ARECA's report on LEU55

Residue probability: 0.797
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.473 177.056 1.929 0.000 0.000
CA 57.831 55.735 3.802 0.501 1.000
CB 41.811 42.389 3.750 1.000 1.000
CG 27.193 26.892 3.086 0.750 1.000
CD1 26.807 24.837 3.657 0.814 1.000
CD2 24.046 24.201 3.117 0.714 1.000
N 121.646 121.785 4.943 1.000 1.000
HA 4.026 4.315 0.840 0.846 1.000
HB2 1.870 1.601 0.373 0.750 1.000
HB3 0.914 1.508 0.398 0.963 1.000
HG 1.695 1.510 0.340 1.000 1.000
HD1 0.643 0.739 0.294 0.668 1.000
HD2 0.717 0.727 0.421 0.429 1.000
H 8.106 8.237 0.647 0.933 1.000

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Detailed Probabilities of LEU(55)-CA:

Overall probability: 0.501
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 1.00 1.00
LEU55 0.57 1.00
PHE56 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55HD11 0.99
L55HD21 0.99
L55H 1.00
L55HA 1.00
F56HA 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.001 1.00 36.36
LEU55 HA 1.00 0.026 1.00 36.36
LEU55 HB2 1.00 0.128 0.00 0.00
LEU55 HB3 1.00 0.006 1.00 0.89
LEU55 HG 1.00 0.001 1.00 1.04
LEU55 HD11 0.99 0.083 0.01 0.00
LEU55 HD21 0.99 0.009 1.00 1.82
LEU55 H 1.00 0.169 0.00 0.00
PHE56 HA 1.00 0.094 0.00 0.00
PHE56 H 1.00 0.403 0.00 0.00

Detailed Probabilities of LEU(55)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 1.00 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HB2 1.00
L55HG 1.00
L55HD11 1.00
L55HD21 1.00
L55H 1.00
L55HB3 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.002 1.00 0.28
LEU55 HB2 1.00 0.000 1.00 0.93
LEU55 HB3 1.00 0.000 1.00 1.35
LEU55 HG 1.00 0.000 1.00 0.25
LEU55 HD11 1.00 0.012 1.00 0.46
LEU55 HD21 1.00 0.001 1.00 0.49
LEU55 H 1.00 0.004 1.00 0.28
PHE56 H 1.00 0.002 1.00 0.09

Detailed Probabilities of LEU(55)-CG:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.71 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HB2 1.00
L55HB3 1.00
L55HD11 1.00
L55HD21 1.00
L55H 1.00
L55HG 1.00
F56H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.015 1.00 0.46
LEU55 HB2 1.00 0.065 0.00 0.00
LEU55 HB3 1.00 0.002 1.00 3.90
LEU55 HG 1.00 0.015 1.00 27.01
LEU55 HD11 1.00 0.003 1.00 1.19
LEU55 HD21 1.00 0.077 0.00 0.00
LEU55 H 1.00 0.007 1.00 0.40
PHE56 H 0.98 0.020 1.00 0.12

Detailed Probabilities of LEU(55)-CD1:

Overall probability: 0.814
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.81 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 0.99
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55HD12 1.00
L55HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 0.99 0.007 1.00 0.20
LEU55 HB2 1.00 0.001 1.00 0.75
LEU55 HB3 1.00 0.033 0.70 0.00
LEU55 HG 1.00 0.006 1.00 1.39
LEU55 HD11 1.00 0.001 1.00 22.31
LEU55 HD21 1.00 0.075 0.00 0.00
LEU55 H 0.86 0.006 1.00 0.42

Detailed Probabilities of LEU(55)-CD2:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 0.99
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55HD11 1.00
L55HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 0.99 0.001 1.00 1.87
LEU55 HB2 1.00 0.007 1.00 0.80
LEU55 HB3 1.00 0.003 1.00 1.98
LEU55 HG 1.00 0.004 1.00 1.49
LEU55 HD11 1.00 0.142 0.00 0.00
LEU55 HD21 1.00 0.200 0.00 0.00
LEU55 H 0.85 0.012 1.00 0.45

Detailed Probabilities of LEU(55)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 1.00 1.00
LEU55 1.00 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HG3 0.97
Q54HB3 1.00
Q54HA 1.00
Q54H 1.00
Q54HG2 0.98
Q54HB2 1.00
L55HA 1.00
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55H 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.018 1.00 -1352144.00
GLN54 HB2 1.00 0.004 1.00 -1308744.00
GLN54 HB3 1.00 0.005 1.00 -1308744.00
GLN54 HG2 0.98 0.008 1.00 -204650.00
GLN54 HG3 0.97 0.002 1.00 -168818.00
GLN54 H 1.00 0.001 1.00 -1558464.00
LEU55 HA 1.00 0.007 1.00 -1352144.00
LEU55 HB2 1.00 0.000 1.00 -1666195.00
LEU55 HB3 1.00 0.000 1.00 -1228582.00
LEU55 HG 1.00 0.004 1.00 -1797062.00
LEU55 H 1.00 0.006 1.00 -13248205.00
LEU55 HD21 0.87 0.022 1.00 -966498.00
PHE56 H 1.00 0.000 1.00 -1281504.00
PHE56 HB2 0.58 0.003 1.00 -118494.00

Detailed Probabilities of LEU(55)-HA:

Overall probability: 0.846
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.75 1.00
LEU55 1.00 1.00
PHE56 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55HD11 0.99
L55HD21 0.99
L55H 1.00
L55HA 1.00
F56HA 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.362 0.00 0.00
GLN54 HB2 0.72 0.027 1.00 1.17
GLN54 HB3 0.87 0.027 1.00 1.17
GLN54 H 0.94 0.027 1.00 -1374715.00
LEU55 HA 1.00 0.026 1.00 36.36
LEU55 HB2 1.00 0.001 1.00 0.23
LEU55 HB3 1.00 0.002 1.00 0.28
LEU55 HG 1.00 0.015 1.00 0.46
LEU55 HD11 0.99 0.007 1.00 0.20
LEU55 HD21 0.99 0.001 1.00 1.87
LEU55 H 1.00 0.007 1.00 -1352144.00
PHE56 HA 1.00 0.082 0.00 0.00
PHE56 H 1.00 0.011 1.00 -586650.00

Detailed Probabilities of LEU(55)-HB2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.71 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HB3 1.00
L55HG 1.00
L55HD11 1.00
L55HD21 1.00
L55H 1.00
L55HB2 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.128 0.00 0.00
LEU55 HB2 1.00 0.001 1.00 0.96
LEU55 HB3 1.00 0.000 1.00 0.93
LEU55 HG 1.00 0.065 0.00 0.00
LEU55 HD11 1.00 0.001 1.00 0.75
LEU55 HD21 1.00 0.007 1.00 0.80
LEU55 H 1.00 0.000 1.00 -1666195.00
PHE56 H 1.00 0.003 1.00 -820025.00

Detailed Probabilities of LEU(55)-HB3:

Overall probability: 0.963
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.96 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HB2 1.00
L55HG 1.00
L55HD11 1.00
L55HD21 1.00
L55H 1.00
L55HB3 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.006 1.00 0.89
LEU55 HB2 1.00 0.000 1.00 1.05
LEU55 HB3 1.00 0.000 1.00 1.35
LEU55 HG 1.00 0.002 1.00 3.90
LEU55 HD11 1.00 0.033 0.70 0.00
LEU55 HD21 1.00 0.003 1.00 1.98
LEU55 H 1.00 0.000 1.00 -1228582.00
PHE56 H 1.00 0.001 1.00 -551773.00

Detailed Probabilities of LEU(55)-HG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 1.00 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HB2 1.00
L55HB3 1.00
L55HD11 1.00
L55HD21 1.00
L55H 1.00
L55HG 1.00
F56H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.001 1.00 1.04
LEU55 HB2 1.00 0.000 1.00 0.25
LEU55 HB3 1.00 0.000 1.00 0.25
LEU55 HG 1.00 0.015 1.00 27.01
LEU55 HD11 1.00 0.006 1.00 1.39
LEU55 HD21 1.00 0.004 1.00 1.49
LEU55 H 1.00 0.004 1.00 -1797062.00
PHE56 H 0.98 0.001 1.00 -374811.00

Detailed Probabilities of LEU(55)-HD11:

Overall probability: 0.668
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 0.99
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55HD12 1.00
L55HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 0.99 0.083 0.01 0.00
LEU55 HB2 1.00 0.001 1.00 0.47
LEU55 HB3 1.00 0.012 1.00 0.46
LEU55 HG 1.00 0.003 1.00 1.19
LEU55 HD11 1.00 0.001 1.00 22.31
LEU55 HD21 1.00 0.142 0.00 0.00

Detailed Probabilities of LEU(55)-HD21:

Overall probability: 0.429
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.43 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 0.99
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55HD11 1.00
L55HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 0.99 0.009 1.00 1.82
LEU55 HB2 1.00 0.073 0.00 0.00
LEU55 HB3 1.00 0.001 1.00 0.49
LEU55 HG 1.00 0.077 0.00 0.00
LEU55 HD11 1.00 0.075 0.00 0.00
LEU55 HD21 1.00 0.200 0.00 0.00
LEU55 H 0.85 0.022 1.00 -966498.00

Detailed Probabilities of LEU(55)-H:

Overall probability: 0.933
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 1.00 1.00
LEU55 0.86 1.00
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HG3 0.97
Q54HB3 1.00
Q54HA 1.00
Q54H 1.00
Q54HG2 0.98
Q54HB2 1.00
L55HA 1.00
L55HB2 1.00
L55HB3 1.00
L55HG 1.00
L55H 1.00
F56H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.002 1.00 0.30
GLN54 HB2 1.00 0.006 1.00 0.41
GLN54 HB3 1.00 0.006 1.00 0.41
GLN54 HG2 0.98 0.000 1.00 0.13
GLN54 HG3 0.97 0.006 1.00 0.11
GLN54 H 1.00 0.005 1.00 -1668657.00
LEU55 HA 1.00 0.169 0.00 0.00
LEU55 HB2 1.00 0.004 1.00 0.31
LEU55 HB3 1.00 0.004 1.00 0.28
LEU55 HG 1.00 0.007 1.00 0.40
LEU55 H 1.00 0.006 1.00 -13248205.00
LEU55 HD11 0.88 0.006 1.00 0.42
LEU55 HD21 0.87 0.012 1.00 0.45
PHE56 H 1.00 0.007 1.00 -1647418.00
PHE56 HB2 0.58 0.012 1.00 0.06