ARECA's report on VAL64

Residue probability: 0.844
Residue probability confidence: 0.983

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 171.570 175.682 2.367 0.000 0.000
CA 60.699 62.613 4.828 0.444 1.000
CB 36.572 32.918 4.591 1.000 1.000
CG1 23.329 21.563 2.746 0.857 1.000
CG2 21.734 21.368 2.801 1.000 1.000
N 119.063 121.057 5.832 0.840 0.917
HA 4.760 4.178 0.599 0.750 1.000
HB 1.675 1.980 0.322 0.833 1.000
HG1 0.728 0.816 0.264 1.000 1.000
HG2 0.295 0.803 0.504 0.800 1.000
H 7.967 8.311 0.669 0.913 0.917

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Detailed Probabilities of VAL(64)-CA:

Overall probability: 0.444
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER63 0.00 1.00
VAL64 0.60 1.00
PHE65 0.33 1.00

Expected NOESY Contacts
Proton Expected probability
S63HA 1.00
V64HG11 1.00
V64HG21 1.00
V64H 1.00
V64HB 1.00
V64HA 1.00
F65H 1.00
F65HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER63 HA 1.00 0.118 0.00 0.00
VAL64 HA 1.00 0.344 0.00 0.00
VAL64 HB 1.00 0.007 1.00 0.81
VAL64 HG11 1.00 0.014 1.00 0.24
VAL64 HG21 1.00 0.101 0.00 0.00
VAL64 H 1.00 0.004 1.00 0.70
PHE65 HA 1.00 0.176 0.00 0.00
PHE65 H 1.00 0.088 0.00 0.00
PHE65 HB2 0.52 0.014 1.00 0.72

Detailed Probabilities of VAL(64)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL64 1.00 1.00
PHE65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V64HA 1.00
V64HG11 1.00
V64HG21 1.00
V64H 1.00
V64HB 1.00
F65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL64 HA 1.00 0.020 1.00 0.30
VAL64 HB 1.00 0.004 1.00 5.33
VAL64 HG11 1.00 0.003 1.00 1.40
VAL64 HG21 1.00 0.004 1.00 1.49
VAL64 H 1.00 0.003 1.00 0.56
PHE65 H 1.00 0.010 1.00 0.10

Detailed Probabilities of VAL(64)-CG1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL64 0.80 1.00
PHE65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V64HA 1.00
V64HG12 1.00
V64HG21 1.00
V64H 1.00
V64HB 1.00
F65H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL64 HA 1.00 0.016 1.00 0.91
VAL64 HB 1.00 0.117 0.00 0.00
VAL64 HG11 1.00 0.004 1.00 47.71
VAL64 HG21 1.00 0.005 1.00 2.99
VAL64 H 1.00 0.004 1.00 0.21
PHE65 H 0.98 0.006 1.00 0.68
PHE65 HA 0.60 0.004 1.00 0.08

Detailed Probabilities of VAL(64)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL64 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V64HA 1.00
V64HG11 1.00
V64HG22 1.00
V64H 1.00
V64HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL64 HA 1.00 0.016 1.00 1.01
VAL64 HB 1.00 0.004 1.00 1.86
VAL64 HG11 1.00 0.002 1.00 3.40
VAL64 HG21 1.00 0.004 1.00 58.75
VAL64 H 1.00 0.005 1.00 0.54

Detailed Probabilities of VAL(64)-N:

Overall probability: 0.840
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER63 0.83 0.80
VAL64 1.00 1.00
PHE65 0.47 1.00

Expected NOESY Contacts
Proton Expected probability
S63HB3 1.00
S63HA 1.00
S63HB2 1.00
S63HG 0.96
S63H 1.00
V64HA 1.00
V64HG11 1.00
V64HG21 1.00
V64HB 1.00
V64H 1.00
F65H 1.00
F65HA 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER63 HA 1.00 0.006 1.00 -1946628.00
SER63 HB2 1.00 0.003 1.00 -964557.00
SER63 HB3 1.00 0.037 0.30 0.00
SER63 H 1.00 0.001 1.00 -176410.00
VAL64 HA 1.00 0.017 1.00 -600889.00
VAL64 HB 1.00 0.000 1.00 -937916.00
VAL64 HG11 1.00 0.003 1.00 -487695.00
VAL64 HG21 1.00 0.007 1.00 -855998.00
VAL64 H 1.00 0.018 1.00 -21352072.00
PHE65 HA 0.96 0.370 0.04 0.00
PHE65 H 1.00 0.031 0.90 0.00

Detailed Probabilities of VAL(64)-HA:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER63 1.00 1.00
VAL64 0.80 1.00
PHE65 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
S63HA 1.00
V64HG11 1.00
V64HG21 1.00
V64H 1.00
V64HB 1.00
V64HA 1.00
F65H 1.00
F65HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER63 HA 1.00 0.013 1.00 0.27
VAL64 HA 1.00 0.344 0.00 0.00
VAL64 HB 1.00 0.020 1.00 0.30
VAL64 HG11 1.00 0.016 1.00 0.91
VAL64 HG21 1.00 0.016 1.00 1.01
VAL64 H 1.00 0.017 1.00 -600889.00
PHE65 HA 1.00 0.063 0.00 0.00
PHE65 H 1.00 0.017 1.00 -2852962.00

Detailed Probabilities of VAL(64)-HB:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL64 0.80 1.00
PHE65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V64HA 1.00
V64HG11 1.00
V64HG21 1.00
V64H 1.00
V64HB 1.00
F65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL64 HA 1.00 0.007 1.00 0.81
VAL64 HB 1.00 0.004 1.00 5.33
VAL64 HG11 1.00 0.117 0.00 0.00
VAL64 HG21 1.00 0.004 1.00 1.86
VAL64 H 1.00 0.000 1.00 -937916.00
PHE65 H 1.00 0.003 1.00 -239279.00

Detailed Probabilities of VAL(64)-HG11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL64 1.00 1.00
PHE65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V64HA 1.00
V64HG12 1.00
V64HG21 1.00
V64H 1.00
V64HB 1.00
F65H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL64 HA 1.00 0.014 1.00 0.24
VAL64 HB 1.00 0.003 1.00 1.40
VAL64 HG11 1.00 0.004 1.00 47.71
VAL64 HG21 1.00 0.002 1.00 3.40
VAL64 H 1.00 0.003 1.00 -487695.00
PHE65 H 0.98 0.004 1.00 -1550190.00
PHE65 HA 0.60 0.016 1.00 0.15

Detailed Probabilities of VAL(64)-HG21:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL64 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
V64HA 1.00
V64HG11 1.00
V64HG22 1.00
V64H 1.00
V64HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL64 HA 1.00 0.101 0.00 0.00
VAL64 HB 1.00 0.004 1.00 1.49
VAL64 HG11 1.00 0.005 1.00 2.99
VAL64 HG21 1.00 0.004 1.00 58.75
VAL64 H 1.00 0.007 1.00 -855998.00

Detailed Probabilities of VAL(64)-H:

Overall probability: 0.913
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER63 1.00 0.80
VAL64 1.00 1.00
PHE65 0.52 1.00

Expected NOESY Contacts
Proton Expected probability
S63HB3 1.00
S63HA 1.00
S63HB2 1.00
S63HG 0.96
S63H 1.00
V64HA 1.00
V64HG11 1.00
V64HG21 1.00
V64HB 1.00
V64H 1.00
F65H 1.00
F65HA 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER63 HA 1.00 0.007 1.00 1.24
SER63 HB2 1.00 0.004 1.00 0.69
SER63 HB3 1.00 0.003 1.00 0.55
SER63 H 1.00 0.001 1.00 -182335.00
VAL64 HA 1.00 0.004 1.00 0.70
VAL64 HB 1.00 0.003 1.00 0.56
VAL64 HG11 1.00 0.004 1.00 0.21
VAL64 HG21 1.00 0.005 1.00 0.54
VAL64 H 1.00 0.018 1.00 -21352072.00
PHE65 HA 0.96 0.410 0.04 0.00
PHE65 H 1.00 0.002 1.00 -163578.00