ARECA's report on ILE3

Residue probability: 0.869
Residue probability confidence: 0.963

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.405 175.926 2.710 0.000 0.000
CA 59.556 61.717 4.152 0.756 0.900
CB 40.508 38.702 3.945 0.875 1.000
CG1 27.378 27.785 2.037 0.875 1.000
CG2 17.852 17.574 1.928 0.889 1.000
CD1 13.477 13.545 3.646 1.000 1.000
N NA -- -- 0.000 0.000
HA 4.826 4.185 1.403 1.000 0.900
HB 1.806 1.776 0.310 0.875 1.000
HG12 1.561 1.271 0.411 0.543 1.000
HG13 1.222 1.186 0.426 1.000 1.000
HG2 1.077 0.762 0.283 1.000 1.000
HD1 0.969 0.668 0.293 0.833 1.000
H 8.444 8.301 0.685 0.781 0.750

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Detailed Probabilities of ILE(3)-CA:

Overall probability: 0.756
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS2 0.00 0.00
ILE3 0.83 1.00
LEU4 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K2HA 1.00
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 1.00
I3HD11 0.97
I3H 1.00
I3HA 1.00
L4H 1.00
L4HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.003 1.00 0.70
ILE3 HB 1.00 0.058 0.00 0.00
ILE3 HG12 1.00 0.032 0.80 0.00
ILE3 HG13 1.00 0.019 1.00 1.01
ILE3 HG21 1.00 0.014 1.00 0.21
ILE3 HD11 0.97 0.013 1.00 0.29
ILE3 H 1.00 0.017 1.00 0.28
LEU4 HA 1.00 0.006 1.00 0.15
LEU4 H 1.00 0.095 0.00 0.00

Detailed Probabilities of ILE(3)-CB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 0.86 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 1.00
I3HD11 1.00
I3H 1.00
I3HB 1.00
L4H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.004 1.00 0.17
ILE3 HB 1.00 0.010 1.00 3.00
ILE3 HG12 1.00 0.054 0.00 0.00
ILE3 HG13 1.00 0.007 1.00 0.33
ILE3 HG21 1.00 0.002 1.00 0.87
ILE3 HD11 1.00 0.005 1.00 0.52
ILE3 H 1.00 0.000 1.00 0.21
LEU4 H 1.00 0.004 1.00 0.08

Detailed Probabilities of ILE(3)-CG1:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 0.86 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HB 1.00
I3HG13 1.00
I3HG21 1.00
I3HD11 1.00
I3H 1.00
I3HG12 1.00
L4H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.012 1.00 0.18
ILE3 HB 1.00 0.015 1.00 1.10
ILE3 HG12 1.00 0.223 0.00 0.00
ILE3 HG13 1.00 0.003 1.00 2.02
ILE3 HG21 1.00 0.018 1.00 1.02
ILE3 HD11 1.00 0.002 1.00 1.06
ILE3 H 1.00 0.005 1.00 0.10
LEU4 H 0.98 0.022 1.00 0.11

Detailed Probabilities of ILE(3)-CG2:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 0.86 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG22 1.00
I3HD11 0.99
I3H 1.00
L4H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.009 1.00 0.72
ILE3 HB 1.00 0.007 1.00 1.51
ILE3 HG12 1.00 0.045 0.00 0.00
ILE3 HG13 1.00 0.002 1.00 0.81
ILE3 HG21 1.00 0.002 1.00 29.49
ILE3 HD11 0.99 0.007 1.00 1.55
ILE3 H 1.00 0.009 1.00 0.15
LEU4 H 0.98 0.004 1.00 0.63
LEU4 HA 0.69 0.001 1.00 0.10

Detailed Probabilities of ILE(3)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 0.97
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 0.99
I3HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 0.97 0.005 1.00 0.48
ILE3 HB 1.00 0.021 1.00 1.20
ILE3 HG12 1.00 0.027 1.00 1.64
ILE3 HG13 1.00 0.000 1.00 1.47
ILE3 HG21 0.99 0.014 1.00 1.60
ILE3 HD11 1.00 0.003 1.00 50.18
ILE3 H 0.94 0.008 1.00 0.10

Detailed Probabilities of ILE(3)-HA:

Overall probability: 1.000
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS2 0.00 0.00
ILE3 1.00 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K2HA 1.00
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 1.00
I3HD11 0.97
I3H 1.00
I3HA 1.00
L4H 1.00
L4HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.003 1.00 0.70
ILE3 HB 1.00 0.004 1.00 0.17
ILE3 HG12 1.00 0.012 1.00 0.18
ILE3 HG13 1.00 0.009 1.00 0.19
ILE3 HG21 1.00 0.009 1.00 0.72
ILE3 HD11 0.97 0.005 1.00 0.48
LEU4 HA 1.00 0.014 1.00 0.06
LEU4 H 1.00 0.009 1.00 -1542108.00

Detailed Probabilities of ILE(3)-HB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 0.83 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 1.00
I3HD11 1.00
I3H 1.00
I3HB 1.00
L4H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.058 0.00 0.00
ILE3 HB 1.00 0.010 1.00 3.00
ILE3 HG12 1.00 0.015 1.00 1.10
ILE3 HG13 1.00 0.019 1.00 0.47
ILE3 HG21 1.00 0.007 1.00 1.51
ILE3 HD11 1.00 0.021 1.00 1.20
LEU4 H 1.00 0.020 1.00 -249856.00
LEU4 HA 0.89 0.012 1.00 0.06

Detailed Probabilities of ILE(3)-HG12:

Overall probability: 0.543
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 0.47 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HB 1.00
I3HG13 1.00
I3HG21 1.00
I3HD11 1.00
I3H 1.00
I3HG12 1.00
L4H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.032 0.80 0.00
ILE3 HB 1.00 0.054 0.00 0.00
ILE3 HG12 1.00 0.223 0.00 0.00
ILE3 HG13 1.00 0.003 1.00 1.73
ILE3 HG21 1.00 0.045 0.00 0.00
ILE3 HD11 1.00 0.027 1.00 1.64
LEU4 H 0.98 0.016 1.00 -212969.00

Detailed Probabilities of ILE(3)-HG13:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HB 1.00
I3HG12 1.00
I3HG21 1.00
I3HD11 1.00
I3H 1.00
I3HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.019 1.00 1.01
ILE3 HB 1.00 0.007 1.00 0.33
ILE3 HG12 1.00 0.003 1.00 2.02
ILE3 HG13 1.00 0.028 1.00 5.04
ILE3 HG21 1.00 0.002 1.00 0.81
ILE3 HD11 1.00 0.000 1.00 1.47

Detailed Probabilities of ILE(3)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 1.00 1.00
LEU4 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 1.00
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG22 1.00
I3HD11 0.99
I3H 1.00
L4H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 1.00 0.014 1.00 0.21
ILE3 HB 1.00 0.002 1.00 0.87
ILE3 HG12 1.00 0.018 1.00 1.02
ILE3 HG13 1.00 0.006 1.00 0.49
ILE3 HG21 1.00 0.002 1.00 29.49
ILE3 HD11 0.99 0.014 1.00 1.60
LEU4 H 0.98 0.002 1.00 -597330.00
LEU4 HA 0.69 0.005 1.00 0.09

Detailed Probabilities of ILE(3)-HD11:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE3 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
I3HA 0.97
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 0.99
I3HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE3 HA 0.97 0.013 1.00 0.29
ILE3 HB 1.00 0.005 1.00 0.52
ILE3 HG12 1.00 0.002 1.00 1.06
ILE3 HG13 1.00 0.114 0.00 0.00
ILE3 HG21 0.99 0.007 1.00 1.55
ILE3 HD11 1.00 0.003 1.00 50.18

Detailed Probabilities of ILE(3)-H:

Overall probability: 0.781
Overall confidence: 0.750

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS2 0.52 0.40
ILE3 1.00 1.00
LEU4 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K2H 1.00
K2HG2 0.97
K2HG3 0.96
K2HA 1.00
K2HB2 1.00
I3HA 1.00
I3HB 1.00
I3HG12 1.00
I3HG13 1.00
I3HG21 1.00
I3H 1.00
L4H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS2 HG2 0.97 1.588 0.03 0.00
LYS2 HG3 0.96 0.004 1.00 0.08
ILE3 HA 1.00 0.017 1.00 0.28
ILE3 HB 1.00 0.000 1.00 0.21
ILE3 HG12 1.00 0.005 1.00 0.10
ILE3 HG13 1.00 0.004 1.00 0.08
ILE3 HG21 1.00 0.009 1.00 0.15
ILE3 HD11 0.94 0.008 1.00 0.10
LEU4 H 1.00 0.060 0.00 0.00