ARECA's report on TRP82

Residue probability: 0.823
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.215 176.178 2.019 0.000 0.000
CA 60.626 57.713 2.717 0.736 1.000
CB 30.438 30.144 3.081 0.778 1.000
CD1 127.686 126.068 7.070 0.875 1.000
CE3 120.380 120.123 5.387 0.556 1.000
CZ2 115.636 114.015 4.831 1.000 1.000
CZ3 120.286 121.013 5.400 0.500 1.000
CH2 124.501 123.568 4.896 0.800 1.000
N 126.943 121.531 4.451 1.000 1.000
NE1 127.196 129.267 3.325 1.000 1.000
HA 4.597 4.675 0.550 0.985 1.000
HB2 3.343 3.173 0.355 0.889 1.000
HB3 3.195 3.093 0.388 1.000 1.000
HD1 7.534 7.154 2.084 0.750 1.000
HE3 7.658 7.268 0.457 0.889 1.000
HZ2 7.353 7.261 0.347 0.667 1.000
HZ3 6.829 6.836 0.396 0.750 1.000
HH2 7.191 6.945 0.376 1.000 1.000
H 9.372 8.314 1.088 0.970 1.000
HE1 9.809 10.060 0.770 0.500 1.000

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Detailed Probabilities of TRP(82)-CA:

Overall probability: 0.736
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 0.85 1.00
TRP82 0.81 1.00
ASN83 0.35 1.00

Expected NOESY Contacts
Proton Expected probability
D81HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HD1 1.00
W82HE3 1.00
W82H 1.00
W82HA 1.00
N83H 1.00
N83HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.033 0.70 0.00
ASP81 HB2 0.61 0.022 1.00 0.06
TRP82 HA 1.00 0.003 1.00 5.11
TRP82 HB2 1.00 0.008 1.00 0.30
TRP82 HB3 1.00 0.007 1.00 0.55
TRP82 HD1 1.00 0.087 0.00 0.00
TRP82 HE3 1.00 0.003 1.00 1.02
TRP82 H 1.00 0.033 0.70 0.00
TRP82 HE1 0.60 0.023 1.00 0.16
ASN83 HA 1.00 0.033 0.70 0.00
ASN83 H 1.00 0.171 0.00 0.00

Detailed Probabilities of TRP(82)-CB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.86 1.00
ASN83 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB3 1.00
W82HD1 1.00
W82HE3 1.00
W82H 1.00
W82HE1 1.00
W82HB2 1.00
N83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.006 1.00 0.32
TRP82 HB2 1.00 0.001 1.00 1.33
TRP82 HB3 1.00 0.003 1.00 1.32
TRP82 HD1 1.00 0.001 1.00 0.28
TRP82 HE3 1.00 0.003 1.00 0.14
TRP82 H 1.00 0.002 1.00 0.18
TRP82 HE1 1.00 0.439 0.00 0.00
ASN83 H 1.00 0.291 0.00 0.00
ASN83 HA 0.63 0.024 1.00 0.32

Detailed Probabilities of TRP(82)-CD1:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.88 1.00

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HE3 1.00
W82HZ2 1.00
W82H 0.99
W82HE1 1.00
W82HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.000 1.00 0.26
TRP82 HB2 1.00 0.001 1.00 0.23
TRP82 HB3 1.00 0.000 1.00 0.15
TRP82 HD1 1.00 0.001 1.00 4.39
TRP82 HE3 1.00 0.122 0.00 0.00
TRP82 HZ2 1.00 0.006 1.00 0.25
TRP82 H 0.99 0.003 1.00 0.25
TRP82 HE1 1.00 0.004 1.00 0.62

Detailed Probabilities of TRP(82)-CE3:

Overall probability: 0.556
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.56 1.00

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HD1 1.00
W82HZ2 1.00
W82HZ3 1.00
W82HH2 1.00
W82HE1 1.00
W82HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.005 1.00 0.26
TRP82 HB2 1.00 0.137 0.00 0.00
TRP82 HB3 1.00 0.011 1.00 0.07
TRP82 HD1 1.00 0.100 0.00 0.00
TRP82 HE3 1.00 0.000 1.00 1.69
TRP82 HZ2 1.00 0.081 0.00 0.00
TRP82 HZ3 1.00 0.000 1.00 0.27
TRP82 HH2 1.00 0.001 1.00 0.16
TRP82 HE1 1.00 1.147 0.00 0.00

Detailed Probabilities of TRP(82)-CZ2:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
W82HD1 1.00
W82HE3 1.00
W82HZ3 1.00
W82HH2 1.00
W82HE1 1.00
W82HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HD1 1.00 0.027 1.00 0.09
TRP82 HE3 1.00 0.009 1.00 0.09
TRP82 HZ2 1.00 0.006 1.00 6.41
TRP82 HZ3 1.00 0.000 1.00 0.20
TRP82 HH2 1.00 0.001 1.00 1.56
TRP82 HE1 1.00 0.002 1.00 0.20

Detailed Probabilities of TRP(82)-CZ3:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
W82HE3 1.00
W82HZ2 1.00
W82HH2 1.00
W82HZ3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HE3 1.00 0.007 1.00 0.99
TRP82 HZ2 1.00 0.167 0.00 0.00
TRP82 HZ3 1.00 0.154 0.00 0.00
TRP82 HH2 1.00 0.005 1.00 0.20

Detailed Probabilities of TRP(82)-CH2:

Overall probability: 0.800
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
W82HE3 1.00
W82HZ2 1.00
W82HZ3 1.00
W82HE1 1.00
W82HH2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HE3 1.00 0.020 1.00 0.13
TRP82 HZ2 1.00 0.003 1.00 0.41
TRP82 HZ3 1.00 0.002 1.00 1.18
TRP82 HH2 1.00 0.004 1.00 6.58
TRP82 HE1 1.00 0.334 0.00 0.00

Detailed Probabilities of TRP(82)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 1.00 1.00
TRP82 1.00 1.00
ASN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D81H 1.00
D81HB2 1.00
D81HA 1.00
D81HB3 1.00
W82HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HD1 0.99
W82H 1.00
N83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.008 1.00 -1801510.00
ASP81 HB2 1.00 0.003 1.00 -149287.00
ASP81 HB3 1.00 0.007 1.00 -209973.00
ASP81 H 1.00 0.006 1.00 -109396.00
TRP82 HA 1.00 0.022 1.00 -1801510.00
TRP82 HB2 1.00 0.003 1.00 -566343.00
TRP82 HB3 1.00 0.004 1.00 -414942.00
TRP82 HD1 0.99 0.001 1.00 -242133.00
TRP82 H 1.00 0.006 1.00 -2069368.00
ASN83 H 1.00 0.002 1.00 -122598.00
ASN83 HA 0.85 0.008 1.00 -1801510.00

Detailed Probabilities of TRP(82)-NE1:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
W82HB2 1.00
W82HB3 1.00
W82HD1 1.00
W82HE3 1.00
W82HZ2 1.00
W82HH2 1.00
W82HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HB2 1.00 0.000 1.00 -96717.00
TRP82 HB3 1.00 0.010 1.00 -140471.00
TRP82 HD1 1.00 0.000 1.00 -2179132.00
TRP82 HE3 1.00 0.011 1.00 -95024.00
TRP82 HZ2 1.00 0.008 1.00 -871290.00
TRP82 HH2 1.00 0.000 1.00 -146404.00
TRP82 HE1 1.00 0.003 1.00 -10815338.00
TRP82 HA 0.60 0.017 1.00 -143085.00

Detailed Probabilities of TRP(82)-HA:

Overall probability: 0.985
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 1.00 1.00
TRP82 1.00 1.00
ASN83 0.90 1.00

Expected NOESY Contacts
Proton Expected probability
D81HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HD1 1.00
W82HE3 1.00
W82H 1.00
W82HA 1.00
N83H 1.00
N83HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.025 1.00 6.40
ASP81 HB2 0.61 0.027 1.00 0.44
ASP81 HB3 0.86 0.026 1.00 0.60
ASP81 H 0.90 0.026 1.00 -861915.00
TRP82 HA 1.00 0.003 1.00 5.11
TRP82 HB2 1.00 0.006 1.00 0.32
TRP82 HB3 1.00 0.001 1.00 0.40
TRP82 HD1 1.00 0.000 1.00 0.26
TRP82 HE3 1.00 0.005 1.00 0.26
TRP82 H 1.00 0.022 1.00 -1801510.00
TRP82 HE1 0.60 0.017 1.00 -143085.00
ASN83 HA 1.00 0.025 1.00 51.32
ASN83 H 1.00 0.032 0.80 0.00

Detailed Probabilities of TRP(82)-HB2:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.86 1.00
ASN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB3 1.00
W82HD1 1.00
W82HE3 1.00
W82H 1.00
W82HE1 1.00
W82HB2 1.00
N83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.008 1.00 0.30
TRP82 HB2 1.00 0.001 1.00 1.33
TRP82 HB3 1.00 0.000 1.00 1.27
TRP82 HD1 1.00 0.001 1.00 0.23
TRP82 HE3 1.00 0.137 0.00 0.00
TRP82 H 1.00 0.003 1.00 -566343.00
TRP82 HE1 1.00 0.000 1.00 -96717.00
ASN83 H 1.00 0.001 1.00 -141336.00
ASN83 HA 0.63 0.004 1.00 0.06

Detailed Probabilities of TRP(82)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 1.00 1.00
ASN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB2 1.00
W82HD1 1.00
W82HE3 1.00
W82H 1.00
W82HE1 1.00
W82HB3 1.00
N83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.007 1.00 0.55
TRP82 HB2 1.00 0.003 1.00 1.32
TRP82 HB3 1.00 0.003 1.00 1.53
TRP82 HD1 1.00 0.000 1.00 0.15
TRP82 HE3 1.00 0.011 1.00 0.07
TRP82 H 1.00 0.004 1.00 -414942.00
TRP82 HE1 1.00 0.010 1.00 -140471.00
ASN83 H 1.00 0.005 1.00 -96149.00
ASN83 HA 0.81 0.025 1.00 0.14

Detailed Probabilities of TRP(82)-HD1:

Overall probability: 0.750
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HE3 1.00
W82HZ2 1.00
W82H 0.99
W82HE1 1.00
W82HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.087 0.00 0.00
TRP82 HB2 1.00 0.001 1.00 0.28
TRP82 HB3 1.00 0.002 1.00 0.20
TRP82 HD1 1.00 0.001 1.00 4.39
TRP82 HE3 1.00 0.100 0.00 0.00
TRP82 HZ2 1.00 0.027 1.00 0.09
TRP82 H 0.99 0.001 1.00 -242133.00
TRP82 HE1 1.00 0.000 1.00 -2179132.00

Detailed Probabilities of TRP(82)-HE3:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.89 1.00

Expected NOESY Contacts
Proton Expected probability
W82HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HD1 1.00
W82HZ2 1.00
W82HZ3 1.00
W82HH2 1.00
W82HE1 1.00
W82HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HA 1.00 0.003 1.00 1.02
TRP82 HB2 1.00 0.003 1.00 0.14
TRP82 HB3 1.00 0.002 1.00 0.15
TRP82 HD1 1.00 0.122 0.00 0.00
TRP82 HE3 1.00 0.000 1.00 1.69
TRP82 HZ2 1.00 0.009 1.00 0.09
TRP82 HZ3 1.00 0.007 1.00 0.99
TRP82 HH2 1.00 0.020 1.00 0.13
TRP82 HE1 1.00 0.011 1.00 -95024.00

Detailed Probabilities of TRP(82)-HZ2:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
W82HD1 1.00
W82HE3 1.00
W82HZ3 1.00
W82HH2 1.00
W82HE1 1.00
W82HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HD1 1.00 0.006 1.00 0.25
TRP82 HE3 1.00 0.081 0.00 0.00
TRP82 HZ2 1.00 0.006 1.00 6.41
TRP82 HZ3 1.00 0.167 0.00 0.00
TRP82 HH2 1.00 0.003 1.00 0.41
TRP82 HE1 1.00 0.008 1.00 -871290.00

Detailed Probabilities of TRP(82)-HZ3:

Overall probability: 0.750
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
W82HE3 1.00
W82HZ2 1.00
W82HH2 1.00
W82HZ3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HE3 1.00 0.000 1.00 0.27
TRP82 HZ2 1.00 0.000 1.00 0.20
TRP82 HZ3 1.00 0.154 0.00 0.00
TRP82 HH2 1.00 0.002 1.00 1.18

Detailed Probabilities of TRP(82)-HH2:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
W82HE3 1.00
W82HZ2 1.00
W82HZ3 1.00
W82HE1 1.00
W82HH2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HE3 1.00 0.001 1.00 0.16
TRP82 HZ2 1.00 0.001 1.00 1.56
TRP82 HZ3 1.00 0.005 1.00 0.20
TRP82 HH2 1.00 0.004 1.00 6.58
TRP82 HE1 1.00 0.000 1.00 -146404.00

Detailed Probabilities of TRP(82)-H:

Overall probability: 0.970
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP81 1.00 1.00
TRP82 0.94 1.00
ASN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D81H 1.00
D81HB2 1.00
D81HA 1.00
D81HB3 1.00
W82HA 1.00
W82HB2 1.00
W82HB3 1.00
W82HD1 0.99
W82H 1.00
N83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP81 HA 1.00 0.005 1.00 1.03
ASP81 HB2 1.00 0.016 1.00 0.06
ASP81 HB3 1.00 0.003 1.00 0.08
ASP81 H 1.00 0.006 1.00 -105645.00
TRP82 HA 1.00 0.033 0.70 0.00
TRP82 HB2 1.00 0.002 1.00 0.18
TRP82 HB3 1.00 0.003 1.00 0.15
TRP82 HD1 0.99 0.003 1.00 0.25
TRP82 H 1.00 0.006 1.00 -2069368.00
ASN83 H 1.00 0.004 1.00 -128089.00

Detailed Probabilities of TRP(82)-HE1:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TRP82 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
W82HB2 1.00
W82HB3 1.00
W82HD1 1.00
W82HE3 1.00
W82HZ2 1.00
W82HH2 1.00
W82HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TRP82 HB2 1.00 0.439 0.00 0.00
TRP82 HB3 1.00 0.440 0.00 0.00
TRP82 HD1 1.00 0.004 1.00 0.62
TRP82 HE3 1.00 1.147 0.00 0.00
TRP82 HZ2 1.00 0.002 1.00 0.20
TRP82 HH2 1.00 0.334 0.00 0.00
TRP82 HE1 1.00 0.003 1.00 -10815338.00
TRP82 HA 0.60 0.023 1.00 0.16