ARECA's report on PRO43

Residue probability: 0.804
Residue probability confidence: 0.950

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 63.797 62.931 15.301 0.900 0.900
CB 30.985 33.632 13.629 1.000 0.889
CG 26.838 28.412 13.801 0.889 1.000
CD 50.034 49.797 3.175 0.846 1.000
N NA -- -- 0.000 0.000
HA 2.776 4.332 0.427 0.889 0.900
HB2 1.664 2.099 0.501 0.825 0.889
HB3 1.818 2.052 0.596 0.614 0.875
HG2 1.982 1.927 0.364 0.672 1.000
HG3 1.656 1.907 0.417 0.857 1.000
HD2 3.708 3.640 0.682 0.546 1.000
HD3 3.628 3.558 0.522 0.810 1.000

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Detailed Probabilities of PRO(43)-CA:

Overall probability: 0.900
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 1.00 1.00
PRO43 1.00 1.00
ALA44 0.00 0.50

Expected NOESY Contacts
Proton Expected probability
T42HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HA 1.00
A44H 1.00
A44HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.003 1.00 0.06
THR42 HB 0.83 0.000 1.00 0.06
PRO43 HA 1.00 0.004 1.00 5.08
PRO43 HB2 1.00 0.005 1.00 0.75
PRO43 HB3 1.00 0.007 1.00 0.72
PRO43 HG2 1.00 0.009 1.00 0.19
PRO43 HG3 1.00 0.003 1.00 0.75
PRO43 HD2 1.00 0.008 1.00 0.06
PRO43 HD3 1.00 0.004 1.00 0.09
ALA44 HA 1.00 0.306 0.00 0.00

Detailed Probabilities of PRO(43)-CB:

Overall probability: 1.000
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO43 1.00 1.00
ALA44 1.00 0.50

Expected NOESY Contacts
Proton Expected probability
P43HA 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HB2 1.00
A44H 1.00
A44HA 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO43 HA 1.00 0.000 1.00 0.49
PRO43 HB2 1.00 0.006 1.00 3.83
PRO43 HB3 1.00 0.008 1.00 1.85
PRO43 HG2 1.00 0.007 1.00 1.09
PRO43 HG3 1.00 0.002 1.00 3.83
PRO43 HD2 1.00 0.003 1.00 0.22
PRO43 HD3 1.00 0.004 1.00 0.20
ALA44 HA 0.98 0.000 1.00 0.05

Detailed Probabilities of PRO(43)-CG:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 1.00 1.00
PRO43 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
T42HA 0.95
P43HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 0.95 0.010 1.00 0.20
THR42 HB 0.58 0.012 1.00 0.17
PRO43 HA 1.00 0.003 1.00 0.25
PRO43 HB2 1.00 0.022 1.00 3.12
PRO43 HB3 1.00 0.008 1.00 1.67
PRO43 HG2 1.00 0.015 1.00 12.54
PRO43 HG3 1.00 0.030 1.00 0.00
PRO43 HD2 1.00 0.793 0.00 0.00
PRO43 HD3 1.00 0.025 1.00 0.56

Detailed Probabilities of PRO(43)-CD:

Overall probability: 0.846
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.75 1.00
PRO43 0.90 1.00

Expected NOESY Contacts
Proton Expected probability
T42H 1.00
T42HB 0.99
T42HA 1.00
P43HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD3 1.00
P43HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.005 1.00 0.80
THR42 HB 0.99 0.001 1.00 0.77
THR42 H 1.00 0.117 0.00 0.00
THR42 HG21 0.94 0.000 1.00 0.33
PRO43 HA 1.00 0.005 1.00 0.08
PRO43 HB2 1.00 0.005 1.00 0.52
PRO43 HB3 1.00 0.037 0.30 0.00
PRO43 HG2 1.00 0.008 1.00 0.65
PRO43 HG3 1.00 0.003 1.00 0.52
PRO43 HD2 1.00 0.005 1.00 2.33
PRO43 HD3 1.00 0.009 1.00 2.20

Detailed Probabilities of PRO(43)-HA:

Overall probability: 0.889
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 1.00 1.00
PRO43 1.00 1.00
ALA44 0.00 0.50

Expected NOESY Contacts
Proton Expected probability
T42HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HA 1.00
A44H 1.00
A44HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.024 1.00 0.18
PRO43 HA 1.00 0.004 1.00 5.08
PRO43 HB2 1.00 0.000 1.00 0.49
PRO43 HB3 1.00 0.000 1.00 0.67
PRO43 HG2 1.00 0.003 1.00 0.25
PRO43 HG3 1.00 0.006 1.00 0.29
PRO43 HD2 1.00 0.005 1.00 0.08
PRO43 HD3 1.00 0.005 1.00 0.09
ALA44 HA 1.00 0.343 0.00 0.00

Detailed Probabilities of PRO(43)-HB2:

Overall probability: 0.825
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO43 0.86 1.00
ALA44 0.60 0.50

Expected NOESY Contacts
Proton Expected probability
P43HA 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HB2 1.00
A44H 1.00
A44HA 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO43 HA 1.00 0.005 1.00 0.75
PRO43 HB2 1.00 0.006 1.00 3.83
PRO43 HB3 1.00 0.004 1.00 2.71
PRO43 HG2 1.00 0.022 1.00 3.12
PRO43 HG3 1.00 0.147 0.00 0.00
PRO43 HD2 1.00 0.005 1.00 0.52
PRO43 HD3 1.00 0.005 1.00 0.55
ALA44 HA 0.98 0.034 0.60 0.00

Detailed Probabilities of PRO(43)-HB3:

Overall probability: 0.614
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO43 0.61 1.00
ALA44 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
P43HA 1.00
P43HB2 1.00
P43HG2 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HB3 1.00
A44H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO43 HA 1.00 0.007 1.00 0.72
PRO43 HB2 1.00 0.008 1.00 1.85
PRO43 HB3 1.00 0.158 0.00 0.00
PRO43 HG2 1.00 0.008 1.00 1.67
PRO43 HG3 1.00 0.007 1.00 1.11
PRO43 HD2 1.00 0.037 0.30 0.00
PRO43 HD3 1.00 0.149 0.00 0.00

Detailed Probabilities of PRO(43)-HG2:

Overall probability: 0.672
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.52 1.00
PRO43 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
T42HA 0.95
P43HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00
P43HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 0.95 0.052 0.05 0.00
THR42 HB 0.58 0.000 1.00 0.23
PRO43 HA 1.00 0.009 1.00 0.19
PRO43 HB2 1.00 0.007 1.00 1.09
PRO43 HB3 1.00 0.322 0.00 0.00
PRO43 HG2 1.00 0.015 1.00 12.54
PRO43 HG3 1.00 0.171 0.00 0.00
PRO43 HD2 1.00 0.008 1.00 0.65
PRO43 HD3 1.00 0.015 1.00 1.33

Detailed Probabilities of PRO(43)-HG3:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO43 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
P43HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG2 1.00
P43HD2 1.00
P43HD3 1.00
P43HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO43 HA 1.00 0.003 1.00 0.75
PRO43 HB2 1.00 0.002 1.00 3.83
PRO43 HB3 1.00 0.004 1.00 2.71
PRO43 HG2 1.00 0.030 1.00 0.00
PRO43 HG3 1.00 0.155 0.00 0.00
PRO43 HD2 1.00 0.003 1.00 0.52
PRO43 HD3 1.00 0.003 1.00 0.55

Detailed Probabilities of PRO(43)-HD2:

Overall probability: 0.546
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.50 1.00
PRO43 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
T42H 1.00
T42HB 0.99
T42HA 1.00
P43HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD3 1.00
P43HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.077 0.00 0.00
THR42 HB 0.99 0.001 1.00 1.23
THR42 H 1.00 0.049 0.00 0.00
THR42 HG21 0.94 0.002 1.00 0.40
PRO43 HA 1.00 0.008 1.00 0.06
PRO43 HB2 1.00 0.003 1.00 0.22
PRO43 HB3 1.00 0.503 0.00 0.00
PRO43 HG2 1.00 0.793 0.00 0.00
PRO43 HG3 1.00 0.005 1.00 0.35
PRO43 HD2 1.00 0.005 1.00 2.33
PRO43 HD3 1.00 0.051 0.00 0.00

Detailed Probabilities of PRO(43)-HD3:

Overall probability: 0.810
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.73 1.00
PRO43 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
T42HB 0.99
T42H 0.99
T42HA 1.00
P43HA 1.00
P43HB2 1.00
P43HB3 1.00
P43HG2 1.00
P43HG3 1.00
P43HD2 1.00
P43HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.003 1.00 1.37
THR42 HB 0.99 0.079 0.01 0.00
THR42 H 0.99 0.031 0.90 0.00
THR42 HG21 0.79 0.011 1.00 0.41
PRO43 HA 1.00 0.004 1.00 0.09
PRO43 HB2 1.00 0.004 1.00 0.20
PRO43 HB3 1.00 0.423 0.00 0.00
PRO43 HG2 1.00 0.025 1.00 0.56
PRO43 HG3 1.00 0.000 1.00 0.39
PRO43 HD2 1.00 0.009 1.00 2.20
PRO43 HD3 1.00 0.029 1.00 5.13