ARECA's report on PRO19

Residue probability: 0.696
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.808 175.173 13.901 0.000 0.000
CA 63.908 62.931 15.301 0.890 1.000
CB 31.760 33.632 13.629 0.625 1.000
CG 27.613 28.412 13.801 0.800 1.000
CD 50.991 49.797 3.175 0.791 1.000
N NA -- -- 0.000 0.000
HA 4.396 4.332 0.427 0.700 1.000
HB2 1.831 2.099 0.501 0.491 1.000
HB3 2.453 2.052 0.596 0.875 1.000
HG2 2.032 1.927 0.364 0.511 1.000
HG3 1.885 1.907 0.417 0.429 1.000
HD2 3.845 3.640 0.682 0.819 1.000
HD3 3.616 3.558 0.522 0.728 1.000

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Detailed Probabilities of PRO(19)-CA:

Overall probability: 0.890
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 0.90 1.00
PRO19 0.86 1.00
ASN20 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T18HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00
P19HA 1.00
N20H 1.00
N20HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.031 0.90 0.00
PRO19 HA 1.00 0.005 1.00 10.96
PRO19 HB2 1.00 0.014 1.00 1.06
PRO19 HB3 1.00 0.009 1.00 1.51
PRO19 HG2 1.00 0.003 1.00 0.27
PRO19 HG3 1.00 0.040 0.00 0.00
PRO19 HD2 1.00 0.026 1.00 0.65
PRO19 HD3 1.00 0.000 1.00 0.18
ASN20 HA 1.00 0.022 1.00 0.05
ASN20 H 1.00 0.007 1.00 0.17

Detailed Probabilities of PRO(19)-CB:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO19 0.57 1.00
ASN20 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P19HA 1.00
P19HB2 1.00
P19HG2 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00
P19HB3 1.00
N20H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO19 HA 1.00 0.006 1.00 1.01
PRO19 HB2 1.00 0.006 1.00 2.42
PRO19 HB3 1.00 0.616 0.00 0.00
PRO19 HG2 1.00 0.195 0.00 0.00
PRO19 HG3 1.00 0.048 0.00 0.00
PRO19 HD2 1.00 0.005 1.00 0.17
PRO19 HD3 1.00 0.001 1.00 0.20
ASN20 H 1.00 0.012 1.00 0.08

Detailed Probabilities of PRO(19)-CG:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO19 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
P19HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HD2 1.00
P19HD3 1.00
P19HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO19 HA 1.00 0.022 1.00 0.54
PRO19 HB2 1.00 0.058 0.00 0.00
PRO19 HB3 1.00 0.012 1.00 0.79
PRO19 HG2 1.00 0.034 0.60 0.00
PRO19 HG3 1.00 0.004 1.00 9.37
PRO19 HD2 1.00 0.013 1.00 0.90
PRO19 HD3 1.00 0.003 1.00 0.48

Detailed Probabilities of PRO(19)-CD:

Overall probability: 0.791
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 0.93 1.00
PRO19 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
T18H 1.00
T18HB 0.99
T18HA 1.00
P19HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HG3 1.00
P19HD3 1.00
P19HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.001 1.00 0.99
THR18 HB 0.99 0.001 1.00 0.70
THR18 H 1.00 0.033 0.70 0.00
THR18 HG21 0.94 0.005 1.00 0.30
PRO19 HA 1.00 0.111 0.00 0.00
PRO19 HB2 1.00 0.045 0.00 0.00
PRO19 HB3 1.00 0.011 1.00 0.15
PRO19 HG2 1.00 0.023 1.00 0.64
PRO19 HG3 1.00 0.009 1.00 0.45
PRO19 HD2 1.00 0.012 1.00 3.82
PRO19 HD3 1.00 0.002 1.00 1.61

Detailed Probabilities of PRO(19)-HA:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 1.00 1.00
PRO19 0.71 1.00
ASN20 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
T18HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00
P19HA 1.00
N20H 1.00
N20HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.028 1.00 0.34
PRO19 HA 1.00 0.005 1.00 10.96
PRO19 HB2 1.00 0.016 1.00 0.72
PRO19 HB3 1.00 0.006 1.00 1.01
PRO19 HG2 1.00 0.010 1.00 0.44
PRO19 HG3 1.00 0.022 1.00 0.54
PRO19 HD2 1.00 0.111 0.00 0.00
PRO19 HD3 1.00 0.112 0.00 0.00
ASN20 HA 1.00 0.103 0.00 0.00
ASN20 H 1.00 0.006 1.00 -344809.00

Detailed Probabilities of PRO(19)-HB2:

Overall probability: 0.491
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO19 0.49 1.00
ASN20 0.51 1.00

Expected NOESY Contacts
Proton Expected probability
P19HA 1.00
P19HB3 1.00
P19HG2 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00
P19HB2 1.00
N20HA 0.98
N20H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO19 HA 1.00 0.014 1.00 1.06
PRO19 HB2 1.00 0.005 1.00 6.97
PRO19 HB3 1.00 0.006 1.00 2.42
PRO19 HG2 1.00 0.115 0.00 0.00
PRO19 HG3 1.00 0.058 0.00 0.00
PRO19 HD2 1.00 0.045 0.00 0.00
PRO19 HD3 1.00 0.036 0.40 0.00
ASN20 HA 0.98 0.043 0.02 0.00
ASN20 H 1.00 0.003 1.00 -225279.00

Detailed Probabilities of PRO(19)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO19 0.86 1.00
ASN20 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P19HA 1.00
P19HB2 1.00
P19HG2 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00
P19HB3 1.00
N20H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO19 HA 1.00 0.009 1.00 1.51
PRO19 HB2 1.00 0.012 1.00 1.79
PRO19 HB3 1.00 0.616 0.00 0.00
PRO19 HG2 1.00 0.014 1.00 0.75
PRO19 HG3 1.00 0.012 1.00 0.79
PRO19 HD2 1.00 0.011 1.00 0.15
PRO19 HD3 1.00 0.006 1.00 0.14
ASN20 H 1.00 0.005 1.00 -182085.00

Detailed Probabilities of PRO(19)-HG2:

Overall probability: 0.511
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 1.00 1.00
PRO19 0.37 1.00

Expected NOESY Contacts
Proton Expected probability
T18HA 0.95
P19HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00
P19HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 0.95 0.005 1.00 0.62
THR18 HB 0.58 0.002 1.00 0.17
PRO19 HA 1.00 0.003 1.00 0.27
PRO19 HB2 1.00 0.042 0.00 0.00
PRO19 HB3 1.00 0.195 0.00 0.00
PRO19 HG2 1.00 0.316 0.00 0.00
PRO19 HG3 1.00 0.034 0.60 0.00
PRO19 HD2 1.00 0.023 1.00 0.64
PRO19 HD3 1.00 0.165 0.00 0.00

Detailed Probabilities of PRO(19)-HG3:

Overall probability: 0.429
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO19 0.43 1.00

Expected NOESY Contacts
Proton Expected probability
P19HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HD2 1.00
P19HD3 1.00
P19HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO19 HA 1.00 0.040 0.00 0.00
PRO19 HB2 1.00 0.059 0.00 0.00
PRO19 HB3 1.00 0.048 0.00 0.00
PRO19 HG2 1.00 0.169 0.00 0.00
PRO19 HG3 1.00 0.004 1.00 9.37
PRO19 HD2 1.00 0.009 1.00 0.45
PRO19 HD3 1.00 0.018 1.00 0.44

Detailed Probabilities of PRO(19)-HD2:

Overall probability: 0.819
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 0.75 1.00
PRO19 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
T18H 1.00
T18HB 0.99
T18HA 1.00
P19HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HG3 1.00
P19HD3 1.00
P19HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.004 1.00 1.19
THR18 HB 0.99 0.002 1.00 0.73
THR18 H 1.00 0.649 0.00 0.00
THR18 HG21 0.94 0.004 1.00 0.37
PRO19 HA 1.00 0.026 1.00 0.65
PRO19 HB2 1.00 0.017 1.00 0.29
PRO19 HB3 1.00 0.005 1.00 0.17
PRO19 HG2 1.00 0.047 0.00 0.00
PRO19 HG3 1.00 0.013 1.00 0.90
PRO19 HD2 1.00 0.012 1.00 3.82
PRO19 HD3 1.00 0.005 1.00 1.69

Detailed Probabilities of PRO(19)-HD3:

Overall probability: 0.728
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 0.75 1.00
PRO19 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
T18HB 0.99
T18H 0.99
T18HA 1.00
P19HA 1.00
P19HB2 1.00
P19HB3 1.00
P19HG2 1.00
P19HG3 1.00
P19HD2 1.00
P19HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.003 1.00 0.76
THR18 HB 0.99 0.007 1.00 1.10
THR18 H 0.99 0.878 0.01 0.00
THR18 HG21 0.79 0.005 1.00 0.77
PRO19 HA 1.00 0.000 1.00 0.18
PRO19 HB2 1.00 0.045 0.00 0.00
PRO19 HB3 1.00 0.001 1.00 0.20
PRO19 HG2 1.00 0.021 1.00 1.62
PRO19 HG3 1.00 0.003 1.00 0.48
PRO19 HD2 1.00 0.002 1.00 1.61
PRO19 HD3 1.00 0.224 0.00 0.00