ARECA's report on LEU82

Residue probability: 0.616
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.479 177.056 1.929 0.000 0.000
CA 53.135 55.735 3.802 0.360 1.000
CB 44.222 42.389 3.750 0.838 1.000
CG 26.760 26.892 3.086 0.777 1.000
CD1 26.011 24.837 3.657 0.001 1.000
CD2 23.860 24.201 3.117 0.500 1.000
N 124.888 121.785 4.943 0.929 1.000
HA 4.911 4.315 0.840 0.701 1.000
HB2 1.621 1.601 0.373 0.500 1.000
HB3 1.736 1.508 0.398 0.750 1.000
HG 1.598 1.510 0.340 0.400 1.000
HD1 0.778 0.739 0.294 0.657 1.000
HD2 0.825 0.727 0.421 0.667 1.000
H 8.864 8.237 0.647 0.923 1.000

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Detailed Probabilities of LEU(82)-CA:

Overall probability: 0.360
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.00 1.00
LEU82 0.51 1.00
GLN83 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82HD11 0.99
L82HD21 0.99
L82H 1.00
L82HA 1.00
Q83HA 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.048 0.00 0.00
LEU82 HA 1.00 0.007 1.00 3.01
LEU82 HB2 1.00 0.043 0.00 0.00
LEU82 HB3 1.00 0.028 1.00 0.39
LEU82 HG 1.00 0.066 0.00 0.00
LEU82 HD11 0.99 0.034 0.60 0.00
LEU82 HD21 0.99 0.013 1.00 1.41
LEU82 H 1.00 0.120 0.00 0.00
GLN83 HA 1.00 0.057 0.00 0.00
GLN83 H 1.00 0.129 0.00 0.00

Detailed Probabilities of LEU(82)-CB:

Overall probability: 0.838
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.96 1.00
GLN83 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 1.00
L82HB3 1.00
L82HG 1.00
L82HD11 1.00
L82HD21 1.00
L82H 1.00
L82HB2 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 1.00 0.002 1.00 0.19
LEU82 HB2 1.00 0.003 1.00 1.46
LEU82 HB3 1.00 0.001 1.00 0.79
LEU82 HG 1.00 0.020 1.00 1.46
LEU82 HD11 1.00 0.014 1.00 0.68
LEU82 HD21 1.00 0.033 0.70 0.00
LEU82 H 1.00 0.008 1.00 0.18
GLN83 H 1.00 0.435 0.00 0.00

Detailed Probabilities of LEU(82)-CG:

Overall probability: 0.777
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.89 1.00
GLN83 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 1.00
L82HB2 1.00
L82HB3 1.00
L82HD11 1.00
L82HD21 1.00
L82H 1.00
L82HG 1.00
Q83H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 1.00 0.008 1.00 0.09
LEU82 HB2 1.00 0.015 1.00 19.97
LEU82 HB3 1.00 0.029 1.00 2.53
LEU82 HG 1.00 0.038 0.20 0.00
LEU82 HD11 1.00 0.018 1.00 2.48
LEU82 HD21 1.00 0.029 1.00 2.48
LEU82 H 1.00 0.005 1.00 0.15
GLN83 H 0.98 0.104 0.02 0.00

Detailed Probabilities of LEU(82)-CD1:

Overall probability: 0.001
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 0.99
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82HD12 1.00
L82HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 0.99 0.103 0.01 0.00
LEU82 HB2 1.00 0.563 0.00 0.00
LEU82 HB3 1.00 0.448 0.00 0.00
LEU82 HG 1.00 0.586 0.00 0.00
LEU82 HD11 1.00 0.596 0.00 0.00
LEU82 HD21 1.00 0.643 0.00 0.00

Detailed Probabilities of LEU(82)-CD2:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 0.99
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82HD11 1.00
L82HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 0.99 0.003 1.00 1.01
LEU82 HB2 1.00 0.127 0.00 0.00
LEU82 HB3 1.00 0.012 1.00 0.73
LEU82 HG 1.00 0.150 0.00 0.00
LEU82 HD11 1.00 0.056 0.00 0.00
LEU82 HD21 1.00 0.009 1.00 44.16

Detailed Probabilities of LEU(82)-N:

Overall probability: 0.929
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.83 1.00
LEU82 1.00 1.00
GLN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HB3 1.00
L81HB2 1.00
L81HA 1.00
L81H 1.00
L81HG 0.98
L82HA 1.00
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82H 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.001 1.00 -1621019.00
LEU81 HB2 1.00 0.004 1.00 -134613.00
LEU81 HB3 1.00 0.005 1.00 -399450.00
LEU81 HG 0.98 0.005 1.00 -399450.00
LEU81 H 1.00 0.087 0.00 0.00
LEU81 HD11 0.53 0.001 1.00 -1194892.00
LEU82 HA 1.00 0.004 1.00 -276539.00
LEU82 HB2 1.00 0.010 1.00 -738603.00
LEU82 HB3 1.00 0.003 1.00 -655429.00
LEU82 HG 1.00 0.013 1.00 -738603.00
LEU82 H 1.00 0.004 1.00 -4019906.00
LEU82 HD11 0.88 0.010 1.00 -1194892.00
GLN83 H 1.00 0.005 1.00 -104325.00
GLN83 HA 0.92 0.008 1.00 -1621019.00

Detailed Probabilities of LEU(82)-HA:

Overall probability: 0.701
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 1.00 1.00
LEU82 0.72 1.00
GLN83 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82HD11 0.99
L82HD21 0.99
L82H 1.00
L82HA 1.00
Q83HA 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.000 1.00 0.11
LEU82 HA 1.00 0.007 1.00 3.01
LEU82 HB2 1.00 0.002 1.00 0.19
LEU82 HB3 1.00 1.775 0.00 0.00
LEU82 HG 1.00 0.008 1.00 0.09
LEU82 HD11 0.99 0.103 0.01 0.00
LEU82 HD21 0.99 0.003 1.00 1.01
LEU82 H 1.00 0.004 1.00 -276539.00
GLN83 HA 1.00 0.351 0.00 0.00
GLN83 H 1.00 0.002 1.00 -1721778.00

Detailed Probabilities of LEU(82)-HB2:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.43 1.00
GLN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 1.00
L82HB3 1.00
L82HG 1.00
L82HD11 1.00
L82HD21 1.00
L82H 1.00
L82HB2 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 1.00 0.043 0.00 0.00
LEU82 HB2 1.00 0.003 1.00 1.46
LEU82 HB3 1.00 0.129 0.00 0.00
LEU82 HG 1.00 0.015 1.00 19.97
LEU82 HD11 1.00 0.563 0.00 0.00
LEU82 HD21 1.00 0.127 0.00 0.00
LEU82 H 1.00 0.010 1.00 -738603.00
GLN83 H 1.00 0.004 1.00 -419587.00

Detailed Probabilities of LEU(82)-HB3:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.71 1.00
GLN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 1.00
L82HB2 1.00
L82HG 1.00
L82HD11 1.00
L82HD21 1.00
L82H 1.00
L82HB3 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 1.00 0.028 1.00 0.39
LEU82 HB2 1.00 0.001 1.00 0.79
LEU82 HB3 1.00 0.113 0.00 0.00
LEU82 HG 1.00 0.029 1.00 2.53
LEU82 HD11 1.00 0.448 0.00 0.00
LEU82 HD21 1.00 0.012 1.00 0.73
LEU82 H 1.00 0.003 1.00 -655429.00
GLN83 H 1.00 0.001 1.00 -255852.00

Detailed Probabilities of LEU(82)-HG:

Overall probability: 0.400
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.31 1.00
GLN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 1.00
L82HB2 1.00
L82HB3 1.00
L82HD11 1.00
L82HD21 1.00
L82H 1.00
L82HG 1.00
Q83H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 1.00 0.066 0.00 0.00
LEU82 HB2 1.00 0.020 1.00 1.46
LEU82 HB3 1.00 0.106 0.00 0.00
LEU82 HG 1.00 0.038 0.20 0.00
LEU82 HD11 1.00 0.586 0.00 0.00
LEU82 HD21 1.00 0.150 0.00 0.00
LEU82 H 1.00 0.013 1.00 -738603.00
GLN83 H 0.98 0.019 1.00 -419587.00

Detailed Probabilities of LEU(82)-HD11:

Overall probability: 0.657
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.66 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 0.99
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82HD12 1.00
L82HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 0.99 0.034 0.60 0.00
LEU82 HB2 1.00 0.014 1.00 0.68
LEU82 HB3 1.00 0.010 1.00 0.53
LEU82 HG 1.00 0.018 1.00 2.48
LEU82 HD11 1.00 0.596 0.00 0.00
LEU82 HD21 1.00 0.056 0.00 0.00
LEU82 H 0.86 0.010 1.00 -1194892.00

Detailed Probabilities of LEU(82)-HD21:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU82 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
L82HA 0.99
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82HD11 1.00
L82HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU82 HA 0.99 0.013 1.00 1.41
LEU82 HB2 1.00 0.033 0.70 0.00
LEU82 HB3 1.00 0.037 0.30 0.00
LEU82 HG 1.00 0.029 1.00 2.48
LEU82 HD11 1.00 0.643 0.00 0.00
LEU82 HD21 1.00 0.009 1.00 44.16

Detailed Probabilities of LEU(82)-H:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 1.00 1.00
LEU82 0.80 1.00
GLN83 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HB3 1.00
L81HB2 1.00
L81HA 1.00
L81H 1.00
L81HG 0.98
L82HA 1.00
L82HB2 1.00
L82HB3 1.00
L82HG 1.00
L82H 1.00
Q83H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.005 1.00 0.88
LEU81 HB2 1.00 0.009 1.00 0.06
LEU81 HB3 1.00 0.005 1.00 0.06
LEU81 HG 0.98 0.006 1.00 0.18
LEU81 H 1.00 0.013 1.00 -118622.00
LEU81 HD11 0.53 0.001 1.00 0.77
LEU82 HA 1.00 0.120 0.00 0.00
LEU82 HB2 1.00 0.008 1.00 0.18
LEU82 HB3 1.00 0.003 1.00 0.18
LEU82 HG 1.00 0.005 1.00 0.15
LEU82 H 1.00 0.004 1.00 -4019906.00
GLN83 H 1.00 0.010 1.00 -120255.00
GLN83 HA 0.92 0.009 1.00 0.06