ARECA's report on ILE5

Residue probability: 0.669
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.357 175.926 2.710 0.000 0.000
CA 60.544 61.717 4.152 0.303 1.000
CB 39.532 38.702 3.945 0.750 1.000
CG1 27.650 27.785 2.037 0.714 1.000
CG2 17.116 17.574 1.928 0.376 1.000
CD1 13.410 13.545 3.646 1.000 1.000
N 123.010 121.467 6.098 0.779 1.000
HA 4.833 4.185 1.403 0.750 1.000
HB 1.646 1.776 0.310 0.875 1.000
HG12 1.807 1.271 0.411 0.625 1.000
HG13 0.846 1.186 0.426 0.714 1.000
HG2 0.841 0.762 0.283 0.750 1.000
HD1 0.624 0.668 0.293 0.434 1.000
H 8.765 8.301 0.685 0.623 1.000

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Detailed Probabilities of ILE(5)-CA:

Overall probability: 0.303
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU4 0.00 1.00
ILE5 0.43 1.00
LEU6 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L4HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 1.00
I5HD11 0.97
I5H 1.00
I5HA 1.00
L6H 1.00
L6HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU4 HA 1.00 0.189 0.00 0.00
ILE5 HA 1.00 0.077 0.00 0.00
ILE5 HB 1.00 0.026 1.00 0.59
ILE5 HG12 1.00 0.187 0.00 0.00
ILE5 HG13 1.00 0.005 1.00 0.15
ILE5 HG21 1.00 0.010 1.00 0.15
ILE5 HD11 0.97 0.227 0.03 0.00
ILE5 H 1.00 0.251 0.00 0.00
LEU6 HA 1.00 0.076 0.00 0.00
LEU6 H 1.00 0.100 0.00 0.00

Detailed Probabilities of ILE(5)-CB:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.86 1.00
LEU6 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 1.00
I5HD11 1.00
I5H 1.00
I5HB 1.00
L6H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.006 1.00 0.10
ILE5 HB 1.00 0.014 1.00 1.78
ILE5 HG12 1.00 0.005 1.00 0.27
ILE5 HG13 1.00 0.005 1.00 0.78
ILE5 HG21 1.00 0.000 1.00 0.78
ILE5 HD11 1.00 0.217 0.00 0.00
ILE5 H 1.00 0.001 1.00 0.18
LEU6 H 1.00 0.109 0.00 0.00

Detailed Probabilities of ILE(5)-CG1:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG21 1.00
I5HD11 1.00
I5H 1.00
I5HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.075 0.00 0.00
ILE5 HB 1.00 0.014 1.00 0.28
ILE5 HG12 1.00 0.015 1.00 0.89
ILE5 HG13 1.00 0.012 1.00 3.51
ILE5 HG21 1.00 0.017 1.00 3.51
ILE5 HD11 1.00 0.093 0.00 0.00
ILE5 H 1.00 0.028 1.00 0.09

Detailed Probabilities of ILE(5)-CG2:

Overall probability: 0.376
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.29 1.00
LEU6 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG22 1.00
I5HD11 0.99
I5H 1.00
L6H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.020 1.00 0.53
ILE5 HB 1.00 0.017 1.00 1.39
ILE5 HG12 1.00 0.110 0.00 0.00
ILE5 HG13 1.00 0.783 0.00 0.00
ILE5 HG21 1.00 0.788 0.00 0.00
ILE5 HD11 0.99 0.574 0.01 0.00
ILE5 H 1.00 0.404 0.00 0.00
LEU6 H 0.98 0.002 1.00 0.51

Detailed Probabilities of ILE(5)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 0.97
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 0.99
I5HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 0.97 0.003 1.00 0.55
ILE5 HB 1.00 0.026 1.00 1.71
ILE5 HG12 1.00 0.007 1.00 2.88
ILE5 HG13 1.00 0.011 1.00 6.14
ILE5 HG21 0.99 0.016 1.00 6.14
ILE5 HD11 1.00 0.001 1.00 90.84
ILE5 H 0.94 0.026 1.00 0.59

Detailed Probabilities of ILE(5)-N:

Overall probability: 0.779
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU4 1.00 1.00
ILE5 0.57 1.00
LEU6 0.90 1.00

Expected NOESY Contacts
Proton Expected probability
L4HB2 1.00
L4H 1.00
L4HA 1.00
L4HG 0.99
I5HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 1.00
I5H 1.00
L6H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU4 HA 1.00 0.000 1.00 -702003.00
LEU4 HB2 1.00 0.004 1.00 -259686.00
LEU4 HG 0.99 0.010 1.00 -259686.00
LEU4 H 1.00 0.011 1.00 -79576.00
LEU4 HD11 0.53 0.009 1.00 -316736.00
LEU4 HD21 0.63 0.027 1.00 -316736.00
ILE5 HA 1.00 0.009 1.00 -92174.00
ILE5 HB 1.00 0.010 1.00 -253192.00
ILE5 HG12 1.00 0.002 1.00 -110150.00
ILE5 HG13 1.00 0.195 0.00 0.00
ILE5 HG21 1.00 0.190 0.00 0.00
ILE5 H 1.00 0.327 0.00 0.00
ILE5 HD11 0.94 0.027 1.00 -316736.00
LEU6 H 1.00 0.031 0.90 0.00

Detailed Probabilities of ILE(5)-HA:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU4 1.00 1.00
ILE5 0.71 1.00
LEU6 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L4HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 1.00
I5HD11 0.97
I5H 1.00
I5HA 1.00
L6H 1.00
L6HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU4 HA 1.00 0.007 1.00 0.06
LEU4 HB2 0.60 0.011 1.00 0.12
LEU4 H 0.93 0.002 1.00 -1542108.00
ILE5 HA 1.00 0.077 0.00 0.00
ILE5 HB 1.00 0.006 1.00 0.10
ILE5 HG12 1.00 0.012 1.00 0.14
ILE5 HG13 1.00 0.075 0.00 0.00
ILE5 HG21 1.00 0.020 1.00 0.53
ILE5 HD11 0.97 0.003 1.00 0.55
ILE5 H 1.00 0.009 1.00 -92174.00
LEU6 HA 1.00 0.363 0.00 0.00
LEU6 H 1.00 0.015 1.00 -1116232.00

Detailed Probabilities of ILE(5)-HB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.86 1.00
LEU6 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 1.00
I5HD11 1.00
I5H 1.00
I5HB 1.00
L6H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.026 1.00 0.59
ILE5 HB 1.00 0.014 1.00 1.78
ILE5 HG12 1.00 0.419 0.00 0.00
ILE5 HG13 1.00 0.014 1.00 0.28
ILE5 HG21 1.00 0.017 1.00 1.39
ILE5 HD11 1.00 0.026 1.00 1.71
ILE5 H 1.00 0.010 1.00 -253192.00
LEU6 H 1.00 0.004 1.00 -144108.00

Detailed Probabilities of ILE(5)-HG12:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.57 1.00
LEU6 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HB 1.00
I5HG13 1.00
I5HG21 1.00
I5HD11 1.00
I5H 1.00
I5HG12 1.00
L6H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.187 0.00 0.00
ILE5 HB 1.00 0.005 1.00 0.27
ILE5 HG12 1.00 0.258 0.00 0.00
ILE5 HG13 1.00 0.015 1.00 0.89
ILE5 HG21 1.00 0.110 0.00 0.00
ILE5 HD11 1.00 0.007 1.00 2.88
ILE5 H 1.00 0.002 1.00 -110150.00
LEU6 H 0.98 0.000 1.00 -76996.00

Detailed Probabilities of ILE(5)-HG13:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG21 1.00
I5HD11 1.00
I5H 1.00
I5HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.005 1.00 0.15
ILE5 HB 1.00 0.005 1.00 0.78
ILE5 HG12 1.00 0.003 1.00 0.92
ILE5 HG13 1.00 0.012 1.00 3.51
ILE5 HG21 1.00 0.783 0.00 0.00
ILE5 HD11 1.00 0.011 1.00 6.14
ILE5 H 1.00 0.195 0.00 0.00

Detailed Probabilities of ILE(5)-HG21:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.71 1.00
LEU6 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG22 1.00
I5HD11 0.99
I5H 1.00
L6H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 1.00 0.010 1.00 0.15
ILE5 HB 1.00 0.000 1.00 0.78
ILE5 HG12 1.00 0.008 1.00 0.92
ILE5 HG13 1.00 0.017 1.00 3.51
ILE5 HG21 1.00 0.788 0.00 0.00
ILE5 HD11 0.99 0.016 1.00 6.14
ILE5 H 1.00 0.190 0.00 0.00
LEU6 H 0.98 0.004 1.00 -713415.00

Detailed Probabilities of ILE(5)-HD11:

Overall probability: 0.434
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE5 0.43 1.00

Expected NOESY Contacts
Proton Expected probability
I5HA 0.97
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 0.99
I5HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE5 HA 0.97 0.227 0.03 0.00
ILE5 HB 1.00 0.217 0.00 0.00
ILE5 HG12 1.00 0.005 1.00 0.55
ILE5 HG13 1.00 0.093 0.00 0.00
ILE5 HG21 0.99 0.574 0.01 0.00
ILE5 HD11 1.00 0.001 1.00 90.84
ILE5 H 0.94 0.027 1.00 -316736.00

Detailed Probabilities of ILE(5)-H:

Overall probability: 0.623
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU4 0.82 1.00
ILE5 0.57 1.00
LEU6 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L4HB2 1.00
L4H 1.00
L4HA 1.00
L4HG 0.99
I5HA 1.00
I5HB 1.00
I5HG12 1.00
I5HG13 1.00
I5HG21 1.00
I5H 1.00
L6H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU4 HA 1.00 0.005 1.00 0.61
LEU4 HB2 1.00 0.014 1.00 0.11
LEU4 HG 0.99 0.039 0.10 0.00
LEU4 H 1.00 0.019 1.00 -121633.00
LEU4 HD11 0.53 0.009 1.00 0.28
ILE5 HA 1.00 0.251 0.00 0.00
ILE5 HB 1.00 0.001 1.00 0.18
ILE5 HG12 1.00 0.002 1.00 0.08
ILE5 HG13 1.00 0.028 1.00 0.09
ILE5 HG21 1.00 0.404 0.00 0.00
ILE5 H 1.00 0.327 0.00 0.00
ILE5 HD11 0.94 0.026 1.00 0.59
LEU6 H 1.00 0.169 0.00 0.00