LEU80 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E78HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
E79HA 1.00
L80H 1.00
L80HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU78 HA 1.00 0.339 0.00 0.00
GLU78 HB2 0.69 0.020 1.00 1.62
GLU78 HB3 0.81 0.020 1.00 1.62
GLU79 HA 1.00 0.003 1.00 36.36
GLU79 HB2 1.00 0.138 0.00 0.00
GLU79 HB3 1.00 1.781 0.00 0.00
GLU79 HG2 1.00 0.019 1.00 1.51
GLU79 HG3 1.00 0.019 1.00 1.51
GLU79 H 1.00 0.004 1.00 -2159032.00
LEU80 HA 1.00 0.200 0.00 0.00
LEU80 H 1.00 0.005 1.00 -1212178.00

Detailed Probabilities of GLU(79)-HB2:

Overall probability: 0.429
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 0.33 0.86
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
E79HB3 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
E79HE2 1.00
E79HB2 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.012 1.00 2.52
GLU79 HB2 1.00 0.060 0.00 0.00
GLU79 HB3 1.00 0.054 0.00 0.00
GLU79 HG2 1.00 0.061 0.00 0.00
GLU79 HG3 1.00 0.061 0.00 0.00
GLU79 H 1.00 0.005 1.00 -1788928.00
LEU80 H 1.00 0.000 1.00 -719066.00

Detailed Probabilities of GLU(79)-HB3:

Overall probability: 0.875
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 0.83 0.86
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
E79HB2 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
E79HE2 1.00
E79HB3 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.063 0.00 0.00
GLU79 HB2 1.00 0.015 1.00 18.54
GLU79 HB3 1.00 0.021 1.00 18.77
GLU79 HG2 1.00 0.012 1.00 3.05
GLU79 HG3 1.00 0.012 1.00 3.05
GLU79 H 1.00 0.009 1.00 -2408894.00
LEU80 H 1.00 0.009 1.00 -932733.00
LEU80 HA 0.87 0.002 1.00 0.07

Detailed Probabilities of GLU(79)-HG2:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 1.00 0.86
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG3 1.00
E79H 1.00
E79HE2 1.00
E79HG2 1.00
L80H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.000 1.00 2.15
GLU79 HB2 1.00 0.011 1.00 2.72
GLU79 HB3 1.00 0.008 1.00 2.87
GLU79 HG2 1.00 0.010 1.00 180.23
GLU79 HG3 1.00 0.010 1.00 180.23
GLU79 H 1.00 0.004 1.00 -1654494.00
LEU80 H 0.97 0.005 1.00 -514014.00

Detailed Probabilities of GLU(79)-HG3:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 1.00 0.86
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG2 1.00
E79H 1.00
E79HE2 1.00
E79HG3 1.00
L80H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.000 1.00 2.15
GLU79 HB2 1.00 0.011 1.00 2.72
GLU79 HB3 1.00 0.008 1.00 2.87
GLU79 HG2 1.00 0.010 1.00 180.23
GLU79 HG3 1.00 0.010 1.00 180.23
GLU79 H 1.00 0.004 1.00 -1654494.00
LEU80 H 0.97 0.005 1.00 -514014.00

Detailed Probabilities of GLU(79)-H:

Overall probability: 0.857
Overall confidence: 0.923

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU78 0.80 0.83
GLU79 0.83 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E78HG2 0.98
E78HA 1.00
E78H 1.00
E78HB3 1.00
E78HG3 0.97
E78HB2 1.00
E79HA 1.00
E79HB2 1.00
E79HB3 1.00
E79HG2 1.00
E79HG3 1.00
E79H 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU78 HA 1.00 0.114 0.00 0.00
GLU78 HB2 1.00 0.004 1.00 0.38
GLU78 HB3 1.00 0.004 1.00 0.38
GLU78 HG2 0.98 0.030 1.00 0.00
GLU78 HG3 0.97 0.030 1.00 0.00
GLU79 HA 1.00 0.003 1.00 1.47
GLU79 HB2 1.00 0.008 1.00 0.73
GLU79 HB3 1.00 0.112 0.00 0.00
GLU79 HG2 1.00 0.008 1.00 0.77
GLU79 HG3 1.00 0.008 1.00 0.77
GLU79 H 1.00 0.003 1.00 -15771137.00
LEU80 H 1.00 0.004 1.00 -2684479.00
LEU80 HA 0.93 0.011 1.00 0.08
LEU80 HB2 0.69 0.010 1.00 0.11