ARECA's report on ALA52

Residue probability: 0.941
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
CA 55.692 53.289 3.425 0.846 1.000
CB 16.298 19.355 4.103 1.000 1.000
N 120.031 123.100 4.487 0.917 1.000
HA 3.621 4.254 0.459 0.883 1.000
HB 0.495 1.346 0.258 1.000 1.000
H 7.245 8.206 0.601 1.000 1.000

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Detailed Probabilities of ALA(52)-CA:

Overall probability: 0.846
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU51 0.46 1.00
ALA52 1.00 1.00
ARG53 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L51HA 1.00
A52H 1.00
A52HB1 1.00
A52HA 1.00
R53HA 1.00
R53H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU51 HA 1.00 0.048 0.00 0.00
LEU51 HB3 0.92 0.032 0.92 0.00
ALA52 HA 1.00 0.006 1.00 6.25
ALA52 HB1 1.00 0.001 1.00 1.59
ALA52 H 1.00 0.005 1.00 0.49
ARG53 HA 1.00 0.011 1.00 0.07
ARG53 H 1.00 0.001 1.00 0.15

Detailed Probabilities of ALA(52)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA52 1.00 1.00
ARG53 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A52HA 1.00
A52H 1.00
A52HB2 1.00
R53H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA52 HA 1.00 0.005 1.00 1.14
ALA52 HB1 1.00 0.004 1.00 15.78
ALA52 H 1.00 0.007 1.00 0.88
ARG53 H 1.00 0.003 1.00 0.40
ARG53 HA 0.69 0.019 1.00 0.44

Detailed Probabilities of ALA(52)-N:

Overall probability: 0.917
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU51 0.83 1.00
ALA52 1.00 1.00
ARG53 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L51HG 0.98
L51HB3 1.00
L51H 1.00
L51HA 1.00
L51HB2 1.00
A52HA 1.00
A52HB1 1.00
A52H 1.00
R53H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU51 HA 1.00 0.041 0.00 0.00
LEU51 HB2 1.00 0.007 1.00 -375077.00
LEU51 HB3 1.00 0.001 1.00 -650701.00
LEU51 HG 0.98 0.007 1.00 -242686.00
LEU51 H 1.00 0.001 1.00 -1268065.00
LEU51 HD21 0.58 0.002 1.00 -245374.00
ALA52 HA 1.00 0.001 1.00 -938763.00
ALA52 HB1 1.00 0.000 1.00 -2132308.00
ALA52 H 1.00 0.005 1.00 -10122184.00
ARG53 H 1.00 0.002 1.00 -991886.00
ARG53 HA 0.87 0.019 1.00 -455793.00
ARG53 HB2 0.56 0.003 1.00 -81358.00

Detailed Probabilities of ALA(52)-HA:

Overall probability: 0.883
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU51 0.30 1.00
ALA52 1.00 1.00
ARG53 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L51HA 1.00
A52H 1.00
A52HB1 1.00
A52HA 1.00
R53HA 1.00
R53H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU51 HA 1.00 0.037 0.30 0.00
ALA52 HA 1.00 0.006 1.00 6.25
ALA52 HB1 1.00 0.005 1.00 1.14
ALA52 H 1.00 0.001 1.00 -938763.00
ARG53 HA 1.00 0.014 1.00 0.07
ARG53 H 1.00 0.000 1.00 -410651.00

Detailed Probabilities of ALA(52)-HB1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA52 1.00 1.00
ARG53 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A52HA 1.00
A52H 1.00
A52HB2 1.00
R53H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA52 HA 1.00 0.001 1.00 1.59
ALA52 HB1 1.00 0.004 1.00 15.78
ALA52 H 1.00 0.000 1.00 -2132308.00
ARG53 H 1.00 0.002 1.00 -1445919.00
ARG53 HA 0.69 0.004 1.00 0.13

Detailed Probabilities of ALA(52)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU51 1.00 1.00
ALA52 1.00 1.00
ARG53 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L51HG 0.98
L51HB3 1.00
L51H 1.00
L51HA 1.00
L51HB2 1.00
A52HA 1.00
A52HB1 1.00
A52H 1.00
R53H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU51 HA 1.00 0.004 1.00 0.16
LEU51 HB2 1.00 0.000 1.00 0.12
LEU51 HB3 1.00 0.005 1.00 0.17
LEU51 HG 0.98 0.003 1.00 0.10
LEU51 H 1.00 0.002 1.00 -1340483.00
LEU51 HD21 0.58 0.016 1.00 0.32
ALA52 HA 1.00 0.005 1.00 0.49
ALA52 HB1 1.00 0.007 1.00 0.88
ALA52 H 1.00 0.005 1.00 -10122184.00
ARG53 H 1.00 0.005 1.00 -1406074.00