ARECA's report on LEU45

Residue probability: 0.981
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.357 177.056 1.929 0.000 0.000
CA 57.187 55.735 3.802 0.833 1.000
CB 41.773 42.389 3.750 1.000 1.000
CG 26.770 26.892 3.086 1.000 1.000
CD1 25.491 24.837 3.657 1.000 1.000
CD2 23.696 24.201 3.117 1.000 1.000
N 117.785 121.785 4.943 1.000 1.000
HA 4.148 4.315 0.840 0.917 1.000
HB2 1.904 1.601 0.373 1.000 1.000
HB3 1.486 1.508 0.398 1.000 1.000
HG 1.882 1.510 0.340 1.000 1.000
HD1 0.754 0.739 0.294 1.000 1.000
HD2 0.725 0.727 0.421 1.000 1.000
H 8.161 8.237 0.647 1.000 1.000

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Detailed Probabilities of LEU(45)-CA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.67 1.00
LEU45 1.00 1.00
ALA46 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45HD11 0.99
L45HD21 0.99
L45H 1.00
L45HA 1.00
A46HA 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.087 0.00 0.00
LYS44 HB2 0.66 0.007 1.00 0.23
LYS44 HB3 0.85 0.002 1.00 0.23
LEU45 HA 1.00 0.000 1.00 2.40
LEU45 HB2 1.00 0.000 1.00 0.23
LEU45 HB3 1.00 0.000 1.00 0.15
LEU45 HG 1.00 0.000 1.00 0.19
LEU45 HD11 0.99 0.000 1.00 0.25
LEU45 HD21 0.99 0.000 1.00 0.33
LEU45 H 1.00 0.000 1.00 0.10
ALA46 HA 1.00 0.104 0.00 0.00
ALA46 H 1.00 0.000 1.00 0.05

Detailed Probabilities of LEU(45)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 1.00
L45HB3 1.00
L45HG 1.00
L45HD11 1.00
L45HD21 1.00
L45H 1.00
L45HB2 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 1.00 0.000 1.00 0.08
LEU45 HB2 1.00 0.000 1.00 0.66
LEU45 HB3 1.00 0.000 1.00 0.34
LEU45 HG 1.00 0.000 1.00 0.44
LEU45 HD11 1.00 0.000 1.00 0.15
LEU45 HD21 1.00 0.000 1.00 0.13
LEU45 H 1.00 0.000 1.00 0.08
ALA46 H 1.00 0.000 1.00 0.04

Detailed Probabilities of LEU(45)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 1.00
L45HB2 1.00
L45HB3 1.00
L45HD11 1.00
L45HD21 1.00
L45H 1.00
L45HG 1.00
A46H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 1.00 0.000 1.00 0.07
LEU45 HB2 1.00 0.000 1.00 1.41
LEU45 HB3 1.00 0.000 1.00 0.07
LEU45 HG 1.00 0.000 1.00 1.91
LEU45 HD11 1.00 0.000 1.00 0.16
LEU45 HD21 1.00 0.000 1.00 0.19
LEU45 H 1.00 0.000 1.00 0.10
ALA46 H 0.98 0.000 1.00 0.02

Detailed Probabilities of LEU(45)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 0.99
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45HD12 1.00
L45HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 0.99 0.000 1.00 0.05
LEU45 HB2 1.00 0.000 1.00 0.46
LEU45 HB3 1.00 0.000 1.00 0.46
LEU45 HG 1.00 0.000 1.00 0.48
LEU45 HD11 1.00 0.000 1.00 22.05
LEU45 HD21 1.00 0.000 1.00 16.60
LEU45 H 0.86 0.000 1.00 0.02

Detailed Probabilities of LEU(45)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 0.99
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45HD11 1.00
L45HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 0.99 0.000 1.00 0.25
LEU45 HB2 1.00 0.000 1.00 0.34
LEU45 HB3 1.00 0.000 1.00 0.18
LEU45 HG 1.00 0.000 1.00 0.31
LEU45 HD11 1.00 0.000 1.00 6.06
LEU45 HD21 1.00 0.000 1.00 9.63
LEU45 H 0.85 0.000 1.00 0.04

Detailed Probabilities of LEU(45)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 1.00 1.00
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K44HB3 1.00
K44HG2 0.97
K44H 1.00
K44HB2 1.00
K44HA 1.00
L45HA 1.00
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45H 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.000 1.00 -1971.00
LYS44 HB2 1.00 0.000 1.00 -22220.00
LYS44 HB3 1.00 0.000 1.00 -22220.00
LYS44 HG2 0.97 0.000 1.00 -1158.00
LYS44 H 1.00 0.000 1.00 -6345.00
LYS44 HG3 0.95 0.000 1.00 -1374.00
LYS44 HD2 0.54 0.000 1.00 -438.00
LYS44 HD3 0.56 0.000 1.00 -438.00
LEU45 HA 1.00 0.000 1.00 -4311.00
LEU45 HB2 1.00 0.000 1.00 -22220.00
LEU45 HB3 1.00 0.000 1.00 -4130.00
LEU45 HG 1.00 0.000 1.00 -16590.00
LEU45 H 1.00 0.000 1.00 -57760.00
LEU45 HD11 0.88 0.000 1.00 -4794.00
LEU45 HD21 0.87 0.000 1.00 -4859.00
ALA46 H 1.00 0.000 1.00 -6345.00
ALA46 HA 0.90 0.011 1.00 -1024.00

Detailed Probabilities of LEU(45)-HA:

Overall probability: 0.917
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 1.00 1.00
LEU45 1.00 1.00
ALA46 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45HD11 0.99
L45HD21 0.99
L45H 1.00
L45HA 1.00
A46HA 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.026 1.00 1.01
LYS44 HB2 0.66 0.013 1.00 0.11
LYS44 HB3 0.85 0.013 1.00 0.11
LEU45 HA 1.00 0.000 1.00 2.40
LEU45 HB2 1.00 0.000 1.00 0.08
LEU45 HB3 1.00 0.000 1.00 0.09
LEU45 HG 1.00 0.000 1.00 0.07
LEU45 HD11 0.99 0.000 1.00 0.05
LEU45 HD21 0.99 0.000 1.00 0.25
LEU45 H 1.00 0.000 1.00 -4311.00
ALA46 HA 1.00 0.104 0.00 0.00
ALA46 H 1.00 0.000 1.00 -2046.00

Detailed Probabilities of LEU(45)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 1.00
L45HB3 1.00
L45HG 1.00
L45HD11 1.00
L45HD21 1.00
L45H 1.00
L45HB2 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 1.00 0.000 1.00 0.23
LEU45 HB2 1.00 0.000 1.00 0.66
LEU45 HB3 1.00 0.000 1.00 0.45
LEU45 HG 1.00 0.000 1.00 1.41
LEU45 HD11 1.00 0.000 1.00 0.46
LEU45 HD21 1.00 0.000 1.00 0.34
LEU45 H 1.00 0.000 1.00 -22220.00
ALA46 H 1.00 0.000 1.00 -7442.00
ALA46 HA 0.66 0.017 1.00 0.01

Detailed Probabilities of LEU(45)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 1.00
L45HB2 1.00
L45HG 1.00
L45HD11 1.00
L45HD21 1.00
L45H 1.00
L45HB3 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 1.00 0.000 1.00 0.15
LEU45 HB2 1.00 0.000 1.00 0.34
LEU45 HB3 1.00 0.000 1.00 0.71
LEU45 HG 1.00 0.000 1.00 0.07
LEU45 HD11 1.00 0.000 1.00 0.46
LEU45 HD21 1.00 0.000 1.00 0.18
LEU45 H 1.00 0.000 1.00 -4130.00
ALA46 H 1.00 0.000 1.00 -4022.00

Detailed Probabilities of LEU(45)-HG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 1.00
L45HB2 1.00
L45HB3 1.00
L45HD11 1.00
L45HD21 1.00
L45H 1.00
L45HG 1.00
A46H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 1.00 0.000 1.00 0.19
LEU45 HB2 1.00 0.000 1.00 0.44
LEU45 HB3 1.00 0.000 1.00 0.34
LEU45 HG 1.00 0.000 1.00 1.91
LEU45 HD11 1.00 0.000 1.00 0.48
LEU45 HD21 1.00 0.000 1.00 0.31
LEU45 H 1.00 0.000 1.00 -16590.00
ALA46 H 0.98 0.000 1.00 -6313.00

Detailed Probabilities of LEU(45)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 0.99
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45HD12 1.00
L45HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 0.99 0.000 1.00 0.25
LEU45 HB2 1.00 0.000 1.00 0.15
LEU45 HB3 1.00 0.000 1.00 0.20
LEU45 HG 1.00 0.000 1.00 0.16
LEU45 HD11 1.00 0.000 1.00 22.05
LEU45 HD21 1.00 0.000 1.00 6.06
LEU45 H 0.86 0.000 1.00 -4794.00

Detailed Probabilities of LEU(45)-HD21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L45HA 0.99
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45HD11 1.00
L45HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU45 HA 0.99 0.000 1.00 0.33
LEU45 HB2 1.00 0.000 1.00 0.13
LEU45 HB3 1.00 0.000 1.00 0.19
LEU45 HG 1.00 0.000 1.00 0.19
LEU45 HD11 1.00 0.000 1.00 16.60
LEU45 HD21 1.00 0.000 1.00 9.63
LEU45 H 0.85 0.000 1.00 -4859.00

Detailed Probabilities of LEU(45)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 1.00 1.00
LEU45 1.00 1.00
ALA46 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K44HB3 1.00
K44HG2 0.97
K44H 1.00
K44HB2 1.00
K44HA 1.00
L45HA 1.00
L45HB2 1.00
L45HB3 1.00
L45HG 1.00
L45H 1.00
A46H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.000 1.00 0.07
LYS44 HB2 1.00 0.000 1.00 0.11
LYS44 HB3 1.00 0.000 1.00 0.11
LYS44 HG2 0.97 0.000 1.00 0.01
LYS44 H 1.00 0.000 1.00 -6908.00
LYS44 HG3 0.95 0.000 1.00 0.01
LEU45 HA 1.00 0.000 1.00 0.10
LEU45 HB2 1.00 0.000 1.00 0.08
LEU45 HB3 1.00 0.000 1.00 0.07
LEU45 HG 1.00 0.000 1.00 0.10
LEU45 H 1.00 0.000 1.00 -57760.00
LEU45 HD11 0.88 0.000 1.00 0.02
LEU45 HD21 0.87 0.000 1.00 0.04
ALA46 H 1.00 0.000 1.00 -5670.00