ARECA's report on LEU80

Residue probability: 0.766
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.080 177.056 1.929 0.000 0.000
CA 54.138 55.735 3.802 0.750 1.000
CB 42.541 42.389 3.750 0.875 1.000
CG 26.770 26.892 3.086 0.625 1.000
CD1 25.912 24.837 3.657 0.333 1.000
CD2 24.730 24.201 3.117 0.857 1.000
N 120.646 121.785 4.943 1.000 1.000
HA 4.205 4.315 0.840 0.818 1.000
HB2 1.418 1.601 0.373 0.750 1.000
HB3 1.295 1.508 0.398 0.875 1.000
HG 1.505 1.510 0.340 0.500 1.000
HD1 0.953 0.739 0.294 0.857 1.000
HD2 0.876 0.727 0.421 0.714 1.000
H 7.042 8.237 0.647 1.000 1.000

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Detailed Probabilities of LEU(80)-CA:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 0.67 1.00
LEU80 0.86 1.00
ASP81 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 0.99
L80HD21 0.99
L80H 1.00
L80HA 1.00
D81HA 1.00
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.200 0.00 0.00
GLU79 HB3 0.87 0.002 1.00 0.07
GLU79 H 0.93 0.011 1.00 0.08
LEU80 HA 1.00 0.002 1.00 7.95
LEU80 HB2 1.00 0.003 1.00 0.87
LEU80 HB3 1.00 0.003 1.00 0.79
LEU80 HG 1.00 0.084 0.00 0.00
LEU80 HD11 0.99 0.004 1.00 0.55
LEU80 HD21 0.99 0.000 1.00 0.84
LEU80 H 1.00 0.002 1.00 0.65
ASP81 HA 1.00 0.214 0.00 0.00
ASP81 H 1.00 0.003 1.00 1.91

Detailed Probabilities of LEU(80)-CB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.86 1.00
ASP81 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
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.003 1.00 0.82
LEU80 HB2 1.00 0.002 1.00 6.87
LEU80 HB3 1.00 0.002 1.00 4.18
LEU80 HG 1.00 0.089 0.00 0.00
LEU80 HD11 1.00 0.007 1.00 0.78
LEU80 HD21 1.00 0.003 1.00 0.79
LEU80 H 1.00 0.002 1.00 1.27
ASP81 H 1.00 0.005 1.00 0.20

Detailed Probabilities of LEU(80)-CG:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.57 1.00
ASP81 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
D81H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.064 0.00 0.00
LEU80 HB2 1.00 0.091 0.00 0.00
LEU80 HB3 1.00 0.003 1.00 0.90
LEU80 HG 1.00 0.004 1.00 14.72
LEU80 HD11 1.00 0.003 1.00 1.50
LEU80 HD21 1.00 0.074 0.00 0.00
LEU80 H 1.00 0.003 1.00 0.63
ASP81 H 0.97 0.008 1.00 0.13

Detailed Probabilities of LEU(80)-CD1:

Overall probability: 0.333
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.33 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 0.53
LEU80 HB2 1.00 0.095 0.00 0.00
LEU80 HB3 1.00 0.132 0.00 0.00
LEU80 HG 1.00 0.008 1.00 2.02
LEU80 HD11 1.00 0.199 0.00 0.00
LEU80 HD21 1.00 0.122 0.00 0.00

Detailed Probabilities of LEU(80)-CD2:

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 0.003 1.00 1.22
LEU80 HB2 1.00 0.026 1.00 3.10
LEU80 HB3 1.00 0.000 1.00 2.06
LEU80 HG 1.00 0.061 0.00 0.00
LEU80 HD11 1.00 0.011 1.00 5.99
LEU80 HD21 1.00 0.012 1.00 205.58
LEU80 H 0.85 0.006 1.00 0.50

Detailed Probabilities of LEU(80)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 1.00 1.00
LEU80 1.00 1.00
ASP81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HB2 1.00
E79HG2 0.98
E79HG3 0.97
E79HB3 1.00
E79H 1.00
E79HA 1.00
L80HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80H 1.00
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.005 1.00 -1212178.00
GLU79 HB2 1.00 0.000 1.00 -719066.00
GLU79 HB3 1.00 0.009 1.00 -932733.00
GLU79 HG2 0.98 0.004 1.00 -514014.00
GLU79 HG3 0.97 0.005 1.00 -514014.00
GLU79 H 1.00 0.004 1.00 -2684479.00
LEU80 HA 1.00 0.004 1.00 -1553284.00
LEU80 HB2 1.00 0.003 1.00 -2773897.00
LEU80 HB3 1.00 0.002 1.00 -2085034.00
LEU80 HG 1.00 0.004 1.00 -1476437.00
LEU80 H 1.00 0.001 1.00 -24148076.00
LEU80 HD11 0.88 0.005 1.00 -536759.00
LEU80 HD21 0.87 0.007 1.00 -647174.00
ASP81 H 1.00 0.007 1.00 -379272.00

Detailed Probabilities of LEU(80)-HA:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 1.00 1.00
LEU80 0.86 1.00
ASP81 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E79HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80HD11 0.99
L80HD21 0.99
L80H 1.00
L80HA 1.00
D81HA 1.00
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.004 1.00 0.23
GLU79 H 0.93 0.007 1.00 -180036.00
LEU80 HA 1.00 0.002 1.00 7.95
LEU80 HB2 1.00 0.003 1.00 0.82
LEU80 HB3 1.00 0.004 1.00 0.87
LEU80 HG 1.00 0.064 0.00 0.00
LEU80 HD11 0.99 0.001 1.00 0.53
LEU80 HD21 0.99 0.003 1.00 1.22
LEU80 H 1.00 0.004 1.00 -1553284.00
ASP81 HA 1.00 0.287 0.00 0.00
ASP81 H 1.00 0.004 1.00 -4759384.00

Detailed Probabilities of LEU(80)-HB2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.71 1.00
ASP81 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
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.003 1.00 0.87
LEU80 HB2 1.00 0.002 1.00 6.87
LEU80 HB3 1.00 0.003 1.00 4.42
LEU80 HG 1.00 0.091 0.00 0.00
LEU80 HD11 1.00 0.095 0.00 0.00
LEU80 HD21 1.00 0.026 1.00 3.10
LEU80 H 1.00 0.003 1.00 -2773897.00
ASP81 H 1.00 0.002 1.00 -399434.00

Detailed Probabilities of LEU(80)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.86 1.00
ASP81 1.00 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
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.003 1.00 0.79
LEU80 HB2 1.00 0.002 1.00 4.18
LEU80 HB3 1.00 0.002 1.00 6.76
LEU80 HG 1.00 0.003 1.00 0.90
LEU80 HD11 1.00 0.132 0.00 0.00
LEU80 HD21 1.00 0.000 1.00 2.06
LEU80 H 1.00 0.002 1.00 -2085034.00
ASP81 H 1.00 0.003 1.00 -586175.00

Detailed Probabilities of LEU(80)-HG:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.43 1.00
ASP81 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
D81H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.084 0.00 0.00
LEU80 HB2 1.00 0.089 0.00 0.00
LEU80 HB3 1.00 0.090 0.00 0.00
LEU80 HG 1.00 0.004 1.00 14.72
LEU80 HD11 1.00 0.008 1.00 2.02
LEU80 HD21 1.00 0.061 0.00 0.00
LEU80 H 1.00 0.004 1.00 -1476437.00
ASP81 H 0.97 0.006 1.00 -290039.00

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 0.004 1.00 0.55
LEU80 HB2 1.00 0.007 1.00 0.78
LEU80 HB3 1.00 0.012 1.00 0.69
LEU80 HG 1.00 0.003 1.00 1.50
LEU80 HD11 1.00 0.199 0.00 0.00
LEU80 HD21 1.00 0.011 1.00 5.99
LEU80 H 0.86 0.005 1.00 -536759.00

Detailed Probabilities of LEU(80)-HD21:

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
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 0.84
LEU80 HB2 1.00 0.003 1.00 0.79
LEU80 HB3 1.00 0.003 1.00 0.93
LEU80 HG 1.00 0.074 0.00 0.00
LEU80 HD11 1.00 0.122 0.00 0.00
LEU80 HD21 1.00 0.012 1.00 205.58
LEU80 H 0.85 0.007 1.00 -647174.00

Detailed Probabilities of LEU(80)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU79 1.00 1.00
LEU80 1.00 1.00
ASP81 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E79HB2 1.00
E79HG2 0.98
E79HG3 0.97
E79HB3 1.00
E79H 1.00
E79HA 1.00
L80HA 1.00
L80HB2 1.00
L80HB3 1.00
L80HG 1.00
L80H 1.00
D81H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU79 HA 1.00 0.026 1.00 0.64
GLU79 HB2 1.00 0.000 1.00 0.26
GLU79 HB3 1.00 0.001 1.00 0.29
GLU79 HG2 0.98 0.017 1.00 0.17
GLU79 HG3 0.97 0.017 1.00 0.17
GLU79 H 1.00 0.000 1.00 -2754307.00
LEU80 HA 1.00 0.002 1.00 0.65
LEU80 HB2 1.00 0.002 1.00 1.27
LEU80 HB3 1.00 0.001 1.00 1.12
LEU80 HG 1.00 0.003 1.00 0.63
LEU80 H 1.00 0.001 1.00 -24148076.00
LEU80 HD21 0.87 0.006 1.00 0.50
ASP81 H 1.00 0.002 1.00 -356427.00
ASP81 HA 0.90 0.020 1.00 0.12