ARECA's report on GLU59

Residue probability: 0.681
Residue probability confidence: 0.923

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 176.355 176.942 2.547 0.000 0.000
CA 58.129 57.442 3.837 0.727 1.000
CB 28.735 30.185 4.018 0.700 0.875
CG 36.010 36.085 1.533 0.843 0.875
N 129.678 120.574 4.837 0.850 1.000
HA 3.990 4.245 0.429 0.545 1.000
HB2 1.941 2.021 0.233 0.714 0.875
HB3 1.990 1.994 0.244 0.500 0.875
HG2 2.293 2.258 0.226 0.429 0.875
HG3 2.233 2.233 0.232 0.500 0.857
H 8.480 8.332 0.601 1.000 1.000
HE2 NA -- -- 0.000 0.000

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Detailed Probabilities of GLU(59)-CA:

Overall probability: 0.727
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.50 1.00
GLU59 0.67 1.00
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
E59HA 1.00
G60H 1.00
G60HA2 1.00
G60HA3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.141 0.00 0.00
ILE58 H 0.93 0.011 1.00 0.15
GLU59 HA 1.00 0.010 1.00 36.36
GLU59 HB2 1.00 0.057 0.00 0.00
GLU59 HB3 1.00 0.008 1.00 2.52
GLU59 HG2 1.00 0.063 0.00 0.00
GLU59 HG3 1.00 0.003 1.00 2.15
GLU59 H 1.00 0.004 1.00 0.77
GLY60 HA2 1.00 0.003 1.00 0.23
GLY60 HA3 1.00 0.003 1.00 0.13
GLY60 H 1.00 0.002 1.00 2.99

Detailed Probabilities of GLU(59)-CB:

Overall probability: 0.700
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU59 0.60 0.86
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E59HA 1.00
E59HB3 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
E59HE2 1.00
E59HB2 1.00
G60H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU59 HA 1.00 1.768 0.00 0.00
GLU59 HB2 1.00 0.015 1.00 18.77
GLU59 HB3 1.00 0.034 0.60 0.00
GLU59 HG2 1.00 0.071 0.00 0.00
GLU59 HG3 1.00 0.011 1.00 2.87
GLU59 H 1.00 0.002 1.00 1.75
GLY60 H 1.00 0.001 1.00 0.40
GLY60 HA3 0.58 0.010 1.00 0.09

Detailed Probabilities of GLU(59)-CG:

Overall probability: 0.843
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU59 0.82 0.86
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E59HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG3 1.00
E59H 1.00
E59HE2 1.00
E59HG2 1.00
G60H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU59 HA 1.00 0.002 1.00 0.83
GLU59 HB2 1.00 0.018 1.00 3.06
GLU59 HB3 1.00 0.031 0.90 0.00
GLU59 HG2 1.00 0.004 1.00 51.53
GLU59 HG3 1.00 0.040 0.00 0.00
GLU59 H 1.00 0.001 1.00 0.69
GLY60 H 0.96 0.001 1.00 0.50

Detailed Probabilities of GLU(59)-N:

Overall probability: 0.850
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.84 1.00
GLU59 0.83 1.00
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HG13 0.95
I58HG22 0.98
I58HA 1.00
I58HG12 0.98
I58HB 1.00
I58H 1.00
E59HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
G60H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.002 1.00 -5666734.00
ILE58 HB 1.00 0.008 1.00 -401962.00
ILE58 HG12 0.98 0.000 1.00 -328925.00
ILE58 HG13 0.95 0.041 0.05 0.00
ILE58 HG21 0.99 0.000 1.00 -2197467.00
ILE58 H 1.00 0.002 1.00 -393504.00
GLU59 HA 1.00 0.001 1.00 -1748941.00
GLU59 HB2 1.00 0.027 1.00 -4064677.00
GLU59 HB3 1.00 0.022 1.00 -4064677.00
GLU59 HG2 1.00 0.014 1.00 -1050866.00
GLU59 HG3 1.00 0.046 0.00 0.00
GLU59 H 1.00 0.000 1.00 -19361902.00
GLY60 H 1.00 0.000 1.00 -447511.00

Detailed Probabilities of GLU(59)-HA:

Overall probability: 0.545
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 1.00 1.00
GLU59 0.50 1.00
GLY60 0.33 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
E59HA 1.00
G60H 1.00
G60HA2 1.00
G60HA3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.009 1.00 0.31
ILE58 H 0.93 0.022 1.00 -400644.00
GLU59 HA 1.00 0.010 1.00 36.36
GLU59 HB2 1.00 1.768 0.00 0.00
GLU59 HB3 1.00 0.125 0.00 0.00
GLU59 HG2 1.00 0.002 1.00 0.83
GLU59 HG3 1.00 0.121 0.00 0.00
GLU59 H 1.00 0.001 1.00 -1748941.00
GLY60 HA2 1.00 4.280 0.00 0.00
GLY60 HA3 1.00 0.217 0.00 0.00
GLY60 H 1.00 0.003 1.00 -5390419.00

Detailed Probabilities of GLU(59)-HB2:

Overall probability: 0.714
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU59 0.67 0.86
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E59HA 1.00
E59HB3 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
E59HE2 1.00
E59HB2 1.00
G60H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU59 HA 1.00 0.057 0.00 0.00
GLU59 HB2 1.00 0.015 1.00 18.77
GLU59 HB3 1.00 0.009 1.00 18.54
GLU59 HG2 1.00 0.018 1.00 3.06
GLU59 HG3 1.00 1.229 0.00 0.00
GLU59 H 1.00 0.027 1.00 -4064677.00
GLY60 H 1.00 0.006 1.00 -820474.00

Detailed Probabilities of GLU(59)-HB3:

Overall probability: 0.500
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU59 0.58 0.86
GLY60 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
E59HA 1.00
E59HB2 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
E59HE2 1.00
E59HB3 1.00
G60H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU59 HA 1.00 0.008 1.00 2.52
GLU59 HB2 1.00 0.034 0.60 0.00
GLU59 HB3 1.00 0.040 0.00 0.00
GLU59 HG2 1.00 0.031 0.90 0.00
GLU59 HG3 1.00 1.180 0.00 0.00
GLU59 H 1.00 0.022 1.00 -4064677.00
GLY60 H 1.00 0.043 0.00 0.00

Detailed Probabilities of GLU(59)-HG2:

Overall probability: 0.429
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU59 0.33 0.86
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E59HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG3 1.00
E59H 1.00
E59HE2 1.00
E59HG2 1.00
G60H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU59 HA 1.00 0.063 0.00 0.00
GLU59 HB2 1.00 0.071 0.00 0.00
GLU59 HB3 1.00 0.074 0.00 0.00
GLU59 HG2 1.00 0.004 1.00 51.53
GLU59 HG3 1.00 0.877 0.00 0.00
GLU59 H 1.00 0.014 1.00 -1050866.00
GLY60 H 0.96 0.018 1.00 -630400.00

Detailed Probabilities of GLU(59)-HG3:

Overall probability: 0.500
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU59 0.50 0.86

Expected NOESY Contacts
Proton Expected probability
E59HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG2 1.00
E59H 1.00
E59HE2 1.00
E59HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU59 HA 1.00 0.003 1.00 2.15
GLU59 HB2 1.00 0.011 1.00 2.87
GLU59 HB3 1.00 0.014 1.00 2.72
GLU59 HG2 1.00 0.040 0.00 0.00
GLU59 HG3 1.00 0.937 0.00 0.00
GLU59 H 1.00 0.046 0.00 0.00

Detailed Probabilities of GLU(59)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 1.00 1.00
GLU59 1.00 1.00
GLY60 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HG13 0.95
I58HG22 0.98
I58HA 1.00
I58HG12 0.98
I58HB 1.00
I58H 1.00
E59HA 1.00
E59HB2 1.00
E59HB3 1.00
E59HG2 1.00
E59HG3 1.00
E59H 1.00
G60H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.001 1.00 2.81
ILE58 HB 1.00 0.003 1.00 0.11
ILE58 HG12 0.98 0.002 1.00 0.20
ILE58 HG13 0.95 0.008 1.00 0.10
ILE58 HG21 0.99 0.004 1.00 0.79
ILE58 H 1.00 0.002 1.00 -323521.00
GLU59 HA 1.00 0.004 1.00 0.77
GLU59 HB2 1.00 0.002 1.00 1.75
GLU59 HB3 1.00 0.001 1.00 1.56
GLU59 HG2 1.00 0.001 1.00 0.69
GLU59 HG3 1.00 0.006 1.00 0.61
GLU59 H 1.00 0.000 1.00 -19361902.00
GLY60 H 1.00 0.003 1.00 -348757.00