ARECA's report on GLU21

Residue probability: 0.902
Residue probability confidence: 0.925

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.088 176.942 2.547 0.000 0.000
CA 58.894 57.442 3.837 0.778 1.000
CB 29.434 30.185 4.018 1.000 0.875
CG 35.314 36.085 1.533 1.000 0.875
N 118.488 120.574 4.837 1.000 1.000
HA 3.963 4.245 0.429 0.791 1.000
HB2 2.116 2.021 0.233 0.857 0.875
HB3 1.973 1.994 0.244 0.875 0.875
HG2 2.106 2.258 0.226 0.859 0.875
HG3 2.104 2.233 0.232 0.862 0.875
H 7.665 8.332 0.601 1.000 1.000
HE2 NA -- -- 0.000 0.000

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Detailed Probabilities of GLU(21)-CA:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS20 0.00 1.00
GLU21 1.00 1.00
VAL22 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K20HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
E21HA 1.00
V22H 1.00
V22HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS20 HA 1.00 0.124 0.00 0.00
GLU21 HA 1.00 0.000 1.00 2.20
GLU21 HB2 1.00 0.000 1.00 0.44
GLU21 HB3 1.00 0.000 1.00 0.19
GLU21 HG2 1.00 0.000 1.00 0.42
GLU21 HG3 1.00 0.000 1.00 0.42
GLU21 H 1.00 0.000 1.00 0.15
VAL22 HA 1.00 0.169 0.00 0.00
VAL22 H 1.00 0.008 1.00 0.03

Detailed Probabilities of GLU(21)-CB:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU21 1.00 0.86
VAL22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E21HA 1.00
E21HB3 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
E21HE2 1.00
E21HB2 1.00
V22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU21 HA 1.00 0.000 1.00 0.15
GLU21 HB2 1.00 0.000 1.00 4.84
GLU21 HB3 1.00 0.000 1.00 0.98
GLU21 HG2 1.00 0.000 1.00 5.62
GLU21 HG3 1.00 0.000 1.00 5.62
GLU21 H 1.00 0.000 1.00 0.15
VAL22 H 1.00 0.002 1.00 0.13
VAL22 HA 0.63 0.002 1.00 0.15

Detailed Probabilities of GLU(21)-CG:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU21 1.00 0.86
VAL22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E21HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG3 1.00
E21H 1.00
E21HE2 1.00
E21HG2 1.00
V22H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU21 HA 1.00 0.000 1.00 0.10
GLU21 HB2 1.00 0.000 1.00 3.19
GLU21 HB3 1.00 0.000 1.00 0.40
GLU21 HG2 1.00 0.000 1.00 3.25
GLU21 HG3 1.00 0.000 1.00 3.25
GLU21 H 1.00 0.000 1.00 0.11
VAL22 H 0.98 0.007 1.00 0.04

Detailed Probabilities of GLU(21)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS20 1.00 1.00
GLU21 1.00 1.00
VAL22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K20HG3 0.97
K20HB2 1.00
K20HA 1.00
K20H 1.00
K20HG2 0.98
E21HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
V22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS20 HA 1.00 0.000 1.00 -4610.00
LYS20 HB2 1.00 0.000 1.00 -9191.00
LYS20 HG2 0.98 0.000 1.00 -8760.00
LYS20 HG3 0.97 0.000 1.00 -1180.00
LYS20 H 1.00 0.000 1.00 -3760.00
GLU21 HA 1.00 0.000 1.00 -4090.00
GLU21 HB2 1.00 0.000 1.00 -9880.00
GLU21 HB3 1.00 0.000 1.00 -4553.00
GLU21 HG2 1.00 0.000 1.00 -10040.00
GLU21 HG3 1.00 0.000 1.00 -10040.00
GLU21 H 1.00 0.000 1.00 -87420.00
VAL22 H 1.00 0.000 1.00 -1184.00
VAL22 HA 0.91 0.016 1.00 -2046.00

Detailed Probabilities of GLU(21)-HA:

Overall probability: 0.791
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS20 0.90 1.00
GLU21 1.00 1.00
VAL22 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K20HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
E21HA 1.00
V22H 1.00
V22HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS20 HA 1.00 0.033 0.70 0.00
LYS20 HB2 0.65 0.029 1.00 0.27
LYS20 H 0.87 0.029 1.00 -2187.00
GLU21 HA 1.00 0.000 1.00 2.20
GLU21 HB2 1.00 0.000 1.00 0.15
GLU21 HB3 1.00 0.000 1.00 0.08
GLU21 HG2 1.00 0.000 1.00 0.10
GLU21 HG3 1.00 0.000 1.00 0.10
GLU21 H 1.00 0.000 1.00 -4090.00
VAL22 HA 1.00 0.092 0.00 0.00
VAL22 H 1.00 3.103 0.00 0.00

Detailed Probabilities of GLU(21)-HB2:

Overall probability: 0.857
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU21 1.00 0.86
VAL22 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
E21HA 1.00
E21HB3 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
E21HE2 1.00
E21HB2 1.00
V22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU21 HA 1.00 0.000 1.00 0.44
GLU21 HB2 1.00 0.000 1.00 4.84
GLU21 HB3 1.00 0.000 1.00 0.91
GLU21 HG2 1.00 0.000 1.00 3.19
GLU21 HG3 1.00 0.000 1.00 3.19
GLU21 H 1.00 0.000 1.00 -9880.00
VAL22 H 1.00 1.256 0.00 0.00

Detailed Probabilities of GLU(21)-HB3:

Overall probability: 0.875
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU21 1.00 0.86
VAL22 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E21HA 1.00
E21HB2 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
E21HE2 1.00
E21HB3 1.00
V22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU21 HA 1.00 0.000 1.00 0.19
GLU21 HB2 1.00 0.000 1.00 0.98
GLU21 HB3 1.00 0.000 1.00 1.39
GLU21 HG2 1.00 0.000 1.00 0.40
GLU21 HG3 1.00 0.000 1.00 0.40
GLU21 H 1.00 0.000 1.00 -4553.00
VAL22 H 1.00 1.113 0.00 0.00
VAL22 HA 0.84 0.011 1.00 0.16

Detailed Probabilities of GLU(21)-HG2:

Overall probability: 0.859
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU21 1.00 0.86
VAL22 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
E21HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG3 1.00
E21H 1.00
E21HE2 1.00
E21HG2 1.00
V22H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU21 HA 1.00 0.000 1.00 0.42
GLU21 HB2 1.00 0.000 1.00 5.62
GLU21 HB3 1.00 0.000 1.00 1.00
GLU21 HG2 1.00 0.000 1.00 3.25
GLU21 HG3 1.00 0.000 1.00 3.25
GLU21 H 1.00 0.000 1.00 -10040.00
VAL22 H 0.98 1.246 0.02 0.00

Detailed Probabilities of GLU(21)-HG3:

Overall probability: 0.862
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU21 1.00 0.86
VAL22 0.04 1.00

Expected NOESY Contacts
Proton Expected probability
E21HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG2 1.00
E21H 1.00
E21HE2 1.00
E21HG3 1.00
V22H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU21 HA 1.00 0.000 1.00 0.42
GLU21 HB2 1.00 0.000 1.00 5.62
GLU21 HB3 1.00 0.000 1.00 1.00
GLU21 HG2 1.00 0.000 1.00 3.25
GLU21 HG3 1.00 0.000 1.00 3.25
GLU21 H 1.00 0.000 1.00 -10040.00
VAL22 H 0.96 1.244 0.04 0.00

Detailed Probabilities of GLU(21)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS20 1.00 1.00
GLU21 1.00 1.00
VAL22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K20HG3 0.97
K20HB2 1.00
K20HA 1.00
K20H 1.00
K20HG2 0.98
E21HA 1.00
E21HB2 1.00
E21HB3 1.00
E21HG2 1.00
E21HG3 1.00
E21H 1.00
V22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS20 HA 1.00 0.000 1.00 0.09
LYS20 HB2 1.00 0.000 1.00 0.16
LYS20 HG2 0.98 0.000 1.00 0.03
LYS20 HG3 0.97 0.000 1.00 0.03
LYS20 H 1.00 0.000 1.00 -8032.00
GLU21 HA 1.00 0.000 1.00 0.15
GLU21 HB2 1.00 0.000 1.00 0.15
GLU21 HB3 1.00 0.000 1.00 0.09
GLU21 HG2 1.00 0.000 1.00 0.11
GLU21 HG3 1.00 0.000 1.00 0.11
GLU21 H 1.00 0.000 1.00 -87420.00
VAL22 H 1.00 0.017 1.00 -107.00