ARECA's report on LEU80

Residue probability: 0.789
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.503 177.056 1.929 0.000 0.000
CA 53.998 55.735 3.802 0.700 1.000
CB 45.667 42.389 3.750 0.850 1.000
CG 28.308 26.892 3.086 0.375 1.000
CD1 25.505 24.837 3.657 0.714 1.000
CD2 27.658 24.201 3.117 1.000 1.000
N 123.959 121.785 4.943 0.862 1.000
HA 5.546 4.315 0.840 1.000 1.000
HB2 1.753 1.601 0.373 0.556 1.000
HB3 1.288 1.508 0.398 0.625 1.000
HG 1.441 1.510 0.340 1.000 1.000
HD1 0.775 0.739 0.294 0.857 1.000
HD2 0.776 0.727 0.421 0.857 1.000
H 8.601 8.237 0.647 0.857 1.000

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Detailed Probabilities of LEU(80)-CA:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 0.00 1.00
LEU80 0.71 1.00
LEU81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 0.99
L80HD21 0.99
L80H 1.00
L80HA 1.00
L81H 1.00
L81HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.627 0.00 0.00
LEU80 HA 1.00 0.020 1.00 3.39
LEU80 HB2 1.00 0.177 0.00 0.00
LEU80 HB3 1.00 0.004 1.00 0.32
LEU80 HG 1.00 0.026 1.00 0.52
LEU80 HD11 0.99 0.001 1.00 0.98
LEU80 HD21 0.99 0.000 1.00 0.98
LEU80 H 1.00 0.465 0.00 0.00
LEU81 HA 1.00 0.012 1.00 0.13
LEU81 H 1.00 0.003 1.00 1.18

Detailed Probabilities of LEU(80)-CB:

Overall probability: 0.850
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00
LEU81 0.32 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 1.00
L80HD21 1.00
L80H 1.00
L80HB2 1.00
L81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.002 1.00 0.26
LEU80 HB2 1.00 0.010 1.00 2.14
LEU80 HB3 1.00 0.024 1.00 1.49
LEU80 HG 1.00 0.003 1.00 0.62
LEU80 HD11 1.00 0.004 1.00 1.17
LEU80 HD21 1.00 0.003 1.00 1.17
LEU80 H 1.00 0.003 1.00 0.37
LEU81 H 1.00 0.048 0.00 0.00
LEU81 HA 0.65 0.034 0.65 0.00

Detailed Probabilities of LEU(80)-CG:

Overall probability: 0.375
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.29 1.00
LEU81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HD11 1.00
L80HD21 1.00
L80H 1.00
L80HG 1.00
L81H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.001 1.00 0.12
LEU80 HB2 1.00 0.061 0.00 0.00
LEU80 HB3 1.00 0.171 0.00 0.00
LEU80 HG 1.00 0.018 1.00 12.32
LEU80 HD11 1.00 0.055 0.00 0.00
LEU80 HD21 1.00 0.056 0.00 0.00
LEU80 H 1.00 0.055 0.00 0.00
LEU81 H 0.98 0.019 1.00 0.21

Detailed Probabilities of LEU(80)-CD1:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 0.99
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD12 1.00
L80HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 0.99 0.005 1.00 0.66
LEU80 HB2 1.00 0.135 0.00 0.00
LEU80 HB3 1.00 0.083 0.00 0.00
LEU80 HG 1.00 0.013 1.00 3.62
LEU80 HD11 1.00 0.022 1.00 119.01
LEU80 HD21 1.00 0.023 1.00 119.01
LEU80 H 0.86 0.028 1.00 0.27

Detailed Probabilities of LEU(80)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 0.99
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 1.00
L80HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 0.99 0.004 1.00 0.13
LEU80 HB2 1.00 0.008 1.00 0.71
LEU80 HB3 1.00 0.014 1.00 0.56
LEU80 HG 1.00 0.009 1.00 1.07
LEU80 HD11 1.00 0.005 1.00 32.30
LEU80 HD21 1.00 0.004 1.00 32.30
LEU80 H 0.85 0.001 1.00 0.08

Detailed Probabilities of LEU(80)-N:

Overall probability: 0.862
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 0.80 1.00
LEU80 1.00 1.00
LEU81 0.64 1.00

Expected NOESY Contacts
Proton Expected probability
F79HB2 1.00
F79H 1.00
F79HB3 1.00
F79HA 1.00
L80HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80H 1.00
L81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.000 1.00 -931742.00
PHE79 HB2 1.00 0.016 1.00 -112842.00
PHE79 HB3 1.00 0.001 1.00 -221876.00
PHE79 H 1.00 0.230 0.00 0.00
PHE79 HD1 0.77 0.004 1.00 -72935.00
LEU80 HA 1.00 0.000 1.00 -211200.00
LEU80 HB2 1.00 0.003 1.00 -476455.00
LEU80 HB3 1.00 0.000 1.00 -349050.00
LEU80 HG 1.00 0.020 1.00 -273862.00
LEU80 H 1.00 0.003 1.00 -3584513.00
LEU80 HD11 0.88 0.003 1.00 -326912.00
LEU80 HD21 0.87 0.002 1.00 -326912.00
LEU81 H 1.00 0.459 0.00 0.00
LEU81 HA 0.93 0.032 0.93 0.00
LEU81 HB2 0.64 0.013 1.00 -198518.00

Detailed Probabilities of LEU(80)-HA:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00
LEU80 1.00 1.00
LEU81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 0.99
L80HD21 0.99
L80H 1.00
L80HA 1.00
L81H 1.00
L81HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.004 1.00 0.08
LEU80 HA 1.00 0.020 1.00 3.39
LEU80 HB2 1.00 0.002 1.00 0.26
LEU80 HB3 1.00 0.005 1.00 0.28
LEU80 HG 1.00 0.001 1.00 0.12
LEU80 HD11 0.99 0.005 1.00 0.66
LEU80 HD21 0.99 0.004 1.00 0.13
LEU80 H 1.00 0.000 1.00 -211200.00
LEU81 HA 1.00 0.015 1.00 0.14
LEU81 H 1.00 0.003 1.00 -1579949.00

Detailed Probabilities of LEU(80)-HB2:

Overall probability: 0.556
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.43 1.00
LEU81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 1.00
L80HD21 1.00
L80H 1.00
L80HB2 1.00
L81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.177 0.00 0.00
LEU80 HB2 1.00 0.010 1.00 2.14
LEU80 HB3 1.00 0.309 0.00 0.00
LEU80 HG 1.00 0.061 0.00 0.00
LEU80 HD11 1.00 0.135 0.00 0.00
LEU80 HD21 1.00 0.008 1.00 0.71
LEU80 H 1.00 0.003 1.00 -476455.00
LEU81 H 1.00 0.006 1.00 -200418.00
LEU81 HA 0.65 0.003 1.00 0.14

Detailed Probabilities of LEU(80)-HB3:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.71 1.00
LEU81 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L80HB2 1.00
L80HG 1.00
L80HD11 1.00
L80HD21 1.00
L80H 1.00
L80HB3 1.00
L81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.004 1.00 0.32
LEU80 HB2 1.00 0.024 1.00 1.49
LEU80 HB3 1.00 0.002 1.00 1.66
LEU80 HG 1.00 0.171 0.00 0.00
LEU80 HD11 1.00 0.083 0.00 0.00
LEU80 HD21 1.00 0.014 1.00 0.56
LEU80 H 1.00 0.000 1.00 -349050.00
LEU81 H 1.00 0.058 0.00 0.00

Detailed Probabilities of LEU(80)-HG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00
LEU81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HD11 1.00
L80HD21 1.00
L80H 1.00
L80HG 1.00
L81H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.026 1.00 0.52
LEU80 HB2 1.00 0.003 1.00 0.62
LEU80 HB3 1.00 0.003 1.00 0.57
LEU80 HG 1.00 0.018 1.00 12.32
LEU80 HD11 1.00 0.013 1.00 3.62
LEU80 HD21 1.00 0.009 1.00 1.07
LEU80 H 1.00 0.020 1.00 -273862.00
LEU81 H 0.98 0.022 1.00 -352536.00

Detailed Probabilities of LEU(80)-HD11:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 0.99
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD12 1.00
L80HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 0.99 0.001 1.00 0.98
LEU80 HB2 1.00 0.004 1.00 1.17
LEU80 HB3 1.00 0.003 1.00 1.07
LEU80 HG 1.00 0.055 0.00 0.00
LEU80 HD11 1.00 0.022 1.00 119.01
LEU80 HD21 1.00 0.005 1.00 32.30
LEU80 H 0.86 0.003 1.00 -326912.00

Detailed Probabilities of LEU(80)-HD21:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 0.99
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 1.00
L80HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 0.99 0.000 1.00 0.98
LEU80 HB2 1.00 0.003 1.00 1.17
LEU80 HB3 1.00 0.002 1.00 1.07
LEU80 HG 1.00 0.056 0.00 0.00
LEU80 HD11 1.00 0.023 1.00 119.01
LEU80 HD21 1.00 0.004 1.00 32.30
LEU80 H 0.85 0.002 1.00 -326912.00

Detailed Probabilities of LEU(80)-H:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00
LEU80 0.71 1.00
LEU81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HB2 1.00
F79H 1.00
F79HB3 1.00
F79HA 1.00
L80HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80H 1.00
L81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.002 1.00 0.95
PHE79 HB2 1.00 0.007 1.00 0.08
PHE79 HB3 1.00 0.003 1.00 0.07
PHE79 H 1.00 0.001 1.00 -131885.00
PHE79 HD1 0.77 0.015 1.00 0.17
LEU80 HA 1.00 0.465 0.00 0.00
LEU80 HB2 1.00 0.003 1.00 0.37
LEU80 HB3 1.00 0.003 1.00 0.31
LEU80 HG 1.00 0.055 0.00 0.00
LEU80 H 1.00 0.003 1.00 -3584513.00
LEU80 HD11 0.88 0.028 1.00 0.27
LEU80 HD21 0.87 0.001 1.00 0.08
LEU81 H 1.00 0.022 1.00 -219742.00
LEU81 HB2 0.64 0.020 1.00 0.07