ARECA's report on LEU64

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 172.526 177.056 1.929 0.000 0.000
CA 57.778 55.735 3.802 0.584 1.000
CB 41.350 42.389 3.750 0.778 1.000
CG 26.770 26.892 3.086 0.875 1.000
CD1 24.933 24.837 3.657 0.857 1.000
CD2 24.573 24.201 3.117 0.857 1.000
N 117.705 121.785 4.943 0.825 1.000
HA 3.907 4.315 0.840 0.709 1.000
HB2 1.789 1.601 0.373 0.625 1.000
HB3 1.629 1.508 0.398 0.875 1.000
HG 1.642 1.510 0.340 0.875 1.000
HD1 0.814 0.739 0.294 0.858 1.000
HD2 0.783 0.727 0.421 0.835 1.000
H 7.626 8.237 0.647 0.707 1.000

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Detailed Probabilities of LEU(64)-CA:

Overall probability: 0.584
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.67 1.00
LEU64 0.57 1.00
LYS65 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64HD11 0.99
L64HD21 0.99
L64H 1.00
L64HA 1.00
K65HA 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.155 0.00 0.00
LEU63 HB2 0.65 0.025 1.00 0.87
LEU63 H 0.93 0.030 1.00 0.00
LEU64 HA 1.00 0.382 0.00 0.00
LEU64 HB2 1.00 0.008 1.00 0.50
LEU64 HB3 1.00 0.008 1.00 0.71
LEU64 HG 1.00 0.005 1.00 0.71
LEU64 HD11 0.99 0.302 0.01 0.00
LEU64 HD21 0.99 0.271 0.01 0.00
LEU64 H 1.00 0.015 1.00 0.43
LYS65 HA 1.00 0.495 0.00 0.00
LYS65 H 1.00 0.027 1.00 0.28

Detailed Probabilities of LEU(64)-CB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.71 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 1.00
L64HB2 1.00
L64HG 1.00
L64HD11 1.00
L64HD21 1.00
L64H 1.00
L64HB3 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 1.00 0.007 1.00 0.32
LEU64 HB2 1.00 0.001 1.00 1.28
LEU64 HB3 1.00 0.161 0.00 0.00
LEU64 HG 1.00 0.148 0.00 0.00
LEU64 HD11 1.00 0.011 1.00 0.91
LEU64 HD21 1.00 0.020 1.00 0.91
LEU64 H 1.00 0.018 1.00 0.42
LYS65 H 1.00 0.009 1.00 0.21
LYS65 HA 0.90 0.023 1.00 0.06

Detailed Probabilities of LEU(64)-CG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.86 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 1.00
L64HB2 1.00
L64HB3 1.00
L64HD11 1.00
L64HD21 1.00
L64H 1.00
L64HG 1.00
K65H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 1.00 0.008 1.00 0.27
LEU64 HB2 1.00 0.024 1.00 2.53
LEU64 HB3 1.00 0.007 1.00 19.97
LEU64 HG 1.00 0.006 1.00 19.97
LEU64 HD11 1.00 0.018 1.00 2.48
LEU64 HD21 1.00 0.013 1.00 2.48
LEU64 H 1.00 0.243 0.00 0.00
LYS65 H 0.98 0.017 1.00 0.53

Detailed Probabilities of LEU(64)-CD1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 0.99
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64HD12 1.00
L64HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 0.99 0.010 1.00 0.89
LEU64 HB2 1.00 0.047 0.00 0.00
LEU64 HB3 1.00 0.014 1.00 4.39
LEU64 HG 1.00 0.001 1.00 4.39
LEU64 HD11 1.00 0.020 1.00 196.23
LEU64 HD21 1.00 0.011 1.00 196.23
LEU64 H 0.86 0.005 1.00 0.35

Detailed Probabilities of LEU(64)-CD2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 0.99
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64HD11 1.00
L64HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 0.99 0.010 1.00 0.89
LEU64 HB2 1.00 0.465 0.00 0.00
LEU64 HB3 1.00 0.014 1.00 4.39
LEU64 HG 1.00 0.001 1.00 4.39
LEU64 HD11 1.00 0.020 1.00 196.23
LEU64 HD21 1.00 0.011 1.00 196.23
LEU64 H 0.85 0.005 1.00 0.35

Detailed Probabilities of LEU(64)-N:

Overall probability: 0.825
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.78 1.00
LEU64 0.83 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L63HB3 1.00
L63HB2 1.00
L63HA 1.00
L63H 1.00
L63HG 0.98
L64HA 1.00
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64H 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.006 1.00 -318634.00
LEU63 HB2 1.00 0.031 0.90 0.00
LEU63 HB3 1.00 0.007 1.00 -702735.00
LEU63 HG 0.98 0.021 1.00 -1734049.00
LEU63 H 1.00 0.046 0.00 0.00
LEU64 HA 1.00 0.070 0.00 0.00
LEU64 HB2 1.00 0.005 1.00 -770738.00
LEU64 HB3 1.00 0.012 1.00 -1734049.00
LEU64 HG 1.00 0.001 1.00 -1734049.00
LEU64 H 1.00 0.016 1.00 -17911656.00
LEU64 HD11 0.88 0.016 1.00 -1748549.00
LYS65 H 1.00 0.008 1.00 -558677.00

Detailed Probabilities of LEU(64)-HA:

Overall probability: 0.709
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.90 1.00
LEU64 0.71 1.00
LYS65 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64HD11 0.99
L64HD21 0.99
L64H 1.00
L64HA 1.00
K65HA 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.032 0.80 0.00
LEU63 HB2 0.65 0.010 1.00 0.05
LEU64 HA 1.00 0.382 0.00 0.00
LEU64 HB2 1.00 0.002 1.00 0.37
LEU64 HB3 1.00 0.007 1.00 0.32
LEU64 HG 1.00 0.008 1.00 0.27
LEU64 HD11 0.99 0.010 1.00 0.89
LEU64 HD21 0.99 0.010 1.00 0.89
LEU64 H 1.00 0.070 0.00 0.00
LYS65 HA 1.00 0.107 0.00 0.00
LYS65 H 1.00 0.006 1.00 -628522.00

Detailed Probabilities of LEU(64)-HB2:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.57 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 1.00
L64HB3 1.00
L64HG 1.00
L64HD11 1.00
L64HD21 1.00
L64H 1.00
L64HB2 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 1.00 0.008 1.00 0.50
LEU64 HB2 1.00 0.154 0.00 0.00
LEU64 HB3 1.00 0.001 1.00 1.28
LEU64 HG 1.00 0.024 1.00 2.53
LEU64 HD11 1.00 0.047 0.00 0.00
LEU64 HD21 1.00 0.465 0.00 0.00
LEU64 H 1.00 0.005 1.00 -770738.00
LYS65 H 1.00 0.020 1.00 -918305.00

Detailed Probabilities of LEU(64)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.86 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 1.00
L64HB2 1.00
L64HG 1.00
L64HD11 1.00
L64HD21 1.00
L64H 1.00
L64HB3 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 1.00 0.008 1.00 0.71
LEU64 HB2 1.00 0.006 1.00 1.94
LEU64 HB3 1.00 0.161 0.00 0.00
LEU64 HG 1.00 0.007 1.00 19.97
LEU64 HD11 1.00 0.014 1.00 4.39
LEU64 HD21 1.00 0.014 1.00 4.39
LEU64 H 1.00 0.012 1.00 -1734049.00
LYS65 H 1.00 0.009 1.00 -843987.00

Detailed Probabilities of LEU(64)-HG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.86 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 1.00
L64HB2 1.00
L64HB3 1.00
L64HD11 1.00
L64HD21 1.00
L64H 1.00
L64HG 1.00
K65H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 1.00 0.005 1.00 0.71
LEU64 HB2 1.00 0.007 1.00 1.94
LEU64 HB3 1.00 0.148 0.00 0.00
LEU64 HG 1.00 0.006 1.00 19.97
LEU64 HD11 1.00 0.001 1.00 4.39
LEU64 HD21 1.00 0.001 1.00 4.39
LEU64 H 1.00 0.001 1.00 -1734049.00
LYS65 H 0.98 0.004 1.00 -843987.00

Detailed Probabilities of LEU(64)-HD11:

Overall probability: 0.858
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 0.99
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64HD12 1.00
L64HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 0.99 0.302 0.01 0.00
LEU64 HB2 1.00 0.010 1.00 1.00
LEU64 HB3 1.00 0.011 1.00 0.91
LEU64 HG 1.00 0.018 1.00 2.48
LEU64 HD11 1.00 0.020 1.00 196.23
LEU64 HD21 1.00 0.020 1.00 196.23
LEU64 H 0.86 0.016 1.00 -1748549.00

Detailed Probabilities of LEU(64)-HD21:

Overall probability: 0.835
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU64 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
L64HA 0.99
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64HD11 1.00
L64HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU64 HA 0.99 0.271 0.01 0.00
LEU64 HB2 1.00 0.021 1.00 1.00
LEU64 HB3 1.00 0.020 1.00 0.91
LEU64 HG 1.00 0.013 1.00 2.48
LEU64 HD11 1.00 0.011 1.00 196.23
LEU64 HD21 1.00 0.011 1.00 196.23

Detailed Probabilities of LEU(64)-H:

Overall probability: 0.707
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.43 1.00
LEU64 0.86 1.00
LYS65 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L63HB3 1.00
L63HB2 1.00
L63HA 1.00
L63H 1.00
L63HG 0.98
L64HA 1.00
L64HB2 1.00
L64HB3 1.00
L64HG 1.00
L64H 1.00
K65H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.042 0.00 0.00
LEU63 HB2 1.00 0.040 0.00 0.00
LEU63 HB3 1.00 0.016 1.00 0.66
LEU63 HG 0.98 0.510 0.02 0.00
LEU63 H 1.00 0.044 0.00 0.00
LEU63 HD11 0.53 0.007 1.00 0.45
LEU63 HD21 0.58 0.021 1.00 0.42
LEU64 HA 1.00 0.015 1.00 0.43
LEU64 HB2 1.00 0.016 1.00 0.53
LEU64 HB3 1.00 0.018 1.00 0.42
LEU64 HG 1.00 0.243 0.00 0.00
LEU64 H 1.00 0.016 1.00 -17911656.00
LEU64 HD11 0.88 0.005 1.00 0.35
LEU64 HD21 0.87 0.005 1.00 0.35
LYS65 H 1.00 0.016 1.00 -697715.00
LYS65 HA 0.89 0.018 1.00 0.97
LYS65 HB2 0.58 0.011 1.00 2.14