ARECA's report on ARG57

Residue probability: 0.841
Residue probability confidence: 0.867

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.964 176.453 2.303 0.000 0.000
CA 57.175 56.803 3.326 0.769 1.000
CB 29.511 30.892 2.424 0.938 0.889
CG 27.310 27.247 1.538 0.912 0.800
CD 43.100 43.189 1.415 1.000 0.667
N 116.822 120.701 3.779 0.993 1.000
NE NA -- -- 0.000 0.000
NH1 NA -- -- 0.000 0.000
NH2 NA -- -- 0.000 0.000
HA 4.211 4.301 0.495 0.833 1.000
HB2 1.898 1.793 0.292 0.538 0.889
HB3 2.051 1.757 0.307 0.625 0.889
HG2 1.713 1.559 0.294 1.000 0.800
HG3 1.944 1.535 0.310 0.550 0.800
HD 3.208 3.105 0.301 1.000 0.667
H 7.232 8.248 0.623 0.938 1.000
HE NA -- -- 0.000 0.000
HH1 NA -- -- 0.000 0.000
HH2 NA -- -- 0.000 0.000

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Detailed Probabilities of ARG(57)-CA:

Overall probability: 0.769
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.67 1.00
ARG57 0.71 1.00
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57HD2 0.98
R57H 1.00
R57HA 1.00
I58H 1.00
I58HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.094 0.00 0.00
PHE56 HB2 0.64 0.010 1.00 0.43
PHE56 H 0.90 0.018 1.00 0.07
ARG57 HA 1.00 0.010 1.00 12.88
ARG57 HB2 1.00 0.156 0.00 0.00
ARG57 HB3 1.00 0.003 1.00 1.19
ARG57 HG2 1.00 0.009 1.00 1.09
ARG57 HG3 1.00 0.110 0.00 0.00
ARG57 HD2 0.98 0.001 1.00 0.43
ARG57 H 1.00 0.003 1.00 0.72
ILE58 HA 1.00 0.012 1.00 0.08
ILE58 H 1.00 0.002 1.00 0.29
ILE58 HG12 0.51 0.002 1.00 1.09

Detailed Probabilities of ARG(57)-CB:

Overall probability: 0.938
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 0.93 0.88
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HG2 1.00
R57HG3 1.00
R57HD2 1.00
R57H 1.00
R57HE 1.00
R57HB3 1.00
I58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.006 1.00 0.70
ARG57 HB2 1.00 0.011 1.00 3.56
ARG57 HB3 1.00 0.010 1.00 28.37
ARG57 HG2 1.00 0.007 1.00 1.04
ARG57 HG3 1.00 0.035 0.50 0.00
ARG57 HD2 1.00 0.005 1.00 0.46
ARG57 H 1.00 0.002 1.00 0.51
ILE58 H 1.00 0.002 1.00 0.09

Detailed Probabilities of ARG(57)-CG:

Overall probability: 0.912
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 0.90 0.78
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG3 1.00
R57HD2 1.00
R57H 1.00
R57HE 1.00
R57HH11 1.00
R57HG2 1.00
I58H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.003 1.00 0.85
ARG57 HB2 1.00 0.037 0.30 0.00
ARG57 HB3 1.00 0.005 1.00 1.36
ARG57 HG2 1.00 0.003 1.00 27.01
ARG57 HG3 1.00 0.009 1.00 5.96
ARG57 HD2 1.00 0.001 1.00 1.23
ARG57 H 1.00 0.000 1.00 0.61
ILE58 H 0.97 0.001 1.00 0.83

Detailed Probabilities of ARG(57)-CD:

Overall probability: 1.000
Overall confidence: 0.667

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 1.00 0.67

Expected NOESY Contacts
Proton Expected probability
R57HA 0.98
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57HD3 1.00
R57HE 1.00
R57HH11 1.00
R57HH21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 0.97 0.005 1.00 0.48
ARG57 HB2 1.00 0.030 1.00 0.00
ARG57 HB3 1.00 0.016 1.00 1.32
ARG57 HG2 1.00 0.002 1.00 1.77
ARG57 HG3 1.00 0.016 1.00 2.31
ARG57 HD2 1.00 0.014 1.00 52.97
ARG57 H 0.86 0.019 1.00 0.62

Detailed Probabilities of ARG(57)-N:

Overall probability: 0.993
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00
ARG57 0.99 1.00
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HB2 1.00
F56H 1.00
F56HA 1.00
F56HB3 1.00
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57H 1.00
I58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.002 1.00 -650043.00
PHE56 HB2 1.00 0.003 1.00 -761685.00
PHE56 HB3 1.00 0.002 1.00 -356000.00
PHE56 H 1.00 0.003 1.00 -1324723.00
ARG57 HA 1.00 0.007 1.00 -1803657.00
ARG57 HB2 1.00 0.015 1.00 -3161249.00
ARG57 HB3 1.00 0.002 1.00 -1554615.00
ARG57 HG2 1.00 0.005 1.00 -1518405.00
ARG57 HG3 1.00 0.031 0.90 0.00
ARG57 H 1.00 0.002 1.00 -21018308.00
ARG57 HD2 0.87 0.008 1.00 -761685.00
ILE58 H 1.00 0.002 1.00 -2502456.00
ILE58 HA 0.93 0.014 1.00 -197457.00
ILE58 HG13 0.55 0.019 1.00 -342256.00

Detailed Probabilities of ARG(57)-HA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.50 1.00
ARG57 0.86 1.00
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57HD2 0.98
R57H 1.00
R57HA 1.00
I58H 1.00
I58HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.103 0.00 0.00
PHE56 H 0.90 0.020 1.00 -165719.00
ARG57 HA 1.00 0.010 1.00 12.88
ARG57 HB2 1.00 1.005 0.00 0.00
ARG57 HB3 1.00 0.006 1.00 0.70
ARG57 HG2 1.00 0.003 1.00 0.85
ARG57 HG3 1.00 0.008 1.00 0.59
ARG57 HD2 0.98 0.005 1.00 0.48
ARG57 H 1.00 0.007 1.00 -1803657.00
ILE58 HA 1.00 0.009 1.00 0.09
ILE58 H 1.00 0.006 1.00 -573961.00
ILE58 HG12 0.51 0.003 1.00 0.85

Detailed Probabilities of ARG(57)-HB2:

Overall probability: 0.538
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 0.47 0.88
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57HD2 1.00
R57H 1.00
R57HE 1.00
R57HB2 1.00
I58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.156 0.00 0.00
ARG57 HB2 1.00 0.176 0.00 0.00
ARG57 HB3 1.00 0.011 1.00 3.56
ARG57 HG2 1.00 0.037 0.30 0.00
ARG57 HG3 1.00 0.072 0.00 0.00
ARG57 HD2 1.00 0.030 1.00 0.00
ARG57 H 1.00 0.015 1.00 -3161249.00
ILE58 H 1.00 0.020 1.00 -502973.00

Detailed Probabilities of ARG(57)-HB3:

Overall probability: 0.625
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 0.71 0.88
ILE58 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HG2 1.00
R57HG3 1.00
R57HD2 1.00
R57H 1.00
R57HE 1.00
R57HB3 1.00
I58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.003 1.00 1.19
ARG57 HB2 1.00 0.329 0.00 0.00
ARG57 HB3 1.00 0.010 1.00 28.37
ARG57 HG2 1.00 0.005 1.00 1.36
ARG57 HG3 1.00 0.054 0.00 0.00
ARG57 HD2 1.00 0.016 1.00 1.32
ARG57 H 1.00 0.002 1.00 -1554615.00
ILE58 H 1.00 0.070 0.00 0.00

Detailed Probabilities of ARG(57)-HG2:

Overall probability: 1.000
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 1.00 0.78
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG3 1.00
R57HD2 1.00
R57H 1.00
R57HE 1.00
R57HH11 1.00
R57HG2 1.00
I58H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.009 1.00 1.09
ARG57 HB2 1.00 0.009 1.00 0.98
ARG57 HB3 1.00 0.007 1.00 1.04
ARG57 HG2 1.00 0.003 1.00 27.01
ARG57 HG3 1.00 0.027 1.00 3.12
ARG57 HD2 1.00 0.002 1.00 1.77
ARG57 H 1.00 0.005 1.00 -1518405.00
ILE58 H 0.97 0.008 1.00 -1758592.00

Detailed Probabilities of ARG(57)-HG3:

Overall probability: 0.550
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 0.49 0.78
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HD2 1.00
R57H 1.00
R57HE 1.00
R57HH11 1.00
R57HG3 1.00
I58H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.110 0.00 0.00
ARG57 HB2 1.00 0.222 0.00 0.00
ARG57 HB3 1.00 0.035 0.50 0.00
ARG57 HG2 1.00 0.009 1.00 5.96
ARG57 HG3 1.00 0.053 0.00 0.00
ARG57 HD2 1.00 0.016 1.00 2.31
ARG57 H 1.00 0.031 0.90 0.00
ILE58 H 0.96 0.026 1.00 -502973.00

Detailed Probabilities of ARG(57)-HD2:

Overall probability: 1.000
Overall confidence: 0.667

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 1.00 0.67

Expected NOESY Contacts
Proton Expected probability
R57HA 0.98
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57HD3 1.00
R57HE 1.00
R57HH11 1.00
R57HH21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 0.97 0.001 1.00 0.43
ARG57 HB2 1.00 0.002 1.00 0.44
ARG57 HB3 1.00 0.005 1.00 0.46
ARG57 HG2 1.00 0.001 1.00 1.23
ARG57 HG3 1.00 0.002 1.00 1.17
ARG57 HD2 1.00 0.014 1.00 52.97
ARG57 H 0.86 0.008 1.00 -761685.00

Detailed Probabilities of ARG(57)-H:

Overall probability: 0.938
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.80 1.00
ARG57 1.00 1.00
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HB2 1.00
F56H 1.00
F56HA 1.00
F56HB3 1.00
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG2 1.00
R57HG3 1.00
R57H 1.00
I58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.031 0.90 0.00
PHE56 HB2 1.00 0.034 0.60 0.00
PHE56 HB3 1.00 0.033 0.70 0.00
PHE56 H 1.00 0.016 1.00 -2021385.00
ARG57 HA 1.00 0.003 1.00 0.72
ARG57 HB2 1.00 0.001 1.00 0.56
ARG57 HB3 1.00 0.002 1.00 0.51
ARG57 HG2 1.00 0.000 1.00 0.61
ARG57 HG3 1.00 0.005 1.00 0.65
ARG57 H 1.00 0.002 1.00 -21018308.00
ARG57 HD2 0.87 0.019 1.00 0.62
ILE58 H 1.00 0.002 1.00 -2091708.00
ILE58 HA 0.93 0.004 1.00 0.07