ARECA's report on ASP86

Residue probability: 0.574
Residue probability confidence: 0.893

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.747 176.463 2.348 0.000 0.000
CA 53.512 54.786 4.266 0.250 0.875
CB 40.957 40.949 3.070 0.600 0.833
N 120.508 120.550 5.690 0.818 1.000
HD2 NA -- -- 0.000 0.000
HA 4.685 4.587 0.329 0.778 0.875
HB2 2.927 2.708 0.282 0.600 0.833
HB3 2.566 2.654 0.285 0.600 0.833
H 8.691 8.304 1.027 0.369 1.000

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Detailed Probabilities of ASP(86)-CA:

Overall probability: 0.250
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.50 1.00
ASP86 0.25 0.80
GLU87 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
D86HD2 1.00
D86HB2 1.00
D86HB3 1.00
D86H 1.00
D86HA 1.00
E87H 1.00
E87HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.057 0.00 0.00
GLN85 HB2 0.61 0.023 1.00 0.50
ASP86 HA 1.00 0.007 1.00 10.60
ASP86 HB2 1.00 0.173 0.00 0.00
ASP86 HB3 1.00 0.370 0.00 0.00
ASP86 H 1.00 0.186 0.00 0.00
GLU87 HA 1.00 0.052 0.00 0.00
GLU87 H 1.00 0.235 0.00 0.00

Detailed Probabilities of ASP(86)-CB:

Overall probability: 0.600
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP86 0.75 0.80
GLU87 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
D86HD2 1.00
D86HA 1.00
D86HB2 1.00
D86H 1.00
D86HB3 1.00
E87H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP86 HA 1.00 0.007 1.00 0.57
ASP86 HB2 1.00 0.004 1.00 3.21
ASP86 HB3 1.00 0.357 0.00 0.00
ASP86 H 1.00 0.004 1.00 0.53
GLU87 H 1.00 0.045 0.00 0.00

Detailed Probabilities of ASP(86)-N:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.83 1.00
ASP86 1.00 1.00
GLU87 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HB3 1.00
Q85HB2 1.00
Q85H 1.00
Q85HG2 0.98
Q85HA 1.00
Q85HG3 0.96
D86HA 1.00
D86HB2 1.00
D86HB3 1.00
D86H 1.00
E87H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.012 1.00 -712495.00
GLN85 HB2 1.00 0.008 1.00 -296128.00
GLN85 HB3 1.00 0.004 1.00 -460067.00
GLN85 HG2 0.98 0.003 1.00 -238011.00
GLN85 HG3 0.96 0.005 1.00 -238011.00
GLN85 H 1.00 0.074 0.00 0.00
ASP86 HA 1.00 0.009 1.00 -652254.00
ASP86 HB2 1.00 0.002 1.00 -894345.00
ASP86 HB3 1.00 0.003 1.00 -1028586.00
ASP86 H 1.00 0.000 1.00 -6795614.00
GLU87 H 1.00 0.049 0.00 0.00

Detailed Probabilities of ASP(86)-HA:

Overall probability: 0.778
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.67 1.00
ASP86 0.75 0.80
GLU87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
D86HD2 1.00
D86HB2 1.00
D86HB3 1.00
D86H 1.00
D86HA 1.00
E87H 1.00
E87HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.074 0.00 0.00
GLN85 HB3 0.79 0.005 1.00 0.45
GLN85 H 0.86 0.001 1.00 -73717.00
ASP86 HA 1.00 0.007 1.00 10.60
ASP86 HB2 1.00 1.540 0.00 0.00
ASP86 HB3 1.00 0.007 1.00 0.57
ASP86 H 1.00 0.009 1.00 -652254.00
GLU87 HA 1.00 0.029 1.00 0.08
GLU87 H 1.00 0.005 1.00 -2166166.00

Detailed Probabilities of ASP(86)-HB2:

Overall probability: 0.600
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP86 0.50 0.80
GLU87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D86HD2 1.00
D86HA 1.00
D86HB3 1.00
D86H 1.00
D86HB2 1.00
E87H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP86 HA 1.00 0.173 0.00 0.00
ASP86 HB2 1.00 0.218 0.00 0.00
ASP86 HB3 1.00 0.004 1.00 3.21
ASP86 H 1.00 0.002 1.00 -894345.00
GLU87 H 1.00 0.009 1.00 -235689.00

Detailed Probabilities of ASP(86)-HB3:

Overall probability: 0.600
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP86 0.50 0.80
GLU87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D86HD2 1.00
D86HA 1.00
D86HB2 1.00
D86H 1.00
D86HB3 1.00
E87H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP86 HA 1.00 0.370 0.00 0.00
ASP86 HB2 1.00 0.000 1.00 3.11
ASP86 HB3 1.00 0.357 0.00 0.00
ASP86 H 1.00 0.003 1.00 -1028586.00
GLU87 H 1.00 0.003 1.00 -254622.00

Detailed Probabilities of ASP(86)-H:

Overall probability: 0.369
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.18 1.00
ASP86 0.75 1.00
GLU87 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HB3 1.00
Q85HB2 1.00
Q85H 1.00
Q85HG2 0.98
Q85HA 1.00
Q85HG3 0.96
D86HA 1.00
D86HB2 1.00
D86HB3 1.00
D86H 1.00
E87H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.061 0.00 0.00
GLN85 HB2 1.00 0.023 1.00 0.79
GLN85 HB3 1.00 0.595 0.00 0.00
GLN85 HG2 0.98 0.063 0.02 0.00
GLN85 HG3 0.96 0.063 0.04 0.00
GLN85 H 1.00 0.069 0.00 0.00
ASP86 HA 1.00 0.186 0.00 0.00
ASP86 HB2 1.00 0.008 1.00 0.52
ASP86 HB3 1.00 0.004 1.00 0.53
ASP86 H 1.00 0.000 1.00 -6795614.00
GLU87 H 1.00 0.043 0.00 0.00