ARECA's report on PRO68

Residue probability: 0.679
Residue probability confidence: 0.951

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 64.167 62.931 15.301 0.600 0.909
CB 31.942 33.632 13.629 0.600 0.875
CG 27.601 28.412 13.801 0.857 1.000
CD 49.045 49.797 3.175 0.900 1.000
N NA -- -- 0.000 0.000
HA 4.463 4.332 0.427 0.430 0.909
HB2 1.875 2.099 0.501 0.778 0.889
HB3 2.314 2.052 0.596 0.857 0.875
HG2 2.084 1.927 0.364 0.714 1.000
HG3 1.888 1.907 0.417 0.714 1.000
HD2 3.500 3.640 0.682 0.700 1.000
HD3 3.827 3.558 0.522 0.321 1.000

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Detailed Probabilities of PRO(68)-CA:

Overall probability: 0.600
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY67 0.00 1.00
PRO68 0.86 1.00
ASP69 0.00 0.50

Expected NOESY Contacts
Proton Expected probability
G67HA3 1.00
G67HA2 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00
P68HA 1.00
D69H 1.00
D69HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY67 HA2 1.00 0.123 0.00 0.00
GLY67 HA3 1.00 0.098 0.00 0.00
PRO68 HA 1.00 0.009 1.00 5.42
PRO68 HB2 1.00 0.007 1.00 0.75
PRO68 HB3 1.00 0.000 1.00 1.31
PRO68 HG2 1.00 0.017 1.00 0.26
PRO68 HG3 1.00 0.006 1.00 0.75
PRO68 HD2 1.00 0.003 1.00 0.17
PRO68 HD3 1.00 0.064 0.00 0.00
ASP69 HA 1.00 0.136 0.00 0.00

Detailed Probabilities of PRO(68)-CB:

Overall probability: 0.600
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO68 0.60 1.00
ASP69 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
P68HA 1.00
P68HB2 1.00
P68HG2 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00
P68HB3 1.00
D69H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO68 HA 1.00 0.043 0.00 0.00
PRO68 HB2 1.00 0.005 1.00 6.76
PRO68 HB3 1.00 0.002 1.00 21.15
PRO68 HG2 1.00 0.020 1.00 2.26
PRO68 HG3 1.00 0.008 1.00 6.76
PRO68 HD2 1.00 0.072 0.00 0.00
PRO68 HD3 1.00 0.038 0.20 0.00

Detailed Probabilities of PRO(68)-CG:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO68 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
P68HA 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HD2 1.00
P68HD3 1.00
P68HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO68 HA 1.00 0.045 0.00 0.00
PRO68 HB2 1.00 0.014 1.00 9.37
PRO68 HB3 1.00 0.002 1.00 1.15
PRO68 HG2 1.00 0.018 1.00 4.46
PRO68 HG3 1.00 0.001 1.00 9.37
PRO68 HD2 1.00 0.002 1.00 0.68
PRO68 HD3 1.00 0.005 1.00 0.90

Detailed Probabilities of PRO(68)-CD:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY67 0.67 1.00
PRO68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
G67HA3 1.00
G67H 0.99
G67HA2 1.00
P68HA 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HG3 1.00
P68HD3 1.00
P68HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY67 HA2 1.00 0.060 0.00 0.00
GLY67 HA3 1.00 0.004 1.00 0.58
GLY67 H 0.99 0.013 1.00 0.07
PRO68 HA 1.00 0.012 1.00 0.10
PRO68 HB2 1.00 0.014 1.00 0.79
PRO68 HB3 1.00 0.004 1.00 0.21
PRO68 HG2 1.00 0.003 1.00 0.56
PRO68 HG3 1.00 0.001 1.00 0.79
PRO68 HD2 1.00 0.003 1.00 3.20
PRO68 HD3 1.00 0.001 1.00 2.71

Detailed Probabilities of PRO(68)-HA:

Overall probability: 0.430
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY67 0.00 1.00
PRO68 0.61 1.00
ASP69 0.00 0.50

Expected NOESY Contacts
Proton Expected probability
G67HA3 1.00
G67HA2 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00
P68HA 1.00
D69H 1.00
D69HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY67 HA2 1.00 0.201 0.00 0.00
GLY67 HA3 1.00 0.041 0.00 0.00
PRO68 HA 1.00 0.009 1.00 5.42
PRO68 HB2 1.00 0.037 0.30 0.00
PRO68 HB3 1.00 0.043 0.00 0.00
PRO68 HG2 1.00 0.013 1.00 0.48
PRO68 HG3 1.00 0.045 0.00 0.00
PRO68 HD2 1.00 0.012 1.00 0.10
PRO68 HD3 1.00 0.010 1.00 0.10
ASP69 HA 1.00 0.048 0.00 0.00

Detailed Probabilities of PRO(68)-HB2:

Overall probability: 0.778
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO68 0.71 1.00
ASP69 1.00 0.50

Expected NOESY Contacts
Proton Expected probability
P68HA 1.00
P68HB3 1.00
P68HG2 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00
P68HB2 1.00
D69HA 0.99
D69H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO68 HA 1.00 0.007 1.00 0.75
PRO68 HB2 1.00 0.444 0.00 0.00
PRO68 HB3 1.00 0.005 1.00 6.76
PRO68 HG2 1.00 0.016 1.00 5.40
PRO68 HG3 1.00 0.014 1.00 9.37
PRO68 HD2 1.00 0.014 1.00 0.79
PRO68 HD3 1.00 0.544 0.00 0.00
ASP69 HA 0.99 0.023 1.00 0.24
ASP69 HB2 0.64 0.004 1.00 0.06

Detailed Probabilities of PRO(68)-HB3:

Overall probability: 0.857
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO68 0.86 1.00
ASP69 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
P68HA 1.00
P68HB2 1.00
P68HG2 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00
P68HB3 1.00
D69H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO68 HA 1.00 0.000 1.00 1.31
PRO68 HB2 1.00 0.012 1.00 6.08
PRO68 HB3 1.00 0.002 1.00 21.15
PRO68 HG2 1.00 0.013 1.00 3.73
PRO68 HG3 1.00 0.002 1.00 1.15
PRO68 HD2 1.00 0.004 1.00 0.21
PRO68 HD3 1.00 0.983 0.00 0.00

Detailed Probabilities of PRO(68)-HG2:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO68 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
P68HA 1.00
P68HB2 1.00
P68HB3 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00
P68HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO68 HA 1.00 0.017 1.00 0.26
PRO68 HB2 1.00 0.242 0.00 0.00
PRO68 HB3 1.00 0.020 1.00 2.26
PRO68 HG2 1.00 0.001 1.00 31.34
PRO68 HG3 1.00 0.018 1.00 4.46
PRO68 HD2 1.00 0.003 1.00 0.56
PRO68 HD3 1.00 0.753 0.00 0.00

Detailed Probabilities of PRO(68)-HG3:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO68 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
P68HA 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HD2 1.00
P68HD3 1.00
P68HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO68 HA 1.00 0.006 1.00 0.75
PRO68 HB2 1.00 0.438 0.00 0.00
PRO68 HB3 1.00 0.008 1.00 6.76
PRO68 HG2 1.00 0.003 1.00 5.40
PRO68 HG3 1.00 0.001 1.00 9.37
PRO68 HD2 1.00 0.001 1.00 0.79
PRO68 HD3 1.00 0.557 0.00 0.00

Detailed Probabilities of PRO(68)-HD2:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY67 0.67 1.00
PRO68 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
G67HA3 1.00
G67H 0.99
G67HA2 1.00
P68HA 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HG3 1.00
P68HD3 1.00
P68HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY67 HA2 1.00 0.003 1.00 0.50
GLY67 HA3 1.00 0.116 0.00 0.00
GLY67 H 0.99 0.004 1.00 -152395.00
PRO68 HA 1.00 0.003 1.00 0.17
PRO68 HB2 1.00 0.330 0.00 0.00
PRO68 HB3 1.00 0.072 0.00 0.00
PRO68 HG2 1.00 0.013 1.00 0.65
PRO68 HG3 1.00 0.002 1.00 0.68
PRO68 HD2 1.00 0.003 1.00 3.20
PRO68 HD3 1.00 0.004 1.00 2.74

Detailed Probabilities of PRO(68)-HD3:

Overall probability: 0.321
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY67 0.34 1.00
PRO68 0.31 1.00

Expected NOESY Contacts
Proton Expected probability
G67H 0.99
G67HA2 1.00
G67HA3 1.00
P68HA 1.00
P68HB2 1.00
P68HB3 1.00
P68HG2 1.00
P68HG3 1.00
P68HD2 1.00
P68HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY67 HA2 1.00 0.055 0.00 0.00
GLY67 HA3 1.00 0.002 1.00 0.53
GLY67 H 0.99 0.059 0.01 0.00
PRO68 HA 1.00 0.064 0.00 0.00
PRO68 HB2 1.00 0.216 0.00 0.00
PRO68 HB3 1.00 0.038 0.20 0.00
PRO68 HG2 1.00 0.057 0.00 0.00
PRO68 HG3 1.00 0.005 1.00 0.90
PRO68 HD2 1.00 0.001 1.00 2.71
PRO68 HD3 1.00 0.331 0.00 0.00