ARECA's report on PRO50

Residue probability: 0.780
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.097 175.173 13.901 0.000 0.000
CA 64.757 62.931 15.301 0.873 1.000
CB 32.122 33.632 13.629 0.750 1.000
CG 27.711 28.412 13.801 0.871 1.000
CD 50.987 49.797 3.175 0.713 1.000
N NA -- -- 0.000 0.000
HA 4.194 4.332 0.427 0.818 1.000
HB2 2.051 2.099 0.501 0.778 1.000
HB3 2.549 2.052 0.596 0.750 1.000
HG2 2.293 1.927 0.364 1.000 1.000
HG3 2.101 1.907 0.417 0.514 1.000
HD2 3.970 3.640 0.682 0.822 1.000
HD3 3.863 3.558 0.522 0.694 1.000

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Detailed Probabilities of PRO(50)-CA:

Overall probability: 0.873
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER49 0.50 1.00
PRO50 0.94 1.00
LEU51 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S49HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG2 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HA 1.00
L51H 1.00
L51HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER49 HA 1.00 0.340 0.00 0.00
SER49 HB3 0.72 0.023 1.00 0.23
PRO50 HA 1.00 0.003 1.00 8.81
PRO50 HB2 1.00 0.016 1.00 1.04
PRO50 HB3 1.00 0.000 1.00 1.62
PRO50 HG2 1.00 0.004 1.00 0.26
PRO50 HG3 1.00 0.034 0.60 0.00
PRO50 HD2 1.00 0.008 1.00 0.18
PRO50 HD3 1.00 0.017 1.00 0.23
LEU51 HA 1.00 0.008 1.00 0.09
LEU51 H 1.00 0.000 1.00 0.20

Detailed Probabilities of PRO(50)-CB:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO50 0.71 1.00
LEU51 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P50HA 1.00
P50HB2 1.00
P50HG2 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HB3 1.00
L51H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO50 HA 1.00 0.004 1.00 1.38
PRO50 HB2 1.00 0.001 1.00 3.95
PRO50 HB3 1.00 0.013 1.00 6.65
PRO50 HG2 1.00 0.001 1.00 0.91
PRO50 HG3 1.00 0.049 0.00 0.00
PRO50 HD2 1.00 0.114 0.00 0.00
PRO50 HD3 1.00 0.007 1.00 0.22
LEU51 H 1.00 0.003 1.00 0.18

Detailed Probabilities of PRO(50)-CG:

Overall probability: 0.871
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO50 0.87 1.00

Expected NOESY Contacts
Proton Expected probability
P50HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO50 HA 1.00 0.007 1.00 0.29
PRO50 HB2 1.00 0.039 0.10 0.00
PRO50 HB3 1.00 0.002 1.00 0.82
PRO50 HG2 1.00 0.002 1.00 6.41
PRO50 HG3 1.00 0.011 1.00 4.32
PRO50 HD2 1.00 0.000 1.00 0.80
PRO50 HD3 1.00 0.006 1.00 0.70

Detailed Probabilities of PRO(50)-CD:

Overall probability: 0.713
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER49 0.61 1.00
PRO50 0.77 1.00

Expected NOESY Contacts
Proton Expected probability
S49HA 1.00
S49H 0.98
S49HB3 0.97
S49HB2 0.96
P50HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG2 1.00
P50HG3 1.00
P50HD3 1.00
P50HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER49 HA 1.00 0.003 1.00 0.56
SER49 HB2 0.96 0.319 0.04 0.00
SER49 HB3 0.97 0.036 0.40 0.00
SER49 H 0.98 0.011 1.00 0.07
PRO50 HA 1.00 0.003 1.00 0.14
PRO50 HB2 1.00 0.036 0.40 0.00
PRO50 HB3 1.00 0.060 0.00 0.00
PRO50 HG2 1.00 0.000 1.00 0.42
PRO50 HG3 1.00 0.000 1.00 1.16
PRO50 HD2 1.00 0.013 1.00 8.06
PRO50 HD3 1.00 0.004 1.00 1.62

Detailed Probabilities of PRO(50)-HA:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER49 1.00 1.00
PRO50 0.86 1.00
LEU51 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
S49HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG2 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HA 1.00
L51H 1.00
L51HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER49 HA 1.00 0.008 1.00 0.05
SER49 H 0.65 0.018 1.00 -823461.00
PRO50 HA 1.00 0.003 1.00 8.81
PRO50 HB2 1.00 0.008 1.00 0.63
PRO50 HB3 1.00 0.004 1.00 1.38
PRO50 HG2 1.00 0.007 1.00 0.29
PRO50 HG3 1.00 0.003 1.00 0.69
PRO50 HD2 1.00 0.003 1.00 0.14
PRO50 HD3 1.00 0.061 0.00 0.00
LEU51 HA 1.00 0.191 0.00 0.00
LEU51 H 1.00 0.003 1.00 -268312.00

Detailed Probabilities of PRO(50)-HB2:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO50 0.71 1.00
LEU51 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P50HA 1.00
P50HB3 1.00
P50HG2 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HB2 1.00
L51HA 0.99
L51H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO50 HA 1.00 0.016 1.00 1.04
PRO50 HB2 1.00 0.033 0.70 0.00
PRO50 HB3 1.00 0.001 1.00 3.95
PRO50 HG2 1.00 0.039 0.10 0.00
PRO50 HG3 1.00 0.032 0.80 0.00
PRO50 HD2 1.00 0.036 0.40 0.00
PRO50 HD3 1.00 0.004 1.00 0.64
LEU51 HA 0.99 0.023 1.00 0.51
LEU51 H 1.00 0.009 1.00 -650405.00

Detailed Probabilities of PRO(50)-HB3:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO50 0.71 1.00
LEU51 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P50HA 1.00
P50HB2 1.00
P50HG2 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HB3 1.00
L51H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO50 HA 1.00 0.000 1.00 1.62
PRO50 HB2 1.00 0.059 0.00 0.00
PRO50 HB3 1.00 0.013 1.00 6.65
PRO50 HG2 1.00 0.002 1.00 0.82
PRO50 HG3 1.00 0.001 1.00 0.91
PRO50 HD2 1.00 0.060 0.00 0.00
PRO50 HD3 1.00 0.003 1.00 0.12
LEU51 H 1.00 0.001 1.00 -255925.00

Detailed Probabilities of PRO(50)-HG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO50 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P50HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00
P50HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO50 HA 1.00 0.004 1.00 0.26
PRO50 HB2 1.00 0.003 1.00 1.00
PRO50 HB3 1.00 0.001 1.00 0.91
PRO50 HG2 1.00 0.002 1.00 6.41
PRO50 HG3 1.00 0.008 1.00 3.73
PRO50 HD2 1.00 0.000 1.00 0.42
PRO50 HD3 1.00 0.001 1.00 0.37

Detailed Probabilities of PRO(50)-HG3:

Overall probability: 0.514
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO50 0.51 1.00

Expected NOESY Contacts
Proton Expected probability
P50HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG2 1.00
P50HD2 1.00
P50HD3 1.00
P50HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO50 HA 1.00 0.034 0.60 0.00
PRO50 HB2 1.00 0.083 0.00 0.00
PRO50 HB3 1.00 0.049 0.00 0.00
PRO50 HG2 1.00 0.011 1.00 4.32
PRO50 HG3 1.00 0.018 1.00 31.34
PRO50 HD2 1.00 0.000 1.00 1.16
PRO50 HD3 1.00 0.046 0.00 0.00

Detailed Probabilities of PRO(50)-HD2:

Overall probability: 0.822
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER49 0.76 1.00
PRO50 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
S49HA 1.00
S49H 0.98
S49HB3 0.97
S49HB2 0.96
P50HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG2 1.00
P50HG3 1.00
P50HD3 1.00
P50HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER49 HA 1.00 0.009 1.00 0.53
SER49 HB2 0.96 0.149 0.04 0.00
SER49 HB3 0.97 0.009 1.00 0.14
SER49 H 0.98 0.013 1.00 -204631.00
PRO50 HA 1.00 0.008 1.00 0.18
PRO50 HB2 1.00 0.013 1.00 0.88
PRO50 HB3 1.00 0.114 0.00 0.00
PRO50 HG2 1.00 0.000 1.00 0.80
PRO50 HG3 1.00 0.015 1.00 1.66
PRO50 HD2 1.00 0.013 1.00 8.06
PRO50 HD3 1.00 0.007 1.00 1.66

Detailed Probabilities of PRO(50)-HD3:

Overall probability: 0.694
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER49 0.41 1.00
PRO50 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
S49HA 1.00
S49H 0.96
S49HB3 0.99
S49HB2 0.98
P50HA 1.00
P50HB2 1.00
P50HB3 1.00
P50HG2 1.00
P50HG3 1.00
P50HD2 1.00
P50HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER49 HA 1.00 0.014 1.00 0.70
SER49 HB2 0.98 0.042 0.02 0.00
SER49 HB3 0.99 0.057 0.01 0.00
SER49 H 0.96 0.034 0.60 0.00
PRO50 HA 1.00 0.017 1.00 0.23
PRO50 HB2 1.00 0.004 1.00 0.22
PRO50 HB3 1.00 0.007 1.00 0.22
PRO50 HG2 1.00 0.006 1.00 0.70
PRO50 HG3 1.00 0.093 0.00 0.00
PRO50 HD2 1.00 0.004 1.00 1.62
PRO50 HD3 1.00 0.006 1.00 3.82