ARECA's report on ASP17

Residue probability: 0.925
Residue probability confidence: 0.893

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.522 176.463 2.348 0.000 0.000
CA 54.586 54.786 4.266 0.889 0.875
CB 41.132 40.949 3.070 1.000 0.833
N 122.736 120.550 5.690 0.912 1.000
HD2 NA -- -- 0.000 0.000
HA 4.617 4.587 0.329 0.875 0.875
HB2 2.680 2.708 0.282 0.800 0.833
HB3 2.504 2.654 0.285 1.000 0.833
H 8.297 8.304 1.027 1.000 1.000

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Detailed Probabilities of ASP(17)-CA:

Overall probability: 0.889
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN16 1.00 1.00
ASP17 1.00 0.80
THR18 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
Q16HA 1.00
D17HD2 1.00
D17HB2 1.00
D17HB3 1.00
D17H 1.00
D17HA 1.00
T18HA 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN16 HA 1.00 0.011 1.00 0.64
GLN16 HB2 0.61 0.018 1.00 0.23
GLN16 HB3 0.79 0.025 1.00 0.31
ASP17 HA 1.00 0.007 1.00 10.54
ASP17 HB2 1.00 0.009 1.00 0.98
ASP17 HB3 1.00 0.003 1.00 0.63
ASP17 H 1.00 0.003 1.00 0.53
THR18 HA 1.00 0.050 0.00 0.00
THR18 H 1.00 0.002 1.00 1.18

Detailed Probabilities of ASP(17)-CB:

Overall probability: 1.000
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 1.00 0.80
THR18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D17HD2 1.00
D17HA 1.00
D17HB2 1.00
D17H 1.00
D17HB3 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.006 1.00 0.63
ASP17 HB2 1.00 0.007 1.00 3.60
ASP17 HB3 1.00 0.003 1.00 4.43
ASP17 H 1.00 0.001 1.00 0.51
THR18 H 1.00 0.003 1.00 0.32
THR18 HA 0.83 0.008 1.00 0.06

Detailed Probabilities of ASP(17)-N:

Overall probability: 0.912
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN16 0.84 1.00
ASP17 1.00 1.00
THR18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q16HB3 1.00
Q16HB2 1.00
Q16H 1.00
Q16HG2 0.98
Q16HA 1.00
Q16HG3 0.96
D17HA 1.00
D17HB2 1.00
D17HB3 1.00
D17H 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN16 HA 1.00 0.006 1.00 -3432666.00
GLN16 HB2 1.00 0.003 1.00 -539830.00
GLN16 HB3 1.00 0.009 1.00 -368427.00
GLN16 HG2 0.98 0.006 1.00 -324200.00
GLN16 HG3 0.96 0.081 0.04 0.00
GLN16 H 1.00 0.019 1.00 -257706.00
ASP17 HA 1.00 0.006 1.00 -710115.00
ASP17 HB2 1.00 0.006 1.00 -711195.00
ASP17 HB3 1.00 0.003 1.00 -1320557.00
ASP17 H 1.00 0.001 1.00 -8455191.00
THR18 H 1.00 0.012 1.00 -257706.00

Detailed Probabilities of ASP(17)-HA:

Overall probability: 0.875
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN16 0.50 1.00
ASP17 1.00 0.80
THR18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q16HA 1.00
D17HD2 1.00
D17HB2 1.00
D17HB3 1.00
D17H 1.00
D17HA 1.00
T18HA 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN16 HA 1.00 0.141 0.00 0.00
GLN16 H 0.86 0.015 1.00 -116482.00
ASP17 HA 1.00 0.007 1.00 10.54
ASP17 HB2 1.00 0.003 1.00 1.43
ASP17 HB3 1.00 0.006 1.00 0.63
ASP17 H 1.00 0.006 1.00 -710115.00
THR18 HA 1.00 0.020 1.00 0.27
THR18 H 1.00 0.007 1.00 -1577892.00

Detailed Probabilities of ASP(17)-HB2:

Overall probability: 0.800
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 0.75 0.80
THR18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D17HD2 1.00
D17HA 1.00
D17HB3 1.00
D17H 1.00
D17HB2 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.009 1.00 0.98
ASP17 HB2 1.00 0.096 0.00 0.00
ASP17 HB3 1.00 0.007 1.00 3.60
ASP17 H 1.00 0.006 1.00 -711195.00
THR18 H 1.00 0.008 1.00 -691770.00

Detailed Probabilities of ASP(17)-HB3:

Overall probability: 1.000
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 1.00 0.80
THR18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D17HD2 1.00
D17HA 1.00
D17HB2 1.00
D17H 1.00
D17HB3 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.003 1.00 0.63
ASP17 HB2 1.00 0.000 1.00 4.02
ASP17 HB3 1.00 0.003 1.00 4.43
ASP17 H 1.00 0.003 1.00 -1320557.00
THR18 H 1.00 0.004 1.00 -455497.00

Detailed Probabilities of ASP(17)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN16 1.00 1.00
ASP17 1.00 1.00
THR18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q16HB3 1.00
Q16HB2 1.00
Q16H 1.00
Q16HG2 0.98
Q16HA 1.00
Q16HG3 0.96
D17HA 1.00
D17HB2 1.00
D17HB3 1.00
D17H 1.00
T18H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN16 HA 1.00 0.001 1.00 1.85
GLN16 HB2 1.00 0.003 1.00 0.19
GLN16 HB3 1.00 0.003 1.00 0.12
GLN16 HG2 0.98 0.000 1.00 0.14
GLN16 HG3 0.96 0.002 1.00 0.18
GLN16 H 1.00 0.000 1.00 -130126.00
ASP17 HA 1.00 0.003 1.00 0.53
ASP17 HB2 1.00 0.001 1.00 0.40
ASP17 HB3 1.00 0.001 1.00 0.51
ASP17 H 1.00 0.001 1.00 -8455191.00
THR18 H 1.00 0.000 1.00 -138823.00