ARECA's report on ILE57

Residue probability: 0.760
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.869 175.926 2.710 0.000 0.000
CA 59.255 61.717 4.152 0.636 1.000
CB 38.951 38.702 3.945 0.250 1.000
CG1 27.650 27.785 2.037 1.000 1.000
CG2 17.770 17.574 1.928 0.750 1.000
CD1 13.942 13.545 3.646 0.833 1.000
N 127.241 121.467 6.098 0.943 1.000
HA 4.912 4.185 1.403 0.818 1.000
HB 1.823 1.776 0.310 0.778 1.000
HG12 1.460 1.271 0.411 0.625 1.000
HG13 0.859 1.186 0.426 0.875 1.000
HG2 0.840 0.762 0.283 0.889 1.000
HD1 0.707 0.668 0.293 0.714 1.000
H 8.541 8.301 0.685 0.771 1.000

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Detailed Probabilities of ILE(57)-CA:

Overall probability: 0.636
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 0.50 1.00
ILE57 0.71 1.00
SER58 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 1.00
I57HD11 0.97
I57H 1.00
I57HA 1.00
S58HA 1.00
S58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.074 0.00 0.00
ILE56 HG21 0.68 0.013 1.00 0.61
ILE57 HA 1.00 0.001 1.00 2.01
ILE57 HB 1.00 0.009 1.00 0.43
ILE57 HG12 1.00 0.085 0.00 0.00
ILE57 HG13 1.00 0.012 1.00 0.48
ILE57 HG21 1.00 0.007 1.00 0.48
ILE57 HD11 0.97 0.000 1.00 0.61
ILE57 H 1.00 0.068 0.00 0.00
SER58 HA 1.00 0.096 0.00 0.00
SER58 H 1.00 0.010 1.00 0.81

Detailed Probabilities of ILE(57)-CB:

Overall probability: 0.250
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.29 1.00
SER58 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 1.00
I57HD11 1.00
I57H 1.00
I57HB 1.00
S58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.005 1.00 0.13
ILE57 HB 1.00 0.643 0.00 0.00
ILE57 HG12 1.00 1.006 0.00 0.00
ILE57 HG13 1.00 1.607 0.00 0.00
ILE57 HG21 1.00 1.626 0.00 0.00
ILE57 HD11 1.00 1.759 0.00 0.00
ILE57 H 1.00 0.004 1.00 0.55
SER58 H 1.00 0.265 0.00 0.00

Detailed Probabilities of ILE(57)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 1.00 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HB 1.00
I57HG13 1.00
I57HG21 1.00
I57HD11 1.00
I57H 1.00
I57HG12 1.00
S58H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.010 1.00 0.32
ILE57 HB 1.00 0.011 1.00 0.80
ILE57 HG12 1.00 0.001 1.00 12.32
ILE57 HG13 1.00 0.004 1.00 3.27
ILE57 HG21 1.00 0.015 1.00 3.27
ILE57 HD11 1.00 0.013 1.00 3.60
ILE57 H 1.00 0.005 1.00 0.39
SER58 H 0.98 0.006 1.00 0.18

Detailed Probabilities of ILE(57)-CG2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.71 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG22 1.00
I57HD11 0.99
I57H 1.00
S58H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.059 0.00 0.00
ILE57 HB 1.00 0.009 1.00 1.62
ILE57 HG12 1.00 0.135 0.00 0.00
ILE57 HG13 1.00 0.017 1.00 54.69
ILE57 HG21 1.00 0.002 1.00 54.69
ILE57 HD11 0.99 0.030 1.00 0.00
ILE57 H 1.00 0.008 1.00 0.30
SER58 H 0.98 0.002 1.00 0.75

Detailed Probabilities of ILE(57)-CD1:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 0.97
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 0.99
I57HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 0.97 0.008 1.00 0.34
ILE57 HB 1.00 0.007 1.00 1.33
ILE57 HG12 1.00 0.007 1.00 2.07
ILE57 HG13 1.00 0.014 1.00 8.32
ILE57 HG21 0.99 0.005 1.00 8.32
ILE57 HD11 1.00 0.138 0.00 0.00

Detailed Probabilities of ILE(57)-N:

Overall probability: 0.943
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 0.87 1.00
ILE57 1.00 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56H 1.00
I56HG22 0.98
I56HB 1.00
I56HG12 0.98
I56HA 1.00
I57HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 1.00
I57H 1.00
S58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.004 1.00 -1863294.00
ILE56 HB 1.00 0.005 1.00 -192772.00
ILE56 HG12 0.98 0.038 0.20 0.00
ILE56 HG21 0.99 0.007 1.00 -1612991.00
ILE56 H 1.00 0.028 1.00 -239027.00
ILE56 HG13 0.92 0.003 1.00 -187167.00
ILE57 HA 1.00 0.009 1.00 -281142.00
ILE57 HB 1.00 0.007 1.00 -850741.00
ILE57 HG12 1.00 0.005 1.00 -548873.00
ILE57 HG13 1.00 0.014 1.00 -659891.00
ILE57 HG21 1.00 0.005 1.00 -659891.00
ILE57 H 1.00 0.004 1.00 -5001836.00
ILE57 HD11 0.94 0.006 1.00 -1612991.00
SER58 H 1.00 0.001 1.00 -114206.00

Detailed Probabilities of ILE(57)-HA:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 0.50 1.00
ILE57 0.86 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 1.00
I57HD11 0.97
I57H 1.00
I57HA 1.00
S58HA 1.00
S58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.150 0.00 0.00
ILE56 HG21 0.68 0.016 1.00 0.18
ILE57 HA 1.00 0.001 1.00 2.01
ILE57 HB 1.00 0.005 1.00 0.13
ILE57 HG12 1.00 0.010 1.00 0.32
ILE57 HG13 1.00 0.004 1.00 0.19
ILE57 HG21 1.00 0.059 0.00 0.00
ILE57 HD11 0.97 0.008 1.00 0.34
ILE57 H 1.00 0.009 1.00 -281142.00
SER58 HA 1.00 0.002 1.00 0.19
SER58 H 1.00 0.001 1.00 -1503738.00

Detailed Probabilities of ILE(57)-HB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.86 1.00
SER58 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 1.00
I57HD11 1.00
I57H 1.00
I57HB 1.00
S58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.009 1.00 0.43
ILE57 HB 1.00 0.643 0.00 0.00
ILE57 HG12 1.00 0.011 1.00 0.80
ILE57 HG13 1.00 0.001 1.00 0.89
ILE57 HG21 1.00 0.009 1.00 1.62
ILE57 HD11 1.00 0.007 1.00 1.33
ILE57 H 1.00 0.007 1.00 -850741.00
SER58 H 1.00 0.067 0.00 0.00
SER58 HA 0.86 0.020 1.00 0.26

Detailed Probabilities of ILE(57)-HG12:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.57 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HB 1.00
I57HG13 1.00
I57HG21 1.00
I57HD11 1.00
I57H 1.00
I57HG12 1.00
S58H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.085 0.00 0.00
ILE57 HB 1.00 1.006 0.00 0.00
ILE57 HG12 1.00 0.001 1.00 12.32
ILE57 HG13 1.00 0.006 1.00 1.99
ILE57 HG21 1.00 0.135 0.00 0.00
ILE57 HD11 1.00 0.007 1.00 2.07
ILE57 H 1.00 0.005 1.00 -548873.00
SER58 H 0.98 0.003 1.00 -167925.00

Detailed Probabilities of ILE(57)-HG13:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.86 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG21 1.00
I57HD11 1.00
I57H 1.00
I57HG13 1.00
S58H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.012 1.00 0.48
ILE57 HB 1.00 1.607 0.00 0.00
ILE57 HG12 1.00 0.004 1.00 3.27
ILE57 HG13 1.00 0.001 1.00 3.51
ILE57 HG21 1.00 0.017 1.00 54.69
ILE57 HD11 1.00 0.014 1.00 8.32
ILE57 H 1.00 0.014 1.00 -659891.00
SER58 H 0.95 0.018 1.00 -1141098.00

Detailed Probabilities of ILE(57)-HG21:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.86 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG22 1.00
I57HD11 0.99
I57H 1.00
S58H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 1.00 0.007 1.00 0.48
ILE57 HB 1.00 1.626 0.00 0.00
ILE57 HG12 1.00 0.015 1.00 3.27
ILE57 HG13 1.00 0.018 1.00 3.51
ILE57 HG21 1.00 0.002 1.00 54.69
ILE57 HD11 0.99 0.005 1.00 8.32
ILE57 H 1.00 0.005 1.00 -659891.00
SER58 H 0.98 0.001 1.00 -1141098.00
SER58 HA 0.58 0.002 1.00 0.22

Detailed Probabilities of ILE(57)-HD11:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE57 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
I57HA 0.97
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 0.99
I57HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE57 HA 0.97 0.000 1.00 0.61
ILE57 HB 1.00 1.759 0.00 0.00
ILE57 HG12 1.00 0.013 1.00 3.60
ILE57 HG13 1.00 0.010 1.00 1.30
ILE57 HG21 0.99 0.030 1.00 0.00
ILE57 HD11 1.00 0.138 0.00 0.00
ILE57 H 0.94 0.006 1.00 -1612991.00

Detailed Probabilities of ILE(57)-H:

Overall probability: 0.771
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 0.67 1.00
ILE57 0.83 1.00
SER58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56H 1.00
I56HG22 0.98
I56HB 1.00
I56HG12 0.98
I56HA 1.00
I57HA 1.00
I57HB 1.00
I57HG12 1.00
I57HG13 1.00
I57HG21 1.00
I57H 1.00
S58H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.005 1.00 1.19
ILE56 HB 1.00 0.401 0.00 0.00
ILE56 HG12 0.98 0.135 0.02 0.00
ILE56 HG21 0.99 0.007 1.00 0.61
ILE56 H 1.00 0.005 1.00 -146079.00
ILE56 HG13 0.92 0.007 1.00 0.13
ILE57 HA 1.00 0.068 0.00 0.00
ILE57 HB 1.00 0.004 1.00 0.55
ILE57 HG12 1.00 0.005 1.00 0.39
ILE57 HG13 1.00 0.007 1.00 0.17
ILE57 HG21 1.00 0.008 1.00 0.30
ILE57 H 1.00 0.004 1.00 -5001836.00
SER58 H 1.00 0.007 1.00 -104139.00