ARECA's report on VAL32

Residue probability: 0.792
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.114 175.682 2.367 0.000 0.000
CA 61.557 62.613 4.828 0.909 1.000
CB 33.884 32.918 4.591 0.571 1.000
CG1 21.735 21.563 2.746 0.833 1.000
CG2 21.142 21.368 2.801 0.800 1.000
N 120.426 121.057 5.832 0.909 1.000
HA 4.248 4.178 0.599 0.909 1.000
HB 1.776 1.980 0.322 0.857 1.000
HG1 0.867 0.816 0.264 1.000 1.000
HG2 0.763 0.803 0.504 0.400 1.000
H 8.441 8.311 0.669 0.727 1.000

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Detailed Probabilities of VAL(32)-CA:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP31 0.67 1.00
VAL32 1.00 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D31HA 1.00
V32HG11 1.00
V32HG21 1.00
V32H 1.00
V32HB 1.00
V32HA 1.00
N33HA 1.00
N33H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP31 HA 1.00 0.228 0.00 0.00
ASP31 HB2 0.58 0.018 1.00 0.16
ASP31 HB3 0.87 0.019 1.00 0.16
VAL32 HA 1.00 0.005 1.00 3.85
VAL32 HB 1.00 0.001 1.00 0.28
VAL32 HG11 1.00 0.003 1.00 0.79
VAL32 HG21 1.00 0.002 1.00 0.84
VAL32 H 1.00 0.001 1.00 0.22
ASN33 HA 1.00 0.005 1.00 0.10
ASN33 H 1.00 0.006 1.00 1.16
ASN33 HB2 0.56 0.024 1.00 0.09

Detailed Probabilities of VAL(32)-CB:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL32 0.40 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V32HA 1.00
V32HG11 1.00
V32HG21 1.00
V32H 1.00
V32HB 1.00
N33H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL32 HA 1.00 0.465 0.00 0.00
VAL32 HB 1.00 0.166 0.00 0.00
VAL32 HG11 1.00 0.001 1.00 1.38
VAL32 HG21 1.00 0.105 0.00 0.00
VAL32 H 1.00 0.001 1.00 0.45
ASN33 H 1.00 0.001 1.00 0.08
ASN33 HA 0.73 0.024 1.00 0.10

Detailed Probabilities of VAL(32)-CG1:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL32 0.80 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V32HA 1.00
V32HG12 1.00
V32HG21 1.00
V32H 1.00
V32HB 1.00
N33H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL32 HA 1.00 0.009 1.00 1.04
VAL32 HB 1.00 0.001 1.00 2.08
VAL32 HG11 1.00 0.012 1.00 78.79
VAL32 HG21 1.00 0.346 0.00 0.00
VAL32 H 1.00 0.004 1.00 0.24
ASN33 H 0.97 0.006 1.00 0.34

Detailed Probabilities of VAL(32)-CG2:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL32 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
V32HA 1.00
V32HG11 1.00
V32HG22 1.00
V32H 1.00
V32HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL32 HA 1.00 0.004 1.00 1.02
VAL32 HB 1.00 0.003 1.00 1.63
VAL32 HG11 1.00 0.003 1.00 5.90
VAL32 HG21 1.00 0.101 0.00 0.00
VAL32 H 1.00 0.003 1.00 0.52

Detailed Probabilities of VAL(32)-N:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP31 0.75 1.00
VAL32 1.00 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D31HA 1.00
D31HB3 1.00
D31H 1.00
D31HB2 1.00
V32HA 1.00
V32HG11 1.00
V32HG21 1.00
V32HB 1.00
V32H 1.00
N33H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP31 HA 1.00 0.003 1.00 -2249980.00
ASP31 HB2 1.00 0.006 1.00 -527467.00
ASP31 HB3 1.00 0.005 1.00 -527467.00
ASP31 H 1.00 0.064 0.00 0.00
VAL32 HA 1.00 0.003 1.00 -455209.00
VAL32 HB 1.00 0.002 1.00 -802177.00
VAL32 HG11 1.00 0.004 1.00 -408285.00
VAL32 HG21 1.00 0.014 1.00 -867899.00
VAL32 H 1.00 0.000 1.00 -7356552.00
ASN33 H 1.00 0.009 1.00 -142388.00
ASN33 HA 0.82 0.026 1.00 -276726.00

Detailed Probabilities of VAL(32)-HA:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP31 1.00 1.00
VAL32 0.80 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D31HA 1.00
V32HG11 1.00
V32HG21 1.00
V32H 1.00
V32HB 1.00
V32HA 1.00
N33HA 1.00
N33H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP31 HA 1.00 0.006 1.00 0.09
ASP31 HB2 0.58 0.002 1.00 0.05
ASP31 HB3 0.87 0.002 1.00 0.05
ASP31 H 0.91 0.009 1.00 -118246.00
VAL32 HA 1.00 0.005 1.00 3.85
VAL32 HB 1.00 0.465 0.00 0.00
VAL32 HG11 1.00 0.009 1.00 1.04
VAL32 HG21 1.00 0.004 1.00 1.02
VAL32 H 1.00 0.003 1.00 -455209.00
ASN33 HA 1.00 0.008 1.00 0.20
ASN33 H 1.00 0.003 1.00 -1976566.00

Detailed Probabilities of VAL(32)-HB:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL32 0.80 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V32HA 1.00
V32HG11 1.00
V32HG21 1.00
V32H 1.00
V32HB 1.00
N33H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL32 HA 1.00 0.001 1.00 0.28
VAL32 HB 1.00 0.166 0.00 0.00
VAL32 HG11 1.00 0.001 1.00 2.08
VAL32 HG21 1.00 0.003 1.00 1.63
VAL32 H 1.00 0.002 1.00 -802177.00
ASN33 H 1.00 0.010 1.00 -125025.00
ASN33 HA 0.73 0.006 1.00 0.19

Detailed Probabilities of VAL(32)-HG11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL32 1.00 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V32HA 1.00
V32HG12 1.00
V32HG21 1.00
V32H 1.00
V32HB 1.00
N33H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL32 HA 1.00 0.003 1.00 0.79
VAL32 HB 1.00 0.001 1.00 1.38
VAL32 HG11 1.00 0.012 1.00 78.79
VAL32 HG21 1.00 0.003 1.00 5.90
VAL32 H 1.00 0.004 1.00 -408285.00
ASN33 H 0.97 0.001 1.00 -477045.00
ASN33 HA 0.54 0.009 1.00 0.35

Detailed Probabilities of VAL(32)-HG21:

Overall probability: 0.400
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL32 0.40 1.00

Expected NOESY Contacts
Proton Expected probability
V32HA 1.00
V32HG11 1.00
V32HG22 1.00
V32H 1.00
V32HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL32 HA 1.00 0.002 1.00 0.84
VAL32 HB 1.00 0.105 0.00 0.00
VAL32 HG11 1.00 0.346 0.00 0.00
VAL32 HG21 1.00 0.101 0.00 0.00
VAL32 H 1.00 0.014 1.00 -867899.00

Detailed Probabilities of VAL(32)-H:

Overall probability: 0.727
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP31 0.25 1.00
VAL32 1.00 1.00
ASN33 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D31HA 1.00
D31HB3 1.00
D31H 1.00
D31HB2 1.00
V32HA 1.00
V32HG11 1.00
V32HG21 1.00
V32HB 1.00
V32H 1.00
N33H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP31 HA 1.00 0.002 1.00 1.35
ASP31 HB2 1.00 0.050 0.00 0.00
ASP31 HB3 1.00 0.050 0.00 0.00
ASP31 H 1.00 0.058 0.00 0.00
VAL32 HA 1.00 0.001 1.00 0.22
VAL32 HB 1.00 0.001 1.00 0.45
VAL32 HG11 1.00 0.004 1.00 0.24
VAL32 HG21 1.00 0.003 1.00 0.52
VAL32 H 1.00 0.000 1.00 -7356552.00
ASN33 H 1.00 0.005 1.00 -158315.00
ASN33 HA 0.82 0.023 1.00 0.30