ARECA's report on ASP95

Residue probability: 0.774
Residue probability confidence: 0.893

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.903 176.463 2.348 0.000 0.000
CA 57.053 54.786 4.266 0.714 0.875
CB 40.075 40.949 3.070 0.833 0.833
N 120.052 120.550 5.690 0.909 1.000
HD2 NA -- -- 0.000 0.000
HA 4.412 4.587 0.329 0.650 0.875
HB2 2.861 2.708 0.282 1.000 0.833
HB3 2.659 2.654 0.285 1.000 0.833
H 8.701 8.304 1.027 0.313 1.000

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Detailed Probabilities of ASP(95)-CA:

Overall probability: 0.714
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 1.00 1.00
ASP95 0.75 0.80
PHE96 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
D95HD2 1.00
D95HB2 1.00
D95HB3 1.00
D95H 1.00
D95HA 1.00
F96HA 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.017 1.00 0.26
ASP95 HA 1.00 0.150 0.00 0.00
ASP95 HB2 1.00 0.004 1.00 1.06
ASP95 HB3 1.00 0.008 1.00 1.25
ASP95 H 1.00 0.000 1.00 0.72
PHE96 HA 1.00 0.078 0.00 0.00
PHE96 H 1.00 0.002 1.00 0.26

Detailed Probabilities of ASP(95)-CB:

Overall probability: 0.833
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 0.75 0.80
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D95HD2 1.00
D95HA 1.00
D95HB3 1.00
D95H 1.00
D95HB2 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.000 1.00 0.92
ASP95 HB2 1.00 0.002 1.00 5.06
ASP95 HB3 1.00 0.007 1.00 5.29
ASP95 H 1.00 0.088 0.00 0.00
PHE96 H 1.00 0.004 1.00 0.38
PHE96 HA 0.51 0.021 1.00 0.08

Detailed Probabilities of ASP(95)-N:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.83 1.00
ASP95 1.00 1.00
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M94H 1.00
M94HG2 0.97
M94HB3 1.00
M94HB2 1.00
M94HA 1.00
D95HA 1.00
D95HB2 1.00
D95HB3 1.00
D95H 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.004 1.00 -393660.00
MET94 HB2 1.00 0.005 1.00 -862560.00
MET94 HB3 1.00 0.006 1.00 -739757.00
MET94 HG2 0.97 0.003 1.00 -146235.00
MET94 H 1.00 0.069 0.00 0.00
MET94 HG3 0.95 0.010 1.00 -1385790.00
ASP95 HA 1.00 0.001 1.00 -1238841.00
ASP95 HB2 1.00 0.004 1.00 -2313457.00
ASP95 HB3 1.00 0.003 1.00 -1385790.00
ASP95 H 1.00 0.000 1.00 -13223265.00
PHE96 H 1.00 0.004 1.00 -1273724.00

Detailed Probabilities of ASP(95)-HA:

Overall probability: 0.650
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.87 1.00
ASP95 0.50 0.80
PHE96 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
D95HD2 1.00
D95HB2 1.00
D95HB3 1.00
D95H 1.00
D95HA 1.00
F96HA 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.035 0.50 0.00
MET94 HB2 0.69 0.007 1.00 1.00
MET94 HB3 0.79 0.003 1.00 0.09
MET94 H 0.85 0.004 1.00 -100714.00
ASP95 HA 1.00 0.150 0.00 0.00
ASP95 HB2 1.00 0.000 1.00 0.92
ASP95 HB3 1.00 0.389 0.00 0.00
ASP95 H 1.00 0.001 1.00 -1238841.00
PHE96 HA 1.00 0.208 0.00 0.00
PHE96 H 1.00 0.005 1.00 -292371.00

Detailed Probabilities of ASP(95)-HB2:

Overall probability: 1.000
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 1.00 0.80
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D95HD2 1.00
D95HA 1.00
D95HB3 1.00
D95H 1.00
D95HB2 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.004 1.00 1.06
ASP95 HB2 1.00 0.002 1.00 5.06
ASP95 HB3 1.00 0.003 1.00 5.64
ASP95 H 1.00 0.004 1.00 -2313457.00
PHE96 H 1.00 0.003 1.00 -776238.00

Detailed Probabilities of ASP(95)-HB3:

Overall probability: 1.000
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 1.00 0.80
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D95HD2 1.00
D95HA 1.00
D95HB2 1.00
D95H 1.00
D95HB3 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.008 1.00 1.25
ASP95 HB2 1.00 0.007 1.00 5.29
ASP95 HB3 1.00 0.001 1.00 11.11
ASP95 H 1.00 0.003 1.00 -1385790.00
PHE96 H 1.00 0.003 1.00 -607798.00
PHE96 HA 0.83 0.006 1.00 0.09

Detailed Probabilities of ASP(95)-H:

Overall probability: 0.313
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.03 1.00
ASP95 0.50 1.00
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M94H 1.00
M94HG2 0.97
M94HB3 1.00
M94HB2 1.00
M94HA 1.00
D95HA 1.00
D95HB2 1.00
D95HB3 1.00
D95H 1.00
F96H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.063 0.00 0.00
MET94 HB2 1.00 0.039 0.10 0.00
MET94 HB3 1.00 0.057 0.00 0.00
MET94 HG2 0.97 0.061 0.03 0.00
MET94 H 1.00 0.064 0.00 0.00
ASP95 HA 1.00 0.000 1.00 0.72
ASP95 HB2 1.00 0.088 0.00 0.00
ASP95 HB3 1.00 0.131 0.00 0.00
ASP95 H 1.00 0.000 1.00 -13223265.00
PHE96 H 1.00 0.004 1.00 -1016419.00