ARECA's report on ILE18

Residue probability: 0.972
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 176.967 175.926 2.710 0.000 0.000
CA 65.474 61.717 4.152 0.909 1.000
CB 37.556 38.702 3.945 1.000 1.000
CG1 29.494 27.785 2.037 1.000 1.000
CG2 17.360 17.574 1.928 1.000 1.000
CD1 13.410 13.545 3.646 1.000 1.000
N 120.961 121.467 6.098 1.000 1.000
HA 3.372 4.185 1.403 0.800 1.000
HB 1.821 1.776 0.310 1.000 1.000
HG12 1.765 1.271 0.411 1.000 1.000
HG13 0.729 1.186 0.426 1.000 1.000
HG2 0.718 0.762 0.283 1.000 1.000
HD1 0.613 0.668 0.293 1.000 1.000
H 8.785 8.301 0.685 0.931 1.000

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Detailed Probabilities of ILE(18)-CA:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS17 1.00 1.00
ILE18 1.00 1.00
LYS19 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K17HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 1.00
I18HD11 0.97
I18H 1.00
I18HA 1.00
K19H 1.00
K19HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS17 HA 1.00 0.025 1.00 0.01
LYS17 HB2 0.67 0.020 1.00 0.06
ILE18 HA 1.00 0.000 1.00 0.89
ILE18 HB 1.00 0.000 1.00 0.08
ILE18 HG12 1.00 0.000 1.00 0.08
ILE18 HG13 1.00 0.000 1.00 0.29
ILE18 HG21 1.00 0.000 1.00 0.29
ILE18 HD11 0.97 0.000 1.00 0.09
ILE18 H 1.00 0.000 1.00 0.06
LYS19 HA 1.00 0.287 0.00 0.00
LYS19 H 1.00 0.000 1.00 0.01

Detailed Probabilities of ILE(18)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 1.00
I18HD11 1.00
I18H 1.00
I18HB 1.00
K19H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.03
ILE18 HB 1.00 0.000 1.00 0.95
ILE18 HG12 1.00 0.000 1.00 0.25
ILE18 HG13 1.00 0.000 1.00 0.31
ILE18 HG21 1.00 0.000 1.00 0.31
ILE18 HD11 1.00 0.000 1.00 0.12
ILE18 H 1.00 0.000 1.00 0.11
LYS19 H 1.00 0.000 1.00 0.05

Detailed Probabilities of ILE(18)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG21 1.00
I18HD11 1.00
I18H 1.00
I18HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.03
ILE18 HB 1.00 0.000 1.00 0.05
ILE18 HG12 1.00 0.000 1.00 0.11
ILE18 HG13 1.00 0.000 1.00 0.22
ILE18 HG21 1.00 0.000 1.00 0.22
ILE18 HD11 1.00 0.000 1.00 0.10
ILE18 H 1.00 0.000 1.00 0.02

Detailed Probabilities of ILE(18)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG22 1.00
I18HD11 0.99
I18H 1.00
K19H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.09
ILE18 HB 1.00 0.000 1.00 0.21
ILE18 HG12 1.00 0.000 1.00 0.16
ILE18 HG13 1.00 0.000 1.00 6.72
ILE18 HG21 1.00 0.000 1.00 6.72
ILE18 HD11 0.99 0.000 1.00 0.64
ILE18 H 1.00 0.000 1.00 0.04
LYS19 H 0.98 0.000 1.00 0.09
LYS19 HA 0.65 0.006 1.00 0.02

Detailed Probabilities of ILE(18)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 0.97
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 0.99
I18HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 0.97 0.000 1.00 0.07
ILE18 HB 1.00 0.000 1.00 0.47
ILE18 HG12 1.00 0.000 1.00 0.42
ILE18 HG13 1.00 0.000 1.00 1.92
ILE18 HG21 0.99 0.000 1.00 1.92
ILE18 HD11 1.00 0.000 1.00 16.84
ILE18 H 0.94 0.000 1.00 0.10

Detailed Probabilities of ILE(18)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS17 1.00 1.00
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K17H 1.00
K17HG2 0.97
K17HG3 0.96
K17HA 1.00
K17HB2 1.00
K17HB3 1.00
I18HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 1.00
I18H 1.00
K19H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS17 HA 1.00 0.000 1.00 -1687.00
LYS17 HB2 1.00 0.000 1.00 -2632.00
LYS17 HB3 1.00 0.000 1.00 -2910.00
LYS17 HG2 0.97 0.000 1.00 -7692.00
LYS17 HG3 0.96 0.000 1.00 -381.00
LYS17 H 1.00 0.000 1.00 -6521.00
ILE18 HA 1.00 0.000 1.00 -3732.00
ILE18 HB 1.00 0.000 1.00 -9910.00
ILE18 HG12 1.00 0.000 1.00 -7692.00
ILE18 HG13 1.00 0.000 1.00 -7419.00
ILE18 HG21 1.00 0.000 1.00 -7419.00
ILE18 H 1.00 0.000 1.00 -37860.00
ILE18 HD11 0.94 0.000 1.00 -3459.00
LYS19 H 1.00 0.000 1.00 -3976.00

Detailed Probabilities of ILE(18)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS17 0.00 1.00
ILE18 1.00 1.00
LYS19 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K17HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 1.00
I18HD11 0.97
I18H 1.00
I18HA 1.00
K19H 1.00
K19HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS17 HA 1.00 0.620 0.00 0.00
ILE18 HA 1.00 0.000 1.00 0.89
ILE18 HB 1.00 0.000 1.00 0.03
ILE18 HG12 1.00 0.000 1.00 0.02
ILE18 HG13 1.00 0.000 1.00 0.03
ILE18 HG21 1.00 0.000 1.00 0.09
ILE18 HD11 0.97 0.000 1.00 0.07
ILE18 H 1.00 0.000 1.00 -3732.00
LYS19 HA 1.00 0.308 0.00 0.00
LYS19 H 1.00 0.000 1.00 -769.00

Detailed Probabilities of ILE(18)-HB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 1.00
I18HD11 1.00
I18H 1.00
I18HB 1.00
K19H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.08
ILE18 HB 1.00 0.000 1.00 0.95
ILE18 HG12 1.00 0.000 1.00 0.59
ILE18 HG13 1.00 0.000 1.00 0.05
ILE18 HG21 1.00 0.000 1.00 0.21
ILE18 HD11 1.00 0.000 1.00 0.47
ILE18 H 1.00 0.000 1.00 -9910.00
LYS19 H 1.00 0.000 1.00 -9530.00
LYS19 HA 0.88 0.013 1.00 0.11

Detailed Probabilities of ILE(18)-HG12:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HB 1.00
I18HG13 1.00
I18HG21 1.00
I18HD11 1.00
I18H 1.00
I18HG12 1.00
K19H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.08
ILE18 HB 1.00 0.000 1.00 0.25
ILE18 HG12 1.00 0.000 1.00 2.80
ILE18 HG13 1.00 0.000 1.00 0.11
ILE18 HG21 1.00 0.000 1.00 0.16
ILE18 HD11 1.00 0.000 1.00 0.42
ILE18 H 1.00 0.000 1.00 -7692.00
LYS19 H 0.98 0.023 1.00 -8714.00

Detailed Probabilities of ILE(18)-HG13:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG21 1.00
I18HD11 1.00
I18H 1.00
I18HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.29
ILE18 HB 1.00 0.000 1.00 0.31
ILE18 HG12 1.00 0.000 1.00 0.22
ILE18 HG13 1.00 0.000 1.00 0.22
ILE18 HG21 1.00 0.000 1.00 6.72
ILE18 HD11 1.00 0.000 1.00 1.92
ILE18 H 1.00 0.000 1.00 -7419.00

Detailed Probabilities of ILE(18)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG22 1.00
I18HD11 0.99
I18H 1.00
K19H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 1.00 0.000 1.00 0.29
ILE18 HB 1.00 0.000 1.00 0.31
ILE18 HG12 1.00 0.000 1.00 0.22
ILE18 HG13 1.00 0.000 1.00 0.22
ILE18 HG21 1.00 0.000 1.00 6.72
ILE18 HD11 0.99 0.000 1.00 1.92
ILE18 H 1.00 0.000 1.00 -7419.00
LYS19 H 0.98 0.000 1.00 -4169.00
LYS19 HA 0.65 0.002 1.00 0.09

Detailed Probabilities of ILE(18)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE18 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I18HA 0.97
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 0.99
I18HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE18 HA 0.97 0.000 1.00 0.09
ILE18 HB 1.00 0.000 1.00 0.12
ILE18 HG12 1.00 0.000 1.00 0.11
ILE18 HG13 1.00 0.000 1.00 0.10
ILE18 HG21 0.99 0.000 1.00 0.64
ILE18 HD11 1.00 0.000 1.00 16.84
ILE18 H 0.94 0.000 1.00 -3459.00

Detailed Probabilities of ILE(18)-H:

Overall probability: 0.931
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS17 0.84 1.00
ILE18 1.00 1.00
LYS19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K17H 1.00
K17HG2 0.97
K17HG3 0.96
K17HA 1.00
K17HB2 1.00
K17HB3 1.00
I18HA 1.00
I18HB 1.00
I18HG12 1.00
I18HG13 1.00
I18HG21 1.00
I18H 1.00
K19H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS17 HA 1.00 0.000 1.00 0.02
LYS17 HB2 1.00 0.000 1.00 0.02
LYS17 HB3 1.00 0.000 1.00 0.02
LYS17 HG2 0.97 1.202 0.03 0.00
LYS17 HG3 0.96 0.000 1.00 0.00
LYS17 H 1.00 0.000 1.00 -4626.00
ILE18 HA 1.00 0.000 1.00 0.06
ILE18 HB 1.00 0.000 1.00 0.11
ILE18 HG12 1.00 0.000 1.00 0.04
ILE18 HG13 1.00 0.000 1.00 0.02
ILE18 HG21 1.00 0.000 1.00 0.04
ILE18 H 1.00 0.000 1.00 -37860.00
ILE18 HD11 0.94 0.000 1.00 0.10
LYS19 H 1.00 0.000 1.00 -4545.00