ARECA's report on ALA46

Residue probability: 0.955
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
CA 52.906 53.289 3.425 0.875 1.000
CB 18.635 19.355 4.103 1.000 1.000
N 118.013 123.100 4.487 1.000 1.000
HA 4.057 4.254 0.459 0.857 1.000
HB 1.289 1.346 0.258 1.000 1.000
H 7.618 8.206 0.601 1.000 1.000

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Detailed Probabilities of ALA(46)-CA:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA45 0.67 1.00
ALA46 1.00 1.00
PHE47 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A45HA 1.00
A46H 1.00
A46HB1 1.00
A46HA 1.00
F47HA 1.00
F47H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA45 HA 1.00 0.267 0.00 0.00
ALA45 HB1 0.67 0.007 1.00 0.15
ALA45 H 0.88 0.019 1.00 0.16
ALA46 HA 1.00 0.000 1.00 5.75
ALA46 HB1 1.00 0.001 1.00 1.43
ALA46 H 1.00 0.004 1.00 0.49
PHE47 HA 1.00 0.011 1.00 0.12
PHE47 H 1.00 0.001 1.00 0.14

Detailed Probabilities of ALA(46)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA46 1.00 1.00
PHE47 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A46HA 1.00
A46H 1.00
A46HB2 1.00
F47H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA46 HA 1.00 0.000 1.00 1.43
ALA46 HB1 1.00 0.001 1.00 27.66
ALA46 H 1.00 0.003 1.00 1.60
PHE47 H 1.00 0.005 1.00 0.22
PHE47 HA 0.72 0.017 1.00 0.11

Detailed Probabilities of ALA(46)-N:

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
PHE47 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A45HB2 1.00
A45H 1.00
A45HA 1.00
A46HA 1.00
A46HB1 1.00
A46H 1.00
F47H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA45 HA 1.00 0.002 1.00 -672903.00
ALA45 HB1 1.00 0.006 1.00 -1326677.00
ALA45 H 1.00 0.027 1.00 -1845334.00
ALA46 HA 1.00 0.006 1.00 -1209114.00
ALA46 HB1 1.00 0.000 1.00 -4093922.00
ALA46 H 1.00 0.002 1.00 -22693856.00
PHE47 H 1.00 0.004 1.00 -1339206.00
PHE47 HA 0.90 0.007 1.00 -135776.00
PHE47 HB2 0.57 0.010 1.00 -116486.00

Detailed Probabilities of ALA(46)-HA:

Overall probability: 0.857
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
PHE47 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
A45HA 1.00
A46H 1.00
A46HB1 1.00
A46HA 1.00
F47HA 1.00
F47H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA45 HA 1.00 0.013 1.00 0.07
ALA45 HB1 0.67 0.006 1.00 0.16
ALA46 HA 1.00 0.000 1.00 5.75
ALA46 HB1 1.00 0.000 1.00 1.43
ALA46 H 1.00 0.006 1.00 -1209114.00
PHE47 HA 1.00 0.149 0.00 0.00
PHE47 H 1.00 0.010 1.00 -350186.00

Detailed Probabilities of ALA(46)-HB1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA46 1.00 1.00
PHE47 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A46HA 1.00
A46H 1.00
A46HB2 1.00
F47H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA46 HA 1.00 0.001 1.00 1.43
ALA46 HB1 1.00 0.001 1.00 27.66
ALA46 H 1.00 0.000 1.00 -4093922.00
PHE47 H 1.00 0.001 1.00 -601574.00
PHE47 HA 0.72 0.006 1.00 0.16

Detailed Probabilities of ALA(46)-H:

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
PHE47 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A45HB2 1.00
A45H 1.00
A45HA 1.00
A46HA 1.00
A46HB1 1.00
A46H 1.00
F47H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA45 HA 1.00 0.001 1.00 0.38
ALA45 HB1 1.00 0.002 1.00 0.54
ALA45 H 1.00 0.006 1.00 -1809153.00
ALA46 HA 1.00 0.004 1.00 0.49
ALA46 HB1 1.00 0.003 1.00 1.60
ALA46 H 1.00 0.002 1.00 -22693856.00
PHE47 H 1.00 0.004 1.00 -1042246.00
PHE47 HA 0.90 0.016 1.00 0.07