ARECA's report on GLU111

Residue probability: 0.979
Residue probability confidence: 0.925

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.942 176.942 2.547 0.000 0.000
CA 59.357 57.442 3.837 0.889 1.000
CB 28.496 30.185 4.018 1.000 0.875
CG 36.010 36.085 1.533 1.000 0.875
N 119.144 120.574 4.837 1.000 1.000
HA 3.988 4.245 0.429 0.900 1.000
HB2 2.099 2.021 0.233 1.000 0.875
HB3 2.023 1.994 0.244 1.000 0.875
HG2 2.287 2.258 0.226 1.000 0.875
HG3 2.269 2.233 0.232 1.000 0.875
H 8.213 8.332 0.601 1.000 1.000
HE2 NA -- -- 0.000 0.000

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Detailed Probabilities of GLU(111)-CA:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 0.00 1.00
GLU111 1.00 1.00
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E111HA 1.00
E112H 1.00
E112HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.107 0.00 0.00
GLU111 HA 1.00 0.000 1.00 3.50
GLU111 HB2 1.00 0.000 1.00 0.32
GLU111 HB3 1.00 0.000 1.00 0.36
GLU111 HG2 1.00 0.000 1.00 0.12
GLU111 HG3 1.00 0.000 1.00 0.11
GLU111 H 1.00 0.000 1.00 0.13
GLU112 HA 1.00 0.009 1.00 3.50
GLU112 H 1.00 0.000 1.00 0.09

Detailed Probabilities of GLU(111)-CB:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 1.00 0.86
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E111HB3 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E111HE2 1.00
E111HB2 1.00
E112H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.000 1.00 0.14
GLU111 HB2 1.00 0.000 1.00 1.14
GLU111 HB3 1.00 0.000 1.00 0.88
GLU111 HG2 1.00 0.000 1.00 0.29
GLU111 HG3 1.00 0.000 1.00 0.23
GLU111 H 1.00 0.000 1.00 0.19
GLU112 H 1.00 0.000 1.00 0.14
GLU112 HA 0.69 0.009 1.00 0.14

Detailed Probabilities of GLU(111)-CG:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 1.00 0.86
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG3 1.00
E111H 1.00
E111HE2 1.00
E111HG2 1.00
E112H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.000 1.00 0.08
GLU111 HB2 1.00 0.000 1.00 1.60
GLU111 HB3 1.00 0.000 1.00 0.89
GLU111 HG2 1.00 0.000 1.00 18.43
GLU111 HG3 1.00 0.000 1.00 12.19
GLU111 H 1.00 0.000 1.00 0.09
GLU112 H 0.98 0.000 1.00 0.17

Detailed Probabilities of GLU(111)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 1.00 1.00
GLU111 1.00 1.00
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110H 1.00
D110HA 1.00
D110HB3 1.00
D110HB2 1.00
E111HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E112H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.000 1.00 -923.00
ASP110 HB2 1.00 0.000 1.00 -1494.00
ASP110 HB3 1.00 0.000 1.00 -2006.00
ASP110 H 1.00 0.000 1.00 -2657.00
GLU111 HA 1.00 0.000 1.00 -4402.00
GLU111 HB2 1.00 0.000 1.00 -7271.00
GLU111 HB3 1.00 0.000 1.00 -4044.00
GLU111 HG2 1.00 0.000 1.00 -3539.00
GLU111 HG3 1.00 0.000 1.00 -2600.00
GLU111 H 1.00 0.000 1.00 -62220.00
GLU112 H 1.00 0.004 1.00 -43010.00
GLU112 HA 0.88 0.009 1.00 -4402.00
GLU112 HB2 0.67 0.015 1.00 -7271.00

Detailed Probabilities of GLU(111)-HA:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 0.50 1.00
GLU111 1.00 1.00
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E111HA 1.00
E112H 1.00
E112HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.107 0.00 0.00
ASP110 HB2 0.54 0.011 1.00 0.01
GLU111 HA 1.00 0.000 1.00 3.50
GLU111 HB2 1.00 0.000 1.00 0.14
GLU111 HB3 1.00 0.000 1.00 0.15
GLU111 HG2 1.00 0.000 1.00 0.08
GLU111 HG3 1.00 0.000 1.00 0.08
GLU111 H 1.00 0.000 1.00 -4402.00
GLU112 HA 1.00 0.009 1.00 3.67
GLU112 H 1.00 0.000 1.00 -7680.00

Detailed Probabilities of GLU(111)-HB2:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 1.00 0.86
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E111HB3 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E111HE2 1.00
E111HB2 1.00
E112H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.000 1.00 0.32
GLU111 HB2 1.00 0.000 1.00 1.14
GLU111 HB3 1.00 0.000 1.00 0.83
GLU111 HG2 1.00 0.000 1.00 1.60
GLU111 HG3 1.00 0.000 1.00 1.60
GLU111 H 1.00 0.000 1.00 -7271.00
GLU112 H 1.00 0.000 1.00 -18860.00
GLU112 HA 0.69 0.006 1.00 0.69

Detailed Probabilities of GLU(111)-HB3:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 1.00 0.86
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E111HB2 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E111HE2 1.00
E111HB3 1.00
E112H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.000 1.00 0.36
GLU111 HB2 1.00 0.000 1.00 0.88
GLU111 HB3 1.00 0.000 1.00 0.97
GLU111 HG2 1.00 0.000 1.00 0.89
GLU111 HG3 1.00 0.000 1.00 0.89
GLU111 H 1.00 0.000 1.00 -4044.00
GLU112 H 1.00 0.000 1.00 -5534.00
GLU112 HA 0.81 0.017 1.00 0.61

Detailed Probabilities of GLU(111)-HG2:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 1.00 0.86
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG3 1.00
E111H 1.00
E111HE2 1.00
E111HG2 1.00
E112H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.000 1.00 0.12
GLU111 HB2 1.00 0.000 1.00 0.29
GLU111 HB3 1.00 0.000 1.00 0.24
GLU111 HG2 1.00 0.000 1.00 18.43
GLU111 HG3 1.00 0.000 1.00 18.43
GLU111 H 1.00 0.000 1.00 -3539.00
GLU112 H 0.98 0.000 1.00 -1239.00

Detailed Probabilities of GLU(111)-HG3:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 1.00 0.86
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG2 1.00
E111H 1.00
E111HE2 1.00
E111HG3 1.00
E112H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.000 1.00 0.11
GLU111 HB2 1.00 0.000 1.00 0.23
GLU111 HB3 1.00 0.000 1.00 0.18
GLU111 HG2 1.00 0.000 1.00 12.19
GLU111 HG3 1.00 0.000 1.00 12.19
GLU111 H 1.00 0.000 1.00 -2600.00
GLU112 H 0.97 0.000 1.00 -795.00

Detailed Probabilities of GLU(111)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 1.00 1.00
GLU111 1.00 1.00
GLU112 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110H 1.00
D110HA 1.00
D110HB3 1.00
D110HB2 1.00
E111HA 1.00
E111HB2 1.00
E111HB3 1.00
E111HG2 1.00
E111HG3 1.00
E111H 1.00
E112H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.000 1.00 0.04
ASP110 HB2 1.00 0.000 1.00 0.05
ASP110 HB3 1.00 0.000 1.00 0.08
ASP110 H 1.00 0.000 1.00 -7612.00
GLU111 HA 1.00 0.000 1.00 0.13
GLU111 HB2 1.00 0.000 1.00 0.19
GLU111 HB3 1.00 0.000 1.00 0.18
GLU111 HG2 1.00 0.000 1.00 0.09
GLU111 HG3 1.00 0.000 1.00 0.09
GLU111 H 1.00 0.000 1.00 -62220.00
GLU112 H 1.00 0.021 1.00 -81770.00
GLU112 HA 0.88 0.021 1.00 0.20
GLU112 HB2 0.67 0.008 1.00 0.23