ARECA's report on ARG30

Residue probability: 0.622
Residue probability confidence: 0.866

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.332 176.453 2.303 0.000 0.000
CA 53.788 56.803 3.326 0.388 1.000
CB 32.391 30.892 2.424 0.778 0.900
CG 26.702 27.247 1.538 0.449 0.818
CD 42.856 43.189 1.415 0.850 0.700
N 127.787 120.701 3.779 0.923 1.000
NE NA -- -- 0.000 0.000
NH1 NA -- -- 0.000 0.000
NH2 NA -- -- 0.000 0.000
HA 4.740 4.301 0.495 0.860 1.000
HB2 1.654 1.793 0.292 0.400 0.900
HB3 1.514 1.757 0.307 0.500 0.900
HG2 1.497 1.559 0.294 0.444 0.818
HG3 1.452 1.535 0.310 0.071 0.818
HD2 3.333 3.105 0.301 0.914 0.700
HD3 2.933 3.081 0.306 0.575 0.700
H 9.135 8.248 0.623 0.929 1.000
HE NA -- -- 0.000 0.000
HH1 NA -- -- 0.000 0.000
HH2 NA -- -- 0.000 0.000

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Detailed Probabilities of ARG(30)-CA:

Overall probability: 0.388
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL29 0.64 1.00
ARG30 0.39 1.00
ASP31 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
V29HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD2 0.98
R30HD3 0.97
R30H 1.00
R30HA 1.00
D31H 1.00
D31HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL29 HA 1.00 0.085 0.00 0.00
VAL29 HG11 0.57 0.015 1.00 0.56
VAL29 H 0.92 0.031 0.92 0.00
ARG30 HA 1.00 0.004 1.00 4.38
ARG30 HB2 1.00 0.034 0.60 0.00
ARG30 HB3 1.00 0.052 0.00 0.00
ARG30 HG2 1.00 0.069 0.00 0.00
ARG30 HG3 1.00 0.039 0.10 0.00
ARG30 HD2 0.98 0.036 0.40 0.00
ARG30 HD3 0.97 0.095 0.03 0.00
ARG30 H 1.00 0.013 1.00 0.48
ASP31 HA 1.00 0.082 0.00 0.00
ASP31 H 1.00 0.043 0.00 0.00

Detailed Probabilities of ARG(30)-CB:

Overall probability: 0.778
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.75 0.89
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R30HA 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD2 1.00
R30HD3 1.00
R30H 1.00
R30HE 1.00
R30HB2 1.00
D31H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 1.00 0.010 1.00 0.21
ARG30 HB2 1.00 0.137 0.00 0.00
ARG30 HB3 1.00 0.003 1.00 0.68
ARG30 HG2 1.00 0.020 1.00 0.68
ARG30 HG3 1.00 0.065 0.00 0.00
ARG30 HD2 1.00 0.005 1.00 0.09
ARG30 HD3 1.00 0.006 1.00 0.14
ARG30 H 1.00 0.006 1.00 0.08
ASP31 H 1.00 0.008 1.00 0.06

Detailed Probabilities of ARG(30)-CG:

Overall probability: 0.449
Overall confidence: 0.818

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.50 0.80
ASP31 0.04 1.00

Expected NOESY Contacts
Proton Expected probability
R30HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HD2 1.00
R30HD3 1.00
R30H 1.00
R30HE 1.00
R30HH11 1.00
R30HG3 1.00
D31H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 1.00 0.007 1.00 0.22
ARG30 HB2 1.00 0.242 0.00 0.00
ARG30 HB3 1.00 0.256 0.00 0.00
ARG30 HG2 1.00 0.239 0.00 0.00
ARG30 HG3 1.00 0.194 0.00 0.00
ARG30 HD2 1.00 0.005 1.00 0.18
ARG30 HD3 1.00 0.008 1.00 0.19
ARG30 H 1.00 0.006 1.00 0.11
ASP31 H 0.96 0.556 0.04 0.00

Detailed Probabilities of ARG(30)-CD:

Overall probability: 0.850
Overall confidence: 0.700

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.85 0.70

Expected NOESY Contacts
Proton Expected probability
R30HA 0.98
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD3 1.00
R30HE 1.00
R30HH11 1.00
R30HH21 1.00
R30HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 0.98 0.037 0.30 0.00
ARG30 HB2 1.00 0.009 1.00 0.26
ARG30 HB3 1.00 0.027 1.00 0.48
ARG30 HG2 1.00 0.010 1.00 0.48
ARG30 HG3 1.00 0.035 0.50 0.00
ARG30 HD2 1.00 0.006 1.00 2.10
ARG30 HD3 1.00 0.006 1.00 1.44
ARG30 H 0.87 0.002 1.00 0.06

Detailed Probabilities of ARG(30)-N:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL29 1.00 1.00
ARG30 0.83 1.00
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V29HG11 0.98
V29H 1.00
V29HB 1.00
V29HA 1.00
R30HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30H 1.00
D31H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL29 HA 1.00 0.005 1.00 -2123519.00
VAL29 HB 1.00 0.005 1.00 -155074.00
VAL29 HG11 0.98 0.008 1.00 -796220.00
VAL29 H 1.00 0.001 1.00 -124543.00
VAL29 HG21 0.94 0.002 1.00 -337086.00
ARG30 HA 1.00 0.006 1.00 -296604.00
ARG30 HB2 1.00 0.001 1.00 -269763.00
ARG30 HB3 1.00 0.016 1.00 -485219.00
ARG30 HG2 1.00 0.001 1.00 -485219.00
ARG30 HG3 1.00 0.046 0.00 0.00
ARG30 H 1.00 0.006 1.00 -4695212.00
ASP31 H 1.00 0.001 1.00 -120160.00
ASP31 HA 0.84 0.001 1.00 -98556.00

Detailed Probabilities of ARG(30)-HA:

Overall probability: 0.860
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL29 1.00 1.00
ARG30 0.79 1.00
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V29HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD2 0.98
R30HD3 0.97
R30H 1.00
R30HA 1.00
D31H 1.00
D31HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL29 HA 1.00 0.011 1.00 0.10
VAL29 HG11 0.57 0.001 1.00 0.23
ARG30 HA 1.00 0.004 1.00 4.38
ARG30 HB2 1.00 0.010 1.00 0.21
ARG30 HB3 1.00 0.003 1.00 0.16
ARG30 HG2 1.00 0.008 1.00 0.22
ARG30 HG3 1.00 0.007 1.00 0.22
ARG30 HD2 0.98 0.037 0.30 0.00
ARG30 HD3 0.97 0.546 0.03 0.00
ARG30 H 1.00 0.006 1.00 -296604.00
ASP31 HA 1.00 0.009 1.00 0.06
ASP31 H 1.00 0.009 1.00 -2142537.00

Detailed Probabilities of ARG(30)-HB2:

Overall probability: 0.400
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.33 0.89
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R30HA 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD2 1.00
R30HD3 1.00
R30H 1.00
R30HE 1.00
R30HB2 1.00
D31H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 1.00 0.034 0.60 0.00
ARG30 HB2 1.00 0.137 0.00 0.00
ARG30 HB3 1.00 0.229 0.00 0.00
ARG30 HG2 1.00 0.260 0.00 0.00
ARG30 HG3 1.00 0.242 0.00 0.00
ARG30 HD2 1.00 0.009 1.00 0.26
ARG30 HD3 1.00 0.995 0.00 0.00
ARG30 H 1.00 0.001 1.00 -269763.00
ASP31 H 1.00 0.005 1.00 -486197.00

Detailed Probabilities of ARG(30)-HB3:

Overall probability: 0.500
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.38 0.89
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R30HA 1.00
R30HB2 1.00
R30HG2 1.00
R30HG3 1.00
R30HD2 1.00
R30HD3 1.00
R30H 1.00
R30HE 1.00
R30HB3 1.00
D31H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 1.00 0.052 0.00 0.00
ARG30 HB2 1.00 0.003 1.00 0.68
ARG30 HB3 1.00 0.369 0.00 0.00
ARG30 HG2 1.00 0.120 0.00 0.00
ARG30 HG3 1.00 0.256 0.00 0.00
ARG30 HD2 1.00 0.027 1.00 0.48
ARG30 HD3 1.00 0.855 0.00 0.00
ARG30 H 1.00 0.016 1.00 -485219.00
ASP31 H 1.00 0.004 1.00 -408723.00
ASP31 HA 0.75 0.002 1.00 0.05

Detailed Probabilities of ARG(30)-HG2:

Overall probability: 0.444
Overall confidence: 0.818

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.38 0.80
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R30HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG3 1.00
R30HD2 1.00
R30HD3 1.00
R30H 1.00
R30HE 1.00
R30HH11 1.00
R30HG2 1.00
D31H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 1.00 0.069 0.00 0.00
ARG30 HB2 1.00 0.020 1.00 0.68
ARG30 HB3 1.00 0.386 0.00 0.00
ARG30 HG2 1.00 0.103 0.00 0.00
ARG30 HG3 1.00 0.239 0.00 0.00
ARG30 HD2 1.00 0.010 1.00 0.48
ARG30 HD3 1.00 0.838 0.00 0.00
ARG30 H 1.00 0.001 1.00 -485219.00
ASP31 H 0.98 0.013 1.00 -408723.00

Detailed Probabilities of ARG(30)-HG3:

Overall probability: 0.071
Overall confidence: 0.818

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.08 0.80
ASP31 0.04 1.00

Expected NOESY Contacts
Proton Expected probability
R30HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HD2 1.00
R30HD3 1.00
R30H 1.00
R30HE 1.00
R30HH11 1.00
R30HG3 1.00
D31H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 1.00 0.039 0.10 0.00
ARG30 HB2 1.00 0.065 0.00 0.00
ARG30 HB3 1.00 0.431 0.00 0.00
ARG30 HG2 1.00 0.058 0.00 0.00
ARG30 HG3 1.00 0.194 0.00 0.00
ARG30 HD2 1.00 0.035 0.50 0.00
ARG30 HD3 1.00 0.793 0.00 0.00
ARG30 H 1.00 0.046 0.00 0.00
ASP31 H 0.96 0.058 0.04 0.00

Detailed Probabilities of ARG(30)-HD2:

Overall probability: 0.914
Overall confidence: 0.700

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.91 0.70

Expected NOESY Contacts
Proton Expected probability
R30HA 0.98
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD3 1.00
R30HE 1.00
R30HH11 1.00
R30HH21 1.00
R30HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 0.98 0.036 0.40 0.00
ARG30 HB2 1.00 0.005 1.00 0.09
ARG30 HB3 1.00 0.010 1.00 0.07
ARG30 HG2 1.00 0.001 1.00 0.18
ARG30 HG3 1.00 0.005 1.00 0.18
ARG30 HD2 1.00 0.006 1.00 2.10
ARG30 HD3 1.00 0.004 1.00 1.28

Detailed Probabilities of ARG(30)-HD3:

Overall probability: 0.575
Overall confidence: 0.700

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG30 0.58 0.70

Expected NOESY Contacts
Proton Expected probability
R30HA 0.97
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30HD2 1.00
R30HE 1.00
R30HH11 1.00
R30HH21 1.00
R30HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG30 HA 0.97 0.095 0.03 0.00
ARG30 HB2 1.00 0.006 1.00 0.14
ARG30 HB3 1.00 0.002 1.00 0.09
ARG30 HG2 1.00 0.399 0.00 0.00
ARG30 HG3 1.00 0.008 1.00 0.19
ARG30 HD2 1.00 0.006 1.00 1.44
ARG30 HD3 1.00 0.404 0.00 0.00

Detailed Probabilities of ARG(30)-H:

Overall probability: 0.929
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL29 0.80 1.00
ARG30 1.00 1.00
ASP31 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V29HG11 0.98
V29H 1.00
V29HB 1.00
V29HA 1.00
R30HA 1.00
R30HB2 1.00
R30HB3 1.00
R30HG2 1.00
R30HG3 1.00
R30H 1.00
D31H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL29 HA 1.00 0.005 1.00 1.04
VAL29 HB 1.00 0.004 1.00 0.11
VAL29 HG11 0.98 0.001 1.00 0.61
VAL29 H 1.00 0.043 0.00 0.00
VAL29 HG21 0.94 0.012 1.00 0.22
ARG30 HA 1.00 0.013 1.00 0.48
ARG30 HB2 1.00 0.006 1.00 0.08
ARG30 HB3 1.00 0.006 1.00 0.13
ARG30 HG2 1.00 0.006 1.00 0.11
ARG30 HG3 1.00 0.006 1.00 0.11
ARG30 H 1.00 0.006 1.00 -4695212.00
ARG30 HD2 0.87 0.002 1.00 0.06
ASP31 H 1.00 0.000 1.00 -147164.00
ASP31 HA 0.84 0.010 1.00 0.07