ARECA's report on ILE116

Residue probability: 0.807
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.016 175.926 2.710 0.000 0.000
CA 64.122 61.717 4.152 0.923 1.000
CB 36.323 38.702 3.945 0.875 1.000
CG1 28.888 27.785 2.037 0.750 1.000
CG2 18.105 17.574 1.928 0.889 1.000
CD1 13.410 13.545 3.646 0.714 1.000
N 120.613 121.467 6.098 0.895 1.000
HA 3.460 4.185 1.403 0.818 1.000
HB 1.630 1.776 0.310 0.667 1.000
HG12 1.584 1.271 0.411 0.315 1.000
HG13 0.970 1.186 0.426 0.857 1.000
HG2 0.043 0.762 0.283 1.000 1.000
HD1 0.680 0.668 0.293 0.857 1.000
H 8.004 8.301 0.685 0.932 1.000

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Detailed Probabilities of ILE(116)-CA:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 1.00 1.00
ILE116 1.00 1.00
VAL117 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 1.00
I116HD11 0.97
I116H 1.00
I116HA 1.00
V117HA 1.00
V117H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.010 1.00 0.07
LYS115 HB2 0.67 0.008 1.00 0.07
LYS115 HB3 0.85 0.014 1.00 0.07
ILE116 HA 1.00 0.002 1.00 3.84
ILE116 HB 1.00 0.025 1.00 0.49
ILE116 HG12 1.00 0.021 1.00 0.49
ILE116 HG13 1.00 0.004 1.00 0.42
ILE116 HG21 1.00 0.001 1.00 0.61
ILE116 HD11 0.97 0.001 1.00 0.38
ILE116 H 1.00 0.009 1.00 0.37
VAL117 HA 1.00 0.202 0.00 0.00
VAL117 H 1.00 0.000 1.00 0.13
VAL117 HG21 0.53 0.003 1.00 0.10

Detailed Probabilities of ILE(116)-CB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.86 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 1.00
I116HD11 1.00
I116H 1.00
I116HB 1.00
V117H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.005 1.00 0.23
ILE116 HB 1.00 0.002 1.00 2.04
ILE116 HG12 1.00 0.048 0.00 0.00
ILE116 HG13 1.00 0.003 1.00 0.20
ILE116 HG21 1.00 0.001 1.00 0.63
ILE116 HD11 1.00 0.003 1.00 0.61
ILE116 H 1.00 0.010 1.00 0.54
VAL117 H 1.00 0.002 1.00 0.30

Detailed Probabilities of ILE(116)-CG1:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.71 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HB 1.00
I116HG13 1.00
I116HG21 1.00
I116HD11 1.00
I116H 1.00
I116HG12 1.00
V117H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.004 1.00 0.33
ILE116 HB 1.00 0.355 0.00 0.00
ILE116 HG12 1.00 0.309 0.00 0.00
ILE116 HG13 1.00 0.004 1.00 1.60
ILE116 HG21 1.00 0.001 1.00 0.33
ILE116 HD11 1.00 0.001 1.00 0.95
ILE116 H 1.00 0.002 1.00 0.48
VAL117 H 0.98 0.001 1.00 0.07

Detailed Probabilities of ILE(116)-CG2:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.86 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG22 1.00
I116HD11 0.99
I116H 1.00
V117H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.005 1.00 0.48
ILE116 HB 1.00 0.002 1.00 0.78
ILE116 HG12 1.00 0.044 0.00 0.00
ILE116 HG13 1.00 0.005 1.00 0.39
ILE116 HG21 1.00 0.001 1.00 12.63
ILE116 HD11 0.99 0.005 1.00 1.18
ILE116 H 1.00 0.015 1.00 0.19
VAL117 H 0.99 0.007 1.00 0.18
VAL117 HA 0.67 0.000 1.00 0.08

Detailed Probabilities of ILE(116)-CD1:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 0.97
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 0.99
I116HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 0.97 0.009 1.00 0.43
ILE116 HB 1.00 0.262 0.00 0.00
ILE116 HG12 1.00 0.216 0.00 0.00
ILE116 HG13 1.00 0.004 1.00 1.59
ILE116 HG21 0.99 0.001 1.00 1.68
ILE116 HD11 1.00 0.008 1.00 59.32
ILE116 H 0.94 0.005 1.00 0.38

Detailed Probabilities of ILE(116)-N:

Overall probability: 0.895
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.84 1.00
ILE116 0.93 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K115H 1.00
K115HG2 0.97
K115HG3 0.96
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
I116HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 1.00
I116H 1.00
V117H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.001 1.00 -405817.00
LYS115 HB2 1.00 0.008 1.00 -631174.00
LYS115 HB3 1.00 0.002 1.00 -631174.00
LYS115 HG2 0.97 0.058 0.03 0.00
LYS115 HG3 0.96 0.006 1.00 -127419.00
LYS115 H 1.00 0.003 1.00 -642492.00
ILE116 HA 1.00 0.001 1.00 -499676.00
ILE116 HB 1.00 0.011 1.00 -1323370.00
ILE116 HG12 1.00 0.035 0.50 0.00
ILE116 HG13 1.00 0.005 1.00 -514257.00
ILE116 HG21 1.00 0.001 1.00 -339550.00
ILE116 H 1.00 0.002 1.00 -5371222.00
ILE116 HD11 0.94 0.003 1.00 -519532.00
VAL117 H 1.00 0.000 1.00 -767490.00

Detailed Probabilities of ILE(116)-HA:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.00 1.00
ILE116 1.00 1.00
VAL117 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 1.00
I116HD11 0.97
I116H 1.00
I116HA 1.00
V117HA 1.00
V117H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.304 0.00 0.00
ILE116 HA 1.00 0.002 1.00 3.84
ILE116 HB 1.00 0.005 1.00 0.23
ILE116 HG12 1.00 0.004 1.00 0.33
ILE116 HG13 1.00 0.000 1.00 0.40
ILE116 HG21 1.00 0.005 1.00 0.48
ILE116 HD11 0.97 0.009 1.00 0.43
ILE116 H 1.00 0.001 1.00 -499676.00
VAL117 HA 1.00 0.198 0.00 0.00
VAL117 H 1.00 0.005 1.00 -199285.00
VAL117 HG21 0.53 0.022 1.00 0.06

Detailed Probabilities of ILE(116)-HB:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.57 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 1.00
I116HD11 1.00
I116H 1.00
I116HB 1.00
V117H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.025 1.00 0.49
ILE116 HB 1.00 0.002 1.00 2.04
ILE116 HG12 1.00 0.355 0.00 0.00
ILE116 HG13 1.00 0.040 0.00 0.00
ILE116 HG21 1.00 0.002 1.00 0.78
ILE116 HD11 1.00 0.262 0.00 0.00
ILE116 H 1.00 0.011 1.00 -1323370.00
VAL117 H 1.00 0.001 1.00 -892233.00
VAL117 HA 0.89 0.006 1.00 0.06

Detailed Probabilities of ILE(116)-HG12:

Overall probability: 0.315
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.36 1.00
VAL117 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HB 1.00
I116HG13 1.00
I116HG21 1.00
I116HD11 1.00
I116H 1.00
I116HG12 1.00
V117H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.021 1.00 0.49
ILE116 HB 1.00 0.048 0.00 0.00
ILE116 HG12 1.00 0.309 0.00 0.00
ILE116 HG13 1.00 0.006 1.00 1.62
ILE116 HG21 1.00 0.044 0.00 0.00
ILE116 HD11 1.00 0.216 0.00 0.00
ILE116 H 1.00 0.035 0.50 0.00
VAL117 H 0.98 0.047 0.02 0.00

Detailed Probabilities of ILE(116)-HG13:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG21 1.00
I116HD11 1.00
I116H 1.00
I116HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.004 1.00 0.42
ILE116 HB 1.00 0.003 1.00 0.20
ILE116 HG12 1.00 0.004 1.00 1.60
ILE116 HG13 1.00 0.172 0.00 0.00
ILE116 HG21 1.00 0.005 1.00 0.39
ILE116 HD11 1.00 0.004 1.00 1.59
ILE116 H 1.00 0.005 1.00 -514257.00

Detailed Probabilities of ILE(116)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 1.00 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG22 1.00
I116HD11 0.99
I116H 1.00
V117H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 1.00 0.001 1.00 0.61
ILE116 HB 1.00 0.001 1.00 0.63
ILE116 HG12 1.00 0.001 1.00 0.33
ILE116 HG13 1.00 0.001 1.00 0.41
ILE116 HG21 1.00 0.001 1.00 12.63
ILE116 HD11 0.99 0.001 1.00 1.68
ILE116 H 1.00 0.001 1.00 -339550.00
VAL117 H 0.99 0.002 1.00 -385811.00
VAL117 HA 0.67 0.003 1.00 0.17

Detailed Probabilities of ILE(116)-HD11:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE116 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I116HA 0.97
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 0.99
I116HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE116 HA 0.97 0.001 1.00 0.38
ILE116 HB 1.00 0.003 1.00 0.61
ILE116 HG12 1.00 0.001 1.00 0.95
ILE116 HG13 1.00 0.118 0.00 0.00
ILE116 HG21 0.99 0.005 1.00 1.18
ILE116 HD11 1.00 0.008 1.00 59.32
ILE116 H 0.94 0.003 1.00 -519532.00

Detailed Probabilities of ILE(116)-H:

Overall probability: 0.932
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.86 1.00
ILE116 1.00 1.00
VAL117 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K115H 1.00
K115HG2 0.97
K115HG3 0.96
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
I116HA 1.00
I116HB 1.00
I116HG12 1.00
I116HG13 1.00
I116HG21 1.00
I116H 1.00
V117H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.027 1.00 0.77
LYS115 HB2 1.00 0.027 1.00 1.13
LYS115 HB3 1.00 0.027 1.00 1.13
LYS115 HG2 0.97 0.032 0.80 0.00
LYS115 HG3 0.96 0.173 0.04 0.00
LYS115 H 1.00 0.002 1.00 -883825.00
LYS115 HD2 0.54 0.030 1.00 0.00
LYS115 HD3 0.55 0.030 1.00 0.00
ILE116 HA 1.00 0.009 1.00 0.37
ILE116 HB 1.00 0.010 1.00 0.54
ILE116 HG12 1.00 0.002 1.00 0.48
ILE116 HG13 1.00 0.003 1.00 0.39
ILE116 HG21 1.00 0.015 1.00 0.19
ILE116 H 1.00 0.002 1.00 -5371222.00
ILE116 HD11 0.94 0.005 1.00 0.38
VAL117 H 1.00 0.024 1.00 -1466097.00
VAL117 HA 0.92 0.025 1.00 0.19