ARECA's report on ILE54

Residue probability: 0.806
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.089 175.926 2.710 0.000 0.000
CA 59.264 61.717 4.152 0.545 1.000
CB 41.953 38.702 3.945 1.000 1.000
CG1 27.420 27.785 2.037 1.000 1.000
CG2 17.835 17.574 1.928 0.667 1.000
CD1 13.410 13.545 3.646 0.857 1.000
N 124.730 121.467 6.098 0.938 1.000
HA 4.846 4.185 1.403 0.900 1.000
HB 1.681 1.776 0.310 0.889 1.000
HG12 1.249 1.271 0.411 0.752 1.000
HG13 0.911 1.186 0.426 0.571 1.000
HG2 0.746 0.762 0.283 0.778 1.000
HD1 0.635 0.668 0.293 0.858 1.000
H 8.804 8.301 0.685 0.719 1.000

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Detailed Probabilities of ILE(54)-CA:

Overall probability: 0.545
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.50 1.00
ILE54 0.57 1.00
LEU55 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 1.00
I54HD11 0.97
I54H 1.00
I54HA 1.00
L55H 1.00
L55HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.059 0.00 0.00
LYS53 H 0.93 0.027 1.00 0.24
ILE54 HA 1.00 0.017 1.00 0.70
ILE54 HB 1.00 0.014 1.00 0.48
ILE54 HG12 1.00 0.060 0.00 0.00
ILE54 HG13 1.00 0.045 0.00 0.00
ILE54 HG21 1.00 0.011 1.00 0.08
ILE54 HD11 0.97 0.012 1.00 0.35
ILE54 H 1.00 0.083 0.00 0.00
LEU55 HA 1.00 0.019 1.00 0.23
LEU55 H 1.00 0.073 0.00 0.00

Detailed Probabilities of ILE(54)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 1.00
I54HD11 1.00
I54H 1.00
I54HB 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.006 1.00 0.20
ILE54 HB 1.00 0.010 1.00 4.56
ILE54 HG12 1.00 0.004 1.00 0.39
ILE54 HG13 1.00 0.000 1.00 0.52
ILE54 HG21 1.00 0.003 1.00 1.24
ILE54 HD11 1.00 0.016 1.00 1.23
ILE54 H 1.00 0.003 1.00 0.36
LEU55 H 1.00 0.001 1.00 0.11

Detailed Probabilities of ILE(54)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HB 1.00
I54HG13 1.00
I54HG21 1.00
I54HD11 1.00
I54H 1.00
I54HG12 1.00
L55H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.007 1.00 0.18
ILE54 HB 1.00 0.003 1.00 0.46
ILE54 HG12 1.00 0.001 1.00 5.04
ILE54 HG13 1.00 0.002 1.00 1.40
ILE54 HG21 1.00 0.003 1.00 2.11
ILE54 HD11 1.00 0.012 1.00 0.96
ILE54 H 1.00 0.005 1.00 0.14
LEU55 H 0.98 0.021 1.00 0.13

Detailed Probabilities of ILE(54)-CG2:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 0.57 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG22 1.00
I54HD11 0.99
I54H 1.00
L55H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.014 1.00 0.64
ILE54 HB 1.00 0.005 1.00 1.45
ILE54 HG12 1.00 0.009 1.00 0.52
ILE54 HG13 1.00 0.165 0.00 0.00
ILE54 HG21 1.00 0.330 0.00 0.00
ILE54 HD11 0.99 0.420 0.01 0.00
ILE54 H 1.00 0.012 1.00 0.44
LEU55 H 0.98 0.009 1.00 0.71
LEU55 HA 0.69 0.000 1.00 0.09

Detailed Probabilities of ILE(54)-CD1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 0.97
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 0.99
I54HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 0.97 0.010 1.00 0.55
ILE54 HB 1.00 0.009 1.00 1.71
ILE54 HG12 1.00 0.008 1.00 1.29
ILE54 HG13 1.00 0.054 0.00 0.00
ILE54 HG21 0.99 0.008 1.00 10.40
ILE54 HD11 1.00 0.012 1.00 90.84
ILE54 H 0.94 0.013 1.00 0.59

Detailed Probabilities of ILE(54)-N:

Overall probability: 0.938
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.88 1.00
ILE54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53H 1.00
K53HG2 0.97
K53HG3 0.96
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
I54HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 1.00
I54H 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.006 1.00 -912658.00
LYS53 HB2 1.00 0.007 1.00 -93311.00
LYS53 HB3 1.00 0.044 0.00 0.00
LYS53 HG2 0.97 0.001 1.00 -170001.00
LYS53 HG3 0.96 0.009 1.00 -320843.00
LYS53 H 1.00 0.009 1.00 -106715.00
LYS53 HD2 0.54 0.026 1.00 -144797.00
LYS53 HD3 0.55 0.010 1.00 -254061.00
ILE54 HA 1.00 0.003 1.00 -251509.00
ILE54 HB 1.00 0.004 1.00 -585702.00
ILE54 HG12 1.00 0.009 1.00 -254061.00
ILE54 HG13 1.00 0.015 1.00 -320843.00
ILE54 HG21 1.00 0.001 1.00 -298060.00
ILE54 H 1.00 0.003 1.00 -3443142.00
ILE54 HD11 0.94 0.010 1.00 -364481.00
LEU55 H 1.00 0.000 1.00 -115318.00

Detailed Probabilities of ILE(54)-HA:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 1.00 1.00
ILE54 1.00 1.00
LEU55 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 1.00
I54HD11 0.97
I54H 1.00
I54HA 1.00
L55H 1.00
L55HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.011 1.00 0.42
ILE54 HA 1.00 0.017 1.00 0.70
ILE54 HB 1.00 0.006 1.00 0.20
ILE54 HG12 1.00 0.007 1.00 0.18
ILE54 HG13 1.00 0.009 1.00 0.16
ILE54 HG21 1.00 0.014 1.00 0.64
ILE54 HD11 0.97 0.010 1.00 0.55
ILE54 H 1.00 0.003 1.00 -251509.00
LEU55 HA 1.00 0.216 0.00 0.00
LEU55 H 1.00 0.011 1.00 -1206557.00

Detailed Probabilities of ILE(54)-HB:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 1.00 1.00
LEU55 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 1.00
I54HD11 1.00
I54H 1.00
I54HB 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.014 1.00 0.48
ILE54 HB 1.00 0.010 1.00 4.56
ILE54 HG12 1.00 0.003 1.00 0.46
ILE54 HG13 1.00 0.002 1.00 0.34
ILE54 HG21 1.00 0.005 1.00 1.45
ILE54 HD11 1.00 0.009 1.00 1.71
ILE54 H 1.00 0.004 1.00 -585702.00
LEU55 H 1.00 0.089 0.00 0.00
LEU55 HA 0.89 0.025 1.00 0.27

Detailed Probabilities of ILE(54)-HG12:

Overall probability: 0.752
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 0.86 1.00
LEU55 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HB 1.00
I54HG13 1.00
I54HG21 1.00
I54HD11 1.00
I54H 1.00
I54HG12 1.00
L55H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.060 0.00 0.00
ILE54 HB 1.00 0.004 1.00 0.39
ILE54 HG12 1.00 0.001 1.00 5.04
ILE54 HG13 1.00 0.009 1.00 1.17
ILE54 HG21 1.00 0.009 1.00 0.52
ILE54 HD11 1.00 0.008 1.00 1.29
ILE54 H 1.00 0.009 1.00 -254061.00
LEU55 H 0.98 0.073 0.02 0.00

Detailed Probabilities of ILE(54)-HG13:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG21 1.00
I54HD11 1.00
I54H 1.00
I54HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.045 0.00 0.00
ILE54 HB 1.00 0.000 1.00 0.52
ILE54 HG12 1.00 0.002 1.00 1.40
ILE54 HG13 1.00 0.009 1.00 5.21
ILE54 HG21 1.00 0.165 0.00 0.00
ILE54 HD11 1.00 0.054 0.00 0.00
ILE54 H 1.00 0.015 1.00 -320843.00

Detailed Probabilities of ILE(54)-HG21:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 0.71 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG22 1.00
I54HD11 0.99
I54H 1.00
L55H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 1.00 0.011 1.00 0.08
ILE54 HB 1.00 0.003 1.00 1.24
ILE54 HG12 1.00 0.003 1.00 2.11
ILE54 HG13 1.00 0.088 0.00 0.00
ILE54 HG21 1.00 0.330 0.00 0.00
ILE54 HD11 0.99 0.008 1.00 10.40
ILE54 H 1.00 0.001 1.00 -298060.00
LEU55 H 0.98 0.001 1.00 -901958.00
LEU55 HA 0.69 0.025 1.00 0.12

Detailed Probabilities of ILE(54)-HD11:

Overall probability: 0.858
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE54 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I54HA 0.97
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 0.99
I54HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE54 HA 0.97 0.012 1.00 0.35
ILE54 HB 1.00 0.016 1.00 1.23
ILE54 HG12 1.00 0.012 1.00 0.96
ILE54 HG13 1.00 0.023 1.00 0.91
ILE54 HG21 0.99 0.420 0.01 0.00
ILE54 HD11 1.00 0.012 1.00 90.84
ILE54 H 0.94 0.010 1.00 -364481.00

Detailed Probabilities of ILE(54)-H:

Overall probability: 0.719
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.51 1.00
ILE54 0.86 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53H 1.00
K53HG2 0.97
K53HG3 0.96
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
I54HA 1.00
I54HB 1.00
I54HG12 1.00
I54HG13 1.00
I54HG21 1.00
I54H 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.017 1.00 0.35
LYS53 HB2 1.00 2.014 0.00 0.00
LYS53 HB3 1.00 0.021 1.00 0.06
LYS53 HG2 0.97 0.837 0.03 0.00
LYS53 HG3 0.96 0.510 0.04 0.00
LYS53 H 1.00 0.003 1.00 -137837.00
ILE54 HA 1.00 0.083 0.00 0.00
ILE54 HB 1.00 0.003 1.00 0.36
ILE54 HG12 1.00 0.005 1.00 0.14
ILE54 HG13 1.00 0.003 1.00 0.14
ILE54 HG21 1.00 0.012 1.00 0.44
ILE54 H 1.00 0.003 1.00 -3443142.00
ILE54 HD11 0.94 0.013 1.00 0.59
LEU55 H 1.00 0.015 1.00 -87351.00