ARECA's report on VAL117

Residue probability: 0.733
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.746 175.682 2.367 0.000 0.000
CA 67.505 62.613 4.828 0.818 1.000
CB 30.753 32.918 4.591 0.667 1.000
CG1 21.310 21.563 2.746 0.338 1.000
CG2 23.986 21.368 2.801 0.780 1.000
N 120.234 121.057 5.832 0.925 1.000
HA 3.260 4.178 0.599 0.778 1.000
HB 2.047 1.980 0.322 0.857 1.000
HG1 0.721 0.816 0.264 0.833 1.000
HG2 0.865 0.803 0.504 0.580 1.000
H 8.121 8.311 0.669 0.750 1.000

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Detailed Probabilities of VAL(117)-CA:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.75 1.00
VAL117 1.00 1.00
ARG118 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
V117HG11 1.00
V117HG21 1.00
V117H 1.00
V117HB 1.00
V117HA 1.00
R118HA 1.00
R118H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.198 0.00 0.00
ILE116 HB 0.89 0.006 1.00 0.06
ILE116 HG21 0.67 0.003 1.00 0.17
ILE116 H 0.92 0.025 1.00 0.19
VAL117 HA 1.00 0.002 1.00 4.70
VAL117 HB 1.00 0.010 1.00 0.35
VAL117 HG11 1.00 0.008 1.00 1.01
VAL117 HG21 1.00 0.005 1.00 1.16
VAL117 H 1.00 0.008 1.00 0.50
ARG118 HA 1.00 0.076 0.00 0.00
ARG118 H 1.00 0.003 1.00 0.19

Detailed Probabilities of VAL(117)-CB:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL117 0.60 1.00
ARG118 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V117HA 1.00
V117HG11 1.00
V117HG21 1.00
V117H 1.00
V117HB 1.00
R118H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL117 HA 1.00 0.002 1.00 0.27
VAL117 HB 1.00 0.452 0.00 0.00
VAL117 HG11 1.00 0.007 1.00 1.49
VAL117 HG21 1.00 0.598 0.00 0.00
VAL117 H 1.00 0.009 1.00 0.91
ARG118 H 1.00 0.000 1.00 0.45

Detailed Probabilities of VAL(117)-CG1:

Overall probability: 0.338
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL117 0.40 1.00
ARG118 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
V117HA 1.00
V117HG12 1.00
V117HG21 1.00
V117H 1.00
V117HB 1.00
R118H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL117 HA 1.00 0.000 1.00 0.93
VAL117 HB 1.00 0.010 1.00 1.87
VAL117 HG11 1.00 0.286 0.00 0.00
VAL117 HG21 1.00 0.430 0.00 0.00
VAL117 H 1.00 0.203 0.00 0.00
ARG118 H 0.97 0.298 0.03 0.00

Detailed Probabilities of VAL(117)-CG2:

Overall probability: 0.780
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL117 0.78 1.00

Expected NOESY Contacts
Proton Expected probability
V117HA 1.00
V117HG11 1.00
V117HG22 1.00
V117H 1.00
V117HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL117 HA 1.00 0.001 1.00 1.35
VAL117 HB 1.00 0.007 1.00 1.53
VAL117 HG11 1.00 0.010 1.00 6.88
VAL117 HG21 1.00 0.031 0.90 0.00
VAL117 H 1.00 1.332 0.00 0.00

Detailed Probabilities of VAL(117)-N:

Overall probability: 0.925
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.84 1.00
VAL117 1.00 1.00
ARG118 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I116HG21 0.99
I116HA 1.00
I116H 1.00
I116HG12 0.98
I116HB 1.00
V117HA 1.00
V117HG11 1.00
V117HG21 1.00
V117HB 1.00
V117H 1.00
R118H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.005 1.00 -199285.00
ILE116 HB 1.00 0.001 1.00 -892233.00
ILE116 HG12 0.98 0.047 0.02 0.00
ILE116 HG21 0.99 0.002 1.00 -385811.00
ILE116 H 1.00 0.024 1.00 -1466097.00
ILE116 HG13 0.92 0.013 1.00 -143441.00
VAL117 HA 1.00 0.030 1.00 0.00
VAL117 HB 1.00 0.008 1.00 -2103946.00
VAL117 HG11 1.00 0.029 1.00 -903569.00
VAL117 HG21 1.00 0.002 1.00 -2339844.00
VAL117 H 1.00 0.008 1.00 -16420475.00
ARG118 H 1.00 0.002 1.00 -1466097.00
ARG118 HA 0.92 0.012 1.00 -608202.00

Detailed Probabilities of VAL(117)-HA:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.50 1.00
VAL117 1.00 1.00
ARG118 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
V117HG11 1.00
V117HG21 1.00
V117H 1.00
V117HB 1.00
V117HA 1.00
R118HA 1.00
R118H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.202 0.00 0.00
ILE116 HG21 0.67 0.000 1.00 0.08
VAL117 HA 1.00 0.002 1.00 4.70
VAL117 HB 1.00 0.002 1.00 0.27
VAL117 HG11 1.00 0.000 1.00 0.93
VAL117 HG21 1.00 0.001 1.00 1.35
VAL117 H 1.00 0.030 1.00 0.00
ARG118 HA 1.00 0.106 0.00 0.00
ARG118 H 1.00 0.008 1.00 -135406.00

Detailed Probabilities of VAL(117)-HB:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL117 0.80 1.00
ARG118 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V117HA 1.00
V117HG11 1.00
V117HG21 1.00
V117H 1.00
V117HB 1.00
R118H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL117 HA 1.00 0.010 1.00 0.35
VAL117 HB 1.00 0.452 0.00 0.00
VAL117 HG11 1.00 0.010 1.00 1.87
VAL117 HG21 1.00 0.007 1.00 1.53
VAL117 H 1.00 0.008 1.00 -2103946.00
ARG118 H 1.00 0.009 1.00 -914064.00
ARG118 HA 0.82 0.023 1.00 0.44

Detailed Probabilities of VAL(117)-HG11:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL117 0.80 1.00
ARG118 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V117HA 1.00
V117HG12 1.00
V117HG21 1.00
V117H 1.00
V117HB 1.00
R118H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL117 HA 1.00 0.008 1.00 1.01
VAL117 HB 1.00 0.007 1.00 1.49
VAL117 HG11 1.00 0.286 0.00 0.00
VAL117 HG21 1.00 0.010 1.00 6.88
VAL117 H 1.00 0.029 1.00 -903569.00
ARG118 H 0.98 0.027 1.00 -670529.00

Detailed Probabilities of VAL(117)-HG21:

Overall probability: 0.580
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL117 0.58 1.00

Expected NOESY Contacts
Proton Expected probability
V117HA 1.00
V117HG11 1.00
V117HG22 1.00
V117H 1.00
V117HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL117 HA 1.00 0.005 1.00 1.16
VAL117 HB 1.00 0.598 0.00 0.00
VAL117 HG11 1.00 0.430 0.00 0.00
VAL117 HG21 1.00 0.031 0.90 0.00
VAL117 H 1.00 0.002 1.00 -2339844.00

Detailed Probabilities of VAL(117)-H:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 1.00 1.00
VAL117 0.60 1.00
ARG118 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I116HG21 0.99
I116HA 1.00
I116H 1.00
I116HG12 0.98
I116HB 1.00
V117HA 1.00
V117HG11 1.00
V117HG21 1.00
V117HB 1.00
V117H 1.00
R118H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.000 1.00 0.13
ILE116 HB 1.00 0.002 1.00 0.30
ILE116 HG12 0.98 0.001 1.00 0.07
ILE116 HG21 0.99 0.007 1.00 0.18
ILE116 H 1.00 0.000 1.00 -767490.00
VAL117 HA 1.00 0.008 1.00 0.50
VAL117 HB 1.00 0.009 1.00 0.91
VAL117 HG11 1.00 0.203 0.00 0.00
VAL117 HG21 1.00 1.332 0.00 0.00
VAL117 H 1.00 0.008 1.00 -16420475.00
ARG118 H 1.00 0.078 0.00 0.00
ARG118 HA 0.92 0.015 1.00 0.15