ARECA's report on ALA45

Residue probability: 0.957
Residue probability confidence: 0.952

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
CA 52.958 53.289 3.425 0.886 1.000
CB 18.752 19.355 4.103 1.000 1.000
N 118.829 123.100 4.487 1.000 0.857
HA 4.466 4.254 0.459 0.857 1.000
HB 1.745 1.346 0.258 1.000 1.000
H 7.737 8.206 0.601 1.000 0.857

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Detailed Probabilities of ALA(45)-CA:

Overall probability: 0.886
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA44 0.60 1.00
ALA45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A44HA 1.00
A45H 1.00
A45HB1 1.00
A45HA 1.00
A46H 1.00
A46HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA44 HA 1.00 0.038 0.20 0.00
ALA44 HB1 0.67 0.001 1.00 0.20
ALA45 HA 1.00 0.002 1.00 12.48
ALA45 HB1 1.00 0.005 1.00 2.99
ALA45 H 1.00 0.007 1.00 0.71
ALA46 HA 1.00 0.013 1.00 0.07
ALA46 H 1.00 0.001 1.00 0.38

Detailed Probabilities of ALA(45)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A45HA 1.00
A45H 1.00
A45HB2 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA45 HA 1.00 0.000 1.00 2.43
ALA45 HB1 1.00 0.005 1.00 46.48
ALA45 H 1.00 0.004 1.00 1.75
ALA46 H 1.00 0.002 1.00 0.54
ALA46 HA 0.70 0.006 1.00 0.16

Detailed Probabilities of ALA(45)-N:

Overall probability: 1.000
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA44 1.00 0.67
ALA45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A44HB2 1.00
A44H 1.00
A44HA 1.00
A45HA 1.00
A45HB1 1.00
A45H 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA44 HA 1.00 0.003 1.00 -542499.00
ALA44 HB1 1.00 0.005 1.00 -2035050.00
ALA45 HA 1.00 0.001 1.00 -1692257.00
ALA45 HB1 1.00 0.006 1.00 -4747742.00
ALA45 H 1.00 0.005 1.00 -17988808.00
ALA46 H 1.00 0.006 1.00 -1809153.00

Detailed Probabilities of ALA(45)-HA:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA44 1.00 1.00
ALA45 1.00 1.00
ALA46 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
A44HA 1.00
A45H 1.00
A45HB1 1.00
A45HA 1.00
A46H 1.00
A46HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA44 HA 1.00 0.016 1.00 0.06
ALA44 HB1 0.67 0.012 1.00 0.41
ALA45 HA 1.00 0.002 1.00 12.48
ALA45 HB1 1.00 0.000 1.00 2.43
ALA45 H 1.00 0.001 1.00 -1692257.00
ALA46 HA 1.00 0.267 0.00 0.00
ALA46 H 1.00 0.002 1.00 -672903.00

Detailed Probabilities of ALA(45)-HB1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A45HA 1.00
A45H 1.00
A45HB2 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA45 HA 1.00 0.005 1.00 2.99
ALA45 HB1 1.00 0.005 1.00 46.48
ALA45 H 1.00 0.006 1.00 -4747742.00
ALA46 H 1.00 0.006 1.00 -1326677.00
ALA46 HA 0.70 0.007 1.00 0.15

Detailed Probabilities of ALA(45)-H:

Overall probability: 1.000
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA44 1.00 0.67
ALA45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A44HB2 1.00
A44H 1.00
A44HA 1.00
A45HA 1.00
A45HB1 1.00
A45H 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA44 HA 1.00 0.003 1.00 0.27
ALA44 HB1 1.00 0.002 1.00 0.98
ALA45 HA 1.00 0.007 1.00 0.71
ALA45 HB1 1.00 0.004 1.00 1.75
ALA45 H 1.00 0.005 1.00 -17988808.00
ALA46 H 1.00 0.027 1.00 -1845334.00
ALA46 HA 0.88 0.019 1.00 0.16
ALA46 HB1 0.52 0.009 1.00 0.26