ARECA's report on LEU90

Residue probability: 0.788
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.917 177.056 1.929 0.000 0.000
CA 56.944 55.735 3.802 0.619 1.000
CB 42.456 42.389 3.750 0.889 1.000
CG 26.770 26.892 3.086 0.875 1.000
CD1 24.861 24.837 3.657 0.857 1.000
CD2 24.744 24.201 3.117 0.857 1.000
N 119.582 121.785 4.943 0.914 1.000
HA 4.205 4.315 0.840 0.800 1.000
HB2 1.776 1.601 0.373 0.625 1.000
HB3 1.722 1.508 0.398 0.700 1.000
HG 1.639 1.510 0.340 0.628 1.000
HD1 0.903 0.739 0.294 0.858 1.000
HD2 0.882 0.727 0.421 0.858 1.000
H 8.047 8.237 0.647 0.757 1.000

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Detailed Probabilities of LEU(90)-CA:

Overall probability: 0.619
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU89 0.50 1.00
LEU90 0.69 1.00
GLU91 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E89HA 1.00
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90HD11 0.99
L90HD21 0.99
L90H 1.00
L90HA 1.00
E91HA 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU89 HA 1.00 0.057 0.00 0.00
GLU89 H 0.93 0.022 1.00 0.07
LEU90 HA 1.00 0.001 1.00 9.24
LEU90 HB2 1.00 0.022 1.00 0.71
LEU90 HB3 1.00 0.032 0.80 0.00
LEU90 HG 1.00 0.022 1.00 0.47
LEU90 HD11 0.99 0.547 0.01 0.00
LEU90 HD21 0.99 0.568 0.01 0.00
LEU90 H 1.00 0.016 1.00 0.54
GLU91 HA 1.00 0.131 0.00 0.00
GLU91 H 1.00 0.006 1.00 0.22

Detailed Probabilities of LEU(90)-CB:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.86 1.00
GLU91 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 1.00
L90HB3 1.00
L90HG 1.00
L90HD11 1.00
L90HD21 1.00
L90H 1.00
L90HB2 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 1.00 0.001 1.00 0.34
LEU90 HB2 1.00 0.024 1.00 1.98
LEU90 HB3 1.00 0.030 1.00 0.00
LEU90 HG 1.00 0.113 0.00 0.00
LEU90 HD11 1.00 0.012 1.00 0.97
LEU90 HD21 1.00 0.009 1.00 0.97
LEU90 H 1.00 0.011 1.00 0.44
GLU91 H 1.00 0.004 1.00 0.19
GLU91 HA 0.72 0.026 1.00 0.18

Detailed Probabilities of LEU(90)-CG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.86 1.00
GLU91 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 1.00
L90HB2 1.00
L90HB3 1.00
L90HD11 1.00
L90HD21 1.00
L90H 1.00
L90HG 1.00
E91H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 1.00 0.007 1.00 0.23
LEU90 HB2 1.00 0.011 1.00 2.53
LEU90 HB3 1.00 0.043 0.00 0.00
LEU90 HG 1.00 0.003 1.00 19.97
LEU90 HD11 1.00 0.021 1.00 1.97
LEU90 HD21 1.00 0.000 1.00 1.97
LEU90 H 1.00 0.008 1.00 0.53
GLU91 H 0.98 0.001 1.00 0.11

Detailed Probabilities of LEU(90)-CD1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 0.99
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90HD12 1.00
L90HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 0.99 0.001 1.00 1.50
LEU90 HB2 1.00 0.044 0.00 0.00
LEU90 HB3 1.00 0.010 1.00 2.96
LEU90 HG 1.00 0.003 1.00 3.36
LEU90 HD11 1.00 0.001 1.00 147.68
LEU90 HD21 1.00 0.020 1.00 147.68
LEU90 H 0.86 0.019 1.00 0.43

Detailed Probabilities of LEU(90)-CD2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 0.99
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90HD11 1.00
L90HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 0.99 0.001 1.00 1.50
LEU90 HB2 1.00 0.044 0.00 0.00
LEU90 HB3 1.00 0.010 1.00 2.96
LEU90 HG 1.00 0.003 1.00 3.36
LEU90 HD11 1.00 0.001 1.00 147.68
LEU90 HD21 1.00 0.020 1.00 147.68
LEU90 H 0.85 0.019 1.00 0.43

Detailed Probabilities of LEU(90)-N:

Overall probability: 0.914
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU89 0.80 1.00
LEU90 0.97 1.00
GLU91 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E89HB2 1.00
E89HG2 0.98
E89HG3 0.97
E89H 1.00
E89HA 1.00
L90HA 1.00
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90H 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU89 HA 1.00 0.046 0.00 0.00
GLU89 HB2 1.00 0.007 1.00 -904565.00
GLU89 HG2 0.98 0.026 1.00 -193405.00
GLU89 HG3 0.97 0.022 1.00 -193405.00
GLU89 H 1.00 0.005 1.00 -761175.00
LEU90 HA 1.00 0.012 1.00 -782459.00
LEU90 HB2 1.00 0.022 1.00 -1240230.00
LEU90 HB3 1.00 0.032 0.80 0.00
LEU90 HG 1.00 0.013 1.00 -733364.00
LEU90 H 1.00 0.009 1.00 -7986668.00
LEU90 HD11 0.88 0.014 1.00 -691194.00
LEU90 HD21 0.87 0.007 1.00 -691194.00
GLU91 H 1.00 0.006 1.00 -673755.00
GLU91 HA 0.90 0.027 1.00 -290946.00

Detailed Probabilities of LEU(90)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU89 0.00 1.00
LEU90 1.00 1.00
GLU91 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E89HA 1.00
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90HD11 0.99
L90HD21 0.99
L90H 1.00
L90HA 1.00
E91HA 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU89 HA 1.00 0.060 0.00 0.00
LEU90 HA 1.00 0.001 1.00 9.24
LEU90 HB2 1.00 0.001 1.00 0.34
LEU90 HB3 1.00 0.002 1.00 0.33
LEU90 HG 1.00 0.007 1.00 0.23
LEU90 HD11 0.99 0.001 1.00 1.50
LEU90 HD21 0.99 0.001 1.00 1.50
LEU90 H 1.00 0.012 1.00 -782459.00
GLU91 HA 1.00 0.163 0.00 0.00
GLU91 H 1.00 0.006 1.00 -315049.00

Detailed Probabilities of LEU(90)-HB2:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.57 1.00
GLU91 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 1.00
L90HB3 1.00
L90HG 1.00
L90HD11 1.00
L90HD21 1.00
L90H 1.00
L90HB2 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 1.00 0.022 1.00 0.71
LEU90 HB2 1.00 0.024 1.00 1.98
LEU90 HB3 1.00 0.268 0.00 0.00
LEU90 HG 1.00 0.011 1.00 2.53
LEU90 HD11 1.00 0.044 0.00 0.00
LEU90 HD21 1.00 0.044 0.00 0.00
LEU90 H 1.00 0.022 1.00 -1240230.00
GLU91 H 1.00 0.027 1.00 -568404.00

Detailed Probabilities of LEU(90)-HB3:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.66 1.00
GLU91 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 1.00
L90HB2 1.00
L90HG 1.00
L90HD11 1.00
L90HD21 1.00
L90H 1.00
L90HB3 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 1.00 0.032 0.80 0.00
LEU90 HB2 1.00 0.030 1.00 0.00
LEU90 HB3 1.00 0.322 0.00 0.00
LEU90 HG 1.00 0.043 0.00 0.00
LEU90 HD11 1.00 0.010 1.00 2.96
LEU90 HD21 1.00 0.010 1.00 2.96
LEU90 H 1.00 0.032 0.80 0.00
GLU91 H 1.00 0.027 1.00 -568404.00

Detailed Probabilities of LEU(90)-HG:

Overall probability: 0.628
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.71 1.00
GLU91 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 1.00
L90HB2 1.00
L90HB3 1.00
L90HD11 1.00
L90HD21 1.00
L90H 1.00
L90HG 1.00
E91H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 1.00 0.022 1.00 0.47
LEU90 HB2 1.00 0.113 0.00 0.00
LEU90 HB3 1.00 0.405 0.00 0.00
LEU90 HG 1.00 0.003 1.00 19.97
LEU90 HD11 1.00 0.003 1.00 3.36
LEU90 HD21 1.00 0.003 1.00 3.36
LEU90 H 1.00 0.013 1.00 -733364.00
GLU91 H 0.98 0.110 0.02 0.00

Detailed Probabilities of LEU(90)-HD11:

Overall probability: 0.858
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 0.99
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90HD12 1.00
L90HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 0.99 0.547 0.01 0.00
LEU90 HB2 1.00 0.012 1.00 0.97
LEU90 HB3 1.00 0.013 1.00 0.90
LEU90 HG 1.00 0.021 1.00 1.97
LEU90 HD11 1.00 0.001 1.00 147.68
LEU90 HD21 1.00 0.001 1.00 147.68
LEU90 H 0.86 0.014 1.00 -691194.00

Detailed Probabilities of LEU(90)-HD21:

Overall probability: 0.858
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU90 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L90HA 0.99
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90HD11 1.00
L90HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU90 HA 0.99 0.568 0.01 0.00
LEU90 HB2 1.00 0.009 1.00 0.97
LEU90 HB3 1.00 0.008 1.00 0.90
LEU90 HG 1.00 0.000 1.00 1.97
LEU90 HD11 1.00 0.020 1.00 147.68
LEU90 HD21 1.00 0.020 1.00 147.68
LEU90 H 0.85 0.007 1.00 -691194.00

Detailed Probabilities of LEU(90)-H:

Overall probability: 0.757
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU89 0.41 1.00
LEU90 1.00 1.00
GLU91 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
E89HB2 1.00
E89HG2 0.98
E89HG3 0.97
E89H 1.00
E89HA 1.00
L90HA 1.00
L90HB2 1.00
L90HB3 1.00
L90HG 1.00
L90H 1.00
E91H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU89 HA 1.00 0.015 1.00 1.25
GLU89 HB2 1.00 0.049 0.00 0.00
GLU89 HG2 0.98 0.049 0.02 0.00
GLU89 HG3 0.97 0.050 0.03 0.00
GLU89 H 1.00 0.010 1.00 -602840.00
LEU90 HA 1.00 0.016 1.00 0.54
LEU90 HB2 1.00 0.011 1.00 0.44
LEU90 HB3 1.00 0.012 1.00 0.42
LEU90 HG 1.00 0.008 1.00 0.53
LEU90 H 1.00 0.009 1.00 -7986668.00
LEU90 HD11 0.88 0.019 1.00 0.43
LEU90 HD21 0.87 0.019 1.00 0.43
GLU91 H 1.00 0.032 0.80 0.00