ARECA's report on ALA98

Residue probability: 0.824
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
CA 53.463 53.289 3.425 0.857 1.000
CB 18.168 19.355 4.103 1.000 1.000
N 121.061 123.100 4.487 0.625 1.000
HA 4.247 4.254 0.459 0.713 1.000
HB 1.469 1.346 0.258 1.000 1.000
H 7.869 8.206 0.601 0.750 1.000

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Detailed Probabilities of ALA(98)-CA:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE97 1.00 1.00
ALA98 1.00 1.00
SER99 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F97HA 1.00
A98H 1.00
A98HB1 1.00
A98HA 1.00
S99HA 1.00
S99H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE97 HA 1.00 0.010 1.00 0.15
PHE97 H 0.84 0.007 1.00 0.06
ALA98 HA 1.00 0.002 1.00 13.33
ALA98 HB1 1.00 0.000 1.00 3.37
ALA98 H 1.00 0.000 1.00 0.77
SER99 HA 1.00 0.104 0.00 0.00
SER99 H 1.00 0.001 1.00 0.24

Detailed Probabilities of ALA(98)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA98 1.00 1.00
SER99 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A98HA 1.00
A98H 1.00
A98HB2 1.00
S99H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA98 HA 1.00 0.002 1.00 3.34
ALA98 HB1 1.00 0.000 1.00 64.31
ALA98 H 1.00 0.001 1.00 2.36
SER99 H 1.00 0.002 1.00 0.57
SER99 HA 0.70 0.010 1.00 0.38

Detailed Probabilities of ALA(98)-N:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE97 0.75 1.00
ALA98 0.67 1.00
SER99 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
F97HB3 1.00
F97HB2 1.00
F97H 1.00
F97HA 1.00
A98HA 1.00
A98HB1 1.00
A98H 1.00
S99H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE97 HA 1.00 0.224 0.00 0.00
PHE97 HB2 1.00 0.006 1.00 -477023.00
PHE97 HB3 1.00 0.005 1.00 -358842.00
PHE97 H 1.00 0.005 1.00 -1274320.00
ALA98 HA 1.00 0.002 1.00 -1612471.00
ALA98 HB1 1.00 0.001 1.00 -4446864.00
ALA98 H 1.00 0.103 0.00 0.00
SER99 H 1.00 0.341 0.00 0.00

Detailed Probabilities of ALA(98)-HA:

Overall probability: 0.713
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE97 0.60 1.00
ALA98 1.00 1.00
SER99 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F97HA 1.00
A98H 1.00
A98HB1 1.00
A98HA 1.00
S99HA 1.00
S99H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE97 HA 1.00 0.043 0.00 0.00
PHE97 HB2 0.61 0.034 0.61 0.00
PHE97 HB3 0.78 0.032 0.80 0.00
PHE97 H 0.84 0.030 1.00 0.00
ALA98 HA 1.00 0.002 1.00 13.33
ALA98 HB1 1.00 0.002 1.00 3.34
ALA98 H 1.00 0.002 1.00 -1612471.00
SER99 HA 1.00 0.075 0.00 0.00
SER99 H 1.00 0.003 1.00 -649755.00

Detailed Probabilities of ALA(98)-HB1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA98 1.00 1.00
SER99 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A98HA 1.00
A98H 1.00
A98HB2 1.00
S99H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA98 HA 1.00 0.000 1.00 3.37
ALA98 HB1 1.00 0.000 1.00 64.31
ALA98 H 1.00 0.001 1.00 -4446864.00
SER99 H 1.00 0.002 1.00 -1884341.00
SER99 HA 0.70 0.001 1.00 0.73

Detailed Probabilities of ALA(98)-H:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE97 0.75 1.00
ALA98 0.67 1.00
SER99 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F97HB3 1.00
F97HB2 1.00
F97H 1.00
F97HA 1.00
A98HA 1.00
A98HB1 1.00
A98H 1.00
S99H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE97 HA 1.00 0.002 1.00 0.17
PHE97 HB2 1.00 0.002 1.00 0.13
PHE97 HB3 1.00 0.079 0.00 0.00
PHE97 H 1.00 0.001 1.00 -1044861.00
ALA98 HA 1.00 0.000 1.00 0.77
ALA98 HB1 1.00 0.001 1.00 2.36
ALA98 H 1.00 0.103 0.00 0.00
SER99 H 1.00 0.000 1.00 -1985388.00