ARECA's report on ASP81

Residue probability: 0.873
Residue probability confidence: 0.893

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.227 176.463 2.348 0.000 0.000
CA 53.559 54.786 4.266 0.750 0.875
CB 42.676 40.949 3.070 1.000 0.833
N 126.651 120.550 5.690 1.000 1.000
HD2 NA -- -- 0.000 0.000
HA 4.567 4.587 0.329 0.814 0.875
HB2 2.833 2.708 0.282 0.833 0.833
HB3 2.704 2.654 0.285 0.800 0.833
H 8.479 8.304 1.027 0.917 1.000

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Detailed Probabilities of ASP(81)-CA:

Overall probability: 0.750
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.50 1.00
ASP81 0.75 0.80
TRP82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
D81HD2 1.00
D81HB2 1.00
D81HB3 1.00
D81H 1.00
D81HA 1.00
W82H 1.00
W82HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.287 0.00 0.00
LEU80 H 0.90 0.020 1.00 0.12
ASP81 HA 1.00 0.005 1.00 6.40
ASP81 HB2 1.00 0.003 1.00 0.75
ASP81 HB3 1.00 0.009 1.00 1.07
ASP81 H 1.00 0.113 0.00 0.00
TRP82 HA 1.00 0.025 1.00 6.40
TRP82 H 1.00 0.005 1.00 1.03

Detailed Probabilities of ASP(81)-CB:

Overall probability: 1.000
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 1.00 0.80
TRP82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D81HD2 1.00
D81HA 1.00
D81HB2 1.00
D81H 1.00
D81HB3 1.00
W82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.004 1.00 0.60
ASP81 HB2 1.00 0.000 1.00 3.53
ASP81 HB3 1.00 0.001 1.00 3.88
ASP81 H 1.00 0.004 1.00 0.85
TRP82 H 1.00 0.003 1.00 0.08
TRP82 HA 0.86 0.026 1.00 0.60

Detailed Probabilities of ASP(81)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00
ASP81 1.00 1.00
TRP82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80H 1.00
L80HB2 1.00
L80HB3 1.00
L80HA 1.00
L80HG 0.97
D81HA 1.00
D81HB2 1.00
D81HB3 1.00
D81H 1.00
W82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.004 1.00 -4759384.00
LEU80 HB2 1.00 0.002 1.00 -399434.00
LEU80 HB3 1.00 0.003 1.00 -586175.00
LEU80 HG 0.97 0.006 1.00 -290039.00
LEU80 H 1.00 0.002 1.00 -356427.00
LEU80 HD11 0.54 0.021 1.00 -631482.00
ASP81 HA 1.00 0.004 1.00 -861915.00
ASP81 HB2 1.00 0.002 1.00 -2082316.00
ASP81 HB3 1.00 0.001 1.00 -2072140.00
ASP81 H 1.00 0.003 1.00 -10551273.00
TRP82 H 1.00 0.006 1.00 -105645.00
TRP82 HA 0.90 0.026 1.00 -861915.00

Detailed Probabilities of ASP(81)-HA:

Overall probability: 0.814
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.00 1.00
ASP81 1.00 0.80
TRP82 0.85 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
D81HD2 1.00
D81HB2 1.00
D81HB3 1.00
D81H 1.00
D81HA 1.00
W82H 1.00
W82HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.214 0.00 0.00
ASP81 HA 1.00 0.005 1.00 6.40
ASP81 HB2 1.00 0.003 1.00 0.44
ASP81 HB3 1.00 0.004 1.00 0.60
ASP81 H 1.00 0.004 1.00 -861915.00
TRP82 HA 1.00 0.033 0.70 0.00
TRP82 H 1.00 0.008 1.00 -1801510.00

Detailed Probabilities of ASP(81)-HB2:

Overall probability: 0.833
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 0.75 0.80
TRP82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D81HD2 1.00
D81HA 1.00
D81HB3 1.00
D81H 1.00
D81HB2 1.00
W82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.003 1.00 0.75
ASP81 HB2 1.00 0.898 0.00 0.00
ASP81 HB3 1.00 0.000 1.00 3.53
ASP81 H 1.00 0.002 1.00 -2082316.00
TRP82 H 1.00 0.003 1.00 -149287.00
TRP82 HA 0.61 0.022 1.00 0.06

Detailed Probabilities of ASP(81)-HB3:

Overall probability: 0.800
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 0.75 0.80
TRP82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D81HD2 1.00
D81HA 1.00
D81HB2 1.00
D81H 1.00
D81HB3 1.00
W82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.009 1.00 1.07
ASP81 HB2 1.00 0.769 0.00 0.00
ASP81 HB3 1.00 0.001 1.00 3.88
ASP81 H 1.00 0.001 1.00 -2072140.00
TRP82 H 1.00 0.007 1.00 -209973.00

Detailed Probabilities of ASP(81)-H:

Overall probability: 0.917
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00
ASP81 0.75 1.00
TRP82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80H 1.00
L80HB2 1.00
L80HB3 1.00
L80HA 1.00
L80HG 0.97
D81HA 1.00
D81HB2 1.00
D81HB3 1.00
D81H 1.00
W82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.003 1.00 1.91
LEU80 HB2 1.00 0.005 1.00 0.20
LEU80 HB3 1.00 0.003 1.00 0.27
LEU80 HG 0.97 0.008 1.00 0.13
LEU80 H 1.00 0.007 1.00 -379272.00
LEU80 HD11 0.54 0.004 1.00 0.31
LEU80 HD21 0.58 0.003 1.00 0.42
ASP81 HA 1.00 0.113 0.00 0.00
ASP81 HB2 1.00 0.004 1.00 0.77
ASP81 HB3 1.00 0.004 1.00 0.85
ASP81 H 1.00 0.003 1.00 -10551273.00
TRP82 H 1.00 0.006 1.00 -109396.00