ARECA's report on PHE26

Residue probability: 0.895
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.132 175.508 2.010 0.000 0.000
CA 56.569 58.245 3.808 0.554 1.000
CB 40.191 40.078 3.616 0.889 1.000
CD1 132.068 131.234 9.579 1.000 1.000
CD2 132.294 131.352 9.581 1.000 1.000
CE1 130.578 130.599 3.219 1.000 1.000
CE2 130.600 130.633 2.839 0.715 1.000
CZ 128.974 129.042 3.448 1.000 1.000
N 123.189 120.315 4.931 0.871 1.000
HA 4.835 4.625 1.237 0.887 1.000
HB2 2.442 2.980 0.399 0.750 1.000
HB3 3.160 2.916 0.434 0.889 1.000
HD1 7.196 7.037 0.347 1.000 1.000
HD2 7.196 7.022 0.417 1.000 1.000
HE1 6.868 7.046 0.417 1.000 1.000
HE2 6.868 7.043 0.400 0.857 1.000
HZ 6.718 6.984 1.598 1.000 1.000
H 9.629 8.375 0.710 0.803 1.000

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Detailed Probabilities of PHE(26)-CA:

Overall probability: 0.554
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS25 0.33 1.00
PHE26 0.57 1.00
ILE27 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
K25HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 1.00
F26H 1.00
F26HA 1.00
I27H 1.00
I27HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS25 HA 1.00 0.045 0.00 0.00
LYS25 HB2 0.65 0.034 0.65 0.00
PHE26 HA 1.00 0.057 0.00 0.00
PHE26 HB2 1.00 0.113 0.00 0.00
PHE26 HB3 1.00 0.002 1.00 0.60
PHE26 HD1 1.00 0.001 1.00 0.09
PHE26 HD2 1.00 0.001 1.00 0.09
PHE26 H 1.00 0.125 0.00 0.00
PHE26 HE1 0.74 0.018 1.00 0.44
ILE27 HA 1.00 0.027 1.00 0.52
ILE27 H 1.00 0.106 0.00 0.00
ILE27 HB 0.53 0.022 1.00 0.24

Detailed Probabilities of PHE(26)-CB:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00
ILE27 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB2 1.00
F26HD1 1.00
F26HD2 1.00
F26HE2 1.00
F26H 1.00
F26HB3 1.00
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.003 1.00 0.21
PHE26 HB2 1.00 0.002 1.00 0.87
PHE26 HB3 1.00 0.008 1.00 0.88
PHE26 HD1 1.00 0.002 1.00 0.40
PHE26 HD2 1.00 0.002 1.00 0.40
PHE26 HE2 1.00 0.022 1.00 0.06
PHE26 H 1.00 0.002 1.00 0.20
PHE26 HE1 0.89 0.022 1.00 0.06
ILE27 H 1.00 0.095 0.00 0.00

Detailed Probabilities of PHE(26)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD2 1.00
F26HE1 1.00
F26HE2 1.00
F26HZ 1.00
F26H 1.00
F26HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.001 1.00 0.59
PHE26 HB2 1.00 0.006 1.00 0.09
PHE26 HB3 1.00 0.025 1.00 1.16
PHE26 HD1 1.00 0.006 1.00 41.74
PHE26 HD2 1.00 0.006 1.00 41.74
PHE26 HE1 1.00 0.001 1.00 1.88
PHE26 HE2 1.00 0.001 1.00 1.88
PHE26 HZ 1.00 0.003 1.00 0.33
PHE26 H 1.00 0.004 1.00 0.11

Detailed Probabilities of PHE(26)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HE1 1.00
F26HE2 1.00
F26HZ 1.00
F26H 0.99
F26HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.001 1.00 0.59
PHE26 HB2 1.00 0.006 1.00 0.09
PHE26 HB3 1.00 0.025 1.00 1.16
PHE26 HD1 1.00 0.006 1.00 41.74
PHE26 HD2 1.00 0.006 1.00 41.74
PHE26 HE1 1.00 0.001 1.00 1.88
PHE26 HE2 1.00 0.001 1.00 1.88
PHE26 HZ 1.00 0.003 1.00 0.33
PHE26 H 0.99 0.004 1.00 0.11

Detailed Probabilities of PHE(26)-CE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HD1 1.00
F26HD2 1.00
F26HE2 1.00
F26HZ 1.00
F26HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HD1 1.00 0.004 1.00 0.48
PHE26 HD2 1.00 0.004 1.00 0.48
PHE26 HE1 1.00 0.004 1.00 8.24
PHE26 HE2 1.00 0.004 1.00 8.24
PHE26 HZ 1.00 0.010 1.00 0.43
PHE26 HA 0.74 0.006 1.00 0.16

Detailed Probabilities of PHE(26)-CE2:

Overall probability: 0.715
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 1.00
F26HE1 1.00
F26HZ 1.00
F26HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HB2 1.00 0.128 0.00 0.00
PHE26 HB3 1.00 0.649 0.00 0.00
PHE26 HD1 1.00 0.004 1.00 0.48
PHE26 HD2 1.00 0.004 1.00 0.48
PHE26 HE1 1.00 0.004 1.00 8.24
PHE26 HE2 1.00 0.004 1.00 8.24
PHE26 HZ 1.00 0.010 1.00 0.43

Detailed Probabilities of PHE(26)-CZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HD1 1.00
F26HD2 1.00
F26HE1 1.00
F26HE2 1.00
F26HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HD1 1.00 0.003 1.00 0.32
PHE26 HD2 1.00 0.003 1.00 0.32
PHE26 HE1 1.00 0.001 1.00 0.54
PHE26 HE2 1.00 0.001 1.00 0.54
PHE26 HZ 1.00 0.004 1.00 1.22

Detailed Probabilities of PHE(26)-N:

Overall probability: 0.871
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS25 0.99 1.00
PHE26 1.00 1.00
ILE27 0.35 1.00

Expected NOESY Contacts
Proton Expected probability
K25HB3 1.00
K25HG3 0.96
K25HB2 1.00
K25HA 1.00
K25HG2 0.98
K25H 1.00
F26HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 0.99
F26H 1.00
I27HA 0.96
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS25 HA 1.00 0.011 1.00 -2530640.00
LYS25 HB2 1.00 0.014 1.00 -349291.00
LYS25 HB3 1.00 0.012 1.00 -246729.00
LYS25 HG2 0.98 0.029 1.00 -372844.00
LYS25 HG3 0.96 0.031 0.90 0.00
LYS25 H 1.00 0.003 1.00 -126048.00
LYS25 HD2 0.54 0.026 1.00 -349291.00
PHE26 HA 1.00 0.001 1.00 -2530640.00
PHE26 HB2 1.00 0.000 1.00 -456352.00
PHE26 HB3 1.00 0.006 1.00 -759883.00
PHE26 HD1 1.00 0.004 1.00 -929524.00
PHE26 HD2 0.99 0.004 1.00 -929524.00
PHE26 H 1.00 0.003 1.00 -6141046.00
ILE27 HA 0.96 0.142 0.04 0.00
ILE27 H 1.00 0.096 0.00 0.00
ILE27 HG13 0.53 0.007 1.00 -372844.00

Detailed Probabilities of PHE(26)-HA:

Overall probability: 0.887
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS25 1.00 1.00
PHE26 0.86 1.00
ILE27 0.84 1.00

Expected NOESY Contacts
Proton Expected probability
K25HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 1.00
F26H 1.00
F26HA 1.00
I27H 1.00
I27HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS25 HA 1.00 0.027 1.00 1.16
LYS25 HB2 0.65 0.003 1.00 0.40
LYS25 HB3 0.87 0.003 1.00 0.27
LYS25 H 0.92 0.001 1.00 -382156.00
PHE26 HA 1.00 0.057 0.00 0.00
PHE26 HB2 1.00 0.003 1.00 0.29
PHE26 HB3 1.00 0.003 1.00 0.21
PHE26 HD1 1.00 0.001 1.00 0.59
PHE26 HD2 1.00 0.001 1.00 0.59
PHE26 H 1.00 0.001 1.00 -2530640.00
PHE26 HE1 0.74 0.006 1.00 0.16
ILE27 HA 1.00 0.038 0.20 0.00
ILE27 H 1.00 0.005 1.00 -1414886.00
ILE27 HB 0.53 0.008 1.00 0.12
ILE27 HG12 0.53 0.001 1.00 0.14
ILE27 HG13 0.66 0.012 1.00 0.24

Detailed Probabilities of PHE(26)-HB2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.71 1.00
ILE27 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 1.00
F26HE2 1.00
F26H 1.00
F26HB2 1.00
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.113 0.00 0.00
PHE26 HB2 1.00 0.001 1.00 1.04
PHE26 HB3 1.00 0.002 1.00 0.87
PHE26 HD1 1.00 0.006 1.00 0.09
PHE26 HD2 1.00 0.006 1.00 0.09
PHE26 HE2 1.00 0.128 0.00 0.00
PHE26 H 1.00 0.000 1.00 -456352.00
ILE27 H 1.00 0.006 1.00 -158241.00

Detailed Probabilities of PHE(26)-HB3:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.86 1.00
ILE27 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB2 1.00
F26HD1 1.00
F26HD2 1.00
F26HE2 1.00
F26H 1.00
F26HB3 1.00
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.002 1.00 0.60
PHE26 HB2 1.00 0.006 1.00 0.91
PHE26 HB3 1.00 0.008 1.00 0.88
PHE26 HD1 1.00 0.025 1.00 1.16
PHE26 HD2 1.00 0.025 1.00 1.16
PHE26 HE2 1.00 0.649 0.00 0.00
PHE26 H 1.00 0.006 1.00 -759883.00
ILE27 H 1.00 0.008 1.00 -96537.00
ILE27 HA 0.83 0.015 1.00 0.48

Detailed Probabilities of PHE(26)-HD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD2 1.00
F26HE1 1.00
F26HE2 1.00
F26HZ 1.00
F26H 1.00
F26HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.001 1.00 0.09
PHE26 HB2 1.00 0.004 1.00 0.43
PHE26 HB3 1.00 0.002 1.00 0.40
PHE26 HD1 1.00 0.006 1.00 41.74
PHE26 HD2 1.00 0.006 1.00 41.74
PHE26 HE1 1.00 0.004 1.00 0.48
PHE26 HE2 1.00 0.004 1.00 0.48
PHE26 HZ 1.00 0.003 1.00 0.32
PHE26 H 1.00 0.004 1.00 -929524.00

Detailed Probabilities of PHE(26)-HD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HE1 1.00
F26HE2 1.00
F26HZ 1.00
F26H 0.99
F26HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.001 1.00 0.09
PHE26 HB2 1.00 0.004 1.00 0.43
PHE26 HB3 1.00 0.002 1.00 0.40
PHE26 HD1 1.00 0.006 1.00 41.74
PHE26 HD2 1.00 0.006 1.00 41.74
PHE26 HE1 1.00 0.004 1.00 0.48
PHE26 HE2 1.00 0.004 1.00 0.48
PHE26 HZ 1.00 0.003 1.00 0.32
PHE26 H 0.99 0.004 1.00 -929524.00

Detailed Probabilities of PHE(26)-HE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HD1 1.00
F26HD2 1.00
F26HE2 1.00
F26HZ 1.00
F26HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HD1 1.00 0.001 1.00 1.88
PHE26 HD2 1.00 0.001 1.00 1.88
PHE26 HE1 1.00 0.004 1.00 8.24
PHE26 HE2 1.00 0.004 1.00 8.24
PHE26 HZ 1.00 0.001 1.00 0.54
PHE26 HA 0.74 0.018 1.00 0.44
PHE26 HB3 0.89 0.022 1.00 0.06

Detailed Probabilities of PHE(26)-HE2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 1.00
F26HE1 1.00
F26HZ 1.00
F26HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HB2 1.00 0.324 0.00 0.00
PHE26 HB3 1.00 0.022 1.00 0.06
PHE26 HD1 1.00 0.001 1.00 1.88
PHE26 HD2 1.00 0.001 1.00 1.88
PHE26 HE1 1.00 0.004 1.00 8.24
PHE26 HE2 1.00 0.004 1.00 8.24
PHE26 HZ 1.00 0.001 1.00 0.54

Detailed Probabilities of PHE(26)-HZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26HD1 1.00
F26HD2 1.00
F26HE1 1.00
F26HE2 1.00
F26HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HD1 1.00 0.003 1.00 0.33
PHE26 HD2 1.00 0.003 1.00 0.33
PHE26 HE1 1.00 0.010 1.00 0.43
PHE26 HE2 1.00 0.010 1.00 0.43
PHE26 HZ 1.00 0.004 1.00 1.22

Detailed Probabilities of PHE(26)-H:

Overall probability: 0.803
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS25 0.86 1.00
PHE26 0.83 1.00
ILE27 0.52 1.00

Expected NOESY Contacts
Proton Expected probability
K25HB3 1.00
K25HG3 0.96
K25HB2 1.00
K25HA 1.00
K25HG2 0.98
K25H 1.00
F26HA 1.00
F26HB2 1.00
F26HB3 1.00
F26HD1 1.00
F26HD2 0.99
F26H 1.00
I27HA 0.96
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS25 HA 1.00 0.049 0.00 0.00
LYS25 HB2 1.00 0.006 1.00 0.12
LYS25 HB3 1.00 0.009 1.00 0.10
LYS25 HG2 0.98 0.009 1.00 0.10
LYS25 HG3 0.96 0.004 1.00 0.09
LYS25 H 1.00 0.012 1.00 -84489.00
LYS25 HD2 0.54 0.006 1.00 0.05
PHE26 HA 1.00 0.125 0.00 0.00
PHE26 HB2 1.00 0.002 1.00 0.17
PHE26 HB3 1.00 0.002 1.00 0.20
PHE26 HD1 1.00 0.004 1.00 0.11
PHE26 HD2 0.99 0.004 1.00 0.11
PHE26 H 1.00 0.003 1.00 -6141046.00
ILE27 HA 0.96 0.058 0.04 0.00
ILE27 H 1.00 0.001 1.00 -97592.00