ARECA's report on ILE89

Residue probability: 0.897
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.213 175.926 2.710 0.000 0.000
CA 65.923 61.717 4.152 0.909 1.000
CB 37.729 38.702 3.945 0.778 1.000
CG1 29.383 27.785 2.037 1.000 1.000
CG2 16.176 17.574 1.928 1.000 1.000
CD1 15.665 13.545 3.646 0.857 1.000
N 124.521 121.467 6.098 1.000 1.000
HA 3.207 4.185 1.403 0.727 1.000
HB 1.452 1.776 0.310 0.778 1.000
HG12 1.830 1.271 0.411 0.750 1.000
HG13 0.582 1.186 0.426 1.000 1.000
HG2 -0.220 0.762 0.283 1.000 1.000
HD1 0.861 0.668 0.293 0.857 1.000
H 8.154 8.301 0.685 1.000 1.000

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Detailed Probabilities of ILE(89)-CA:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 0.50 1.00
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 1.00
I89HD11 0.97
I89H 1.00
I89HA 1.00
Y90HA 1.00
Y90H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.296 0.00 0.00
ASP88 HB2 0.59 0.006 1.00 0.05
ILE89 HA 1.00 0.002 1.00 5.18
ILE89 HB 1.00 0.001 1.00 0.26
ILE89 HG12 1.00 0.000 1.00 0.49
ILE89 HG13 1.00 0.005 1.00 0.62
ILE89 HG21 1.00 0.000 1.00 0.77
ILE89 HD11 0.97 0.002 1.00 0.47
ILE89 H 1.00 0.003 1.00 0.40
TYR90 HA 1.00 0.021 1.00 0.12
TYR90 H 1.00 0.003 1.00 0.11

Detailed Probabilities of ILE(89)-CB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 0.71 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 1.00
I89HD11 1.00
I89H 1.00
I89HB 1.00
Y90H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.000 1.00 0.40
ILE89 HB 1.00 0.175 0.00 0.00
ILE89 HG12 1.00 0.088 0.00 0.00
ILE89 HG13 1.00 0.012 1.00 0.22
ILE89 HG21 1.00 0.001 1.00 0.70
ILE89 HD11 1.00 0.004 1.00 1.15
ILE89 H 1.00 0.006 1.00 0.59
TYR90 H 1.00 0.003 1.00 0.37
TYR90 HA 0.90 0.020 1.00 0.05

Detailed Probabilities of ILE(89)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG21 1.00
I89HD11 1.00
I89H 1.00
I89HG13 1.00
Y90H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.000 1.00 0.34
ILE89 HB 1.00 0.002 1.00 0.19
ILE89 HG12 1.00 0.000 1.00 1.08
ILE89 HG13 1.00 0.002 1.00 1.25
ILE89 HG21 1.00 0.003 1.00 0.38
ILE89 HD11 1.00 0.001 1.00 0.87
ILE89 H 1.00 0.003 1.00 0.31
TYR90 H 0.96 0.005 1.00 0.05

Detailed Probabilities of ILE(89)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG22 1.00
I89HD11 0.99
I89H 1.00
Y90H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.001 1.00 0.73
ILE89 HB 1.00 0.002 1.00 0.82
ILE89 HG12 1.00 0.008 1.00 0.45
ILE89 HG13 1.00 0.002 1.00 0.72
ILE89 HG21 1.00 0.000 1.00 18.23
ILE89 HD11 0.99 0.001 1.00 1.70
ILE89 H 1.00 0.006 1.00 0.25
TYR90 H 0.98 0.002 1.00 0.20
TYR90 HA 0.66 0.011 1.00 0.16

Detailed Probabilities of ILE(89)-CD1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 0.97
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 0.99
I89HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 0.97 0.002 1.00 0.39
ILE89 HB 1.00 0.001 1.00 0.88
ILE89 HG12 1.00 0.006 1.00 1.31
ILE89 HG13 1.00 0.004 1.00 1.75
ILE89 HG21 0.99 0.001 1.00 2.03
ILE89 HD11 1.00 0.275 0.00 0.00
ILE89 H 0.94 0.007 1.00 0.48

Detailed Probabilities of ILE(89)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 1.00 1.00
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HB3 1.00
D88HA 1.00
D88HB2 1.00
D88H 1.00
I89HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 1.00
I89H 1.00
Y90H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.005 1.00 -327917.00
ASP88 HB2 1.00 0.005 1.00 -393719.00
ASP88 HB3 1.00 0.005 1.00 -263018.00
ASP88 H 1.00 0.006 1.00 -1137509.00
ILE89 HA 1.00 0.000 1.00 -641488.00
ILE89 HB 1.00 0.001 1.00 -1073309.00
ILE89 HG12 1.00 0.004 1.00 -1011016.00
ILE89 HG13 1.00 0.007 1.00 -569155.00
ILE89 HG21 1.00 0.001 1.00 -412745.00
ILE89 H 1.00 0.005 1.00 -6725735.00
ILE89 HD11 0.94 0.001 1.00 -838871.00
TYR90 H 1.00 0.000 1.00 -803659.00
TYR90 HA 0.95 0.003 1.00 -85527.00

Detailed Probabilities of ILE(89)-HA:

Overall probability: 0.727
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 0.50 1.00
ILE89 1.00 1.00
TYR90 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 1.00
I89HD11 0.97
I89H 1.00
I89HA 1.00
Y90HA 1.00
Y90H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.195 0.00 0.00
ASP88 H 0.91 0.001 1.00 -113360.00
ILE89 HA 1.00 0.002 1.00 5.18
ILE89 HB 1.00 0.000 1.00 0.40
ILE89 HG12 1.00 0.002 1.00 0.37
ILE89 HG13 1.00 0.000 1.00 0.34
ILE89 HG21 1.00 0.001 1.00 0.73
ILE89 HD11 0.97 0.002 1.00 0.39
ILE89 H 1.00 0.000 1.00 -641488.00
TYR90 HA 1.00 0.053 0.00 0.00
TYR90 H 1.00 0.048 0.00 0.00

Detailed Probabilities of ILE(89)-HB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 0.71 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 1.00
I89HD11 1.00
I89H 1.00
I89HB 1.00
Y90H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.001 1.00 0.26
ILE89 HB 1.00 0.175 0.00 0.00
ILE89 HG12 1.00 0.078 0.00 0.00
ILE89 HG13 1.00 0.002 1.00 0.19
ILE89 HG21 1.00 0.002 1.00 0.82
ILE89 HD11 1.00 0.001 1.00 0.88
ILE89 H 1.00 0.001 1.00 -1073309.00
TYR90 H 1.00 0.005 1.00 -823444.00
TYR90 HA 0.90 0.010 1.00 0.10

Detailed Probabilities of ILE(89)-HG12:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 0.71 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HB 1.00
I89HG13 1.00
I89HG21 1.00
I89HD11 1.00
I89H 1.00
I89HG12 1.00
Y90H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.000 1.00 0.49
ILE89 HB 1.00 0.088 0.00 0.00
ILE89 HG12 1.00 0.456 0.00 0.00
ILE89 HG13 1.00 0.000 1.00 1.08
ILE89 HG21 1.00 0.008 1.00 0.45
ILE89 HD11 1.00 0.006 1.00 1.31
ILE89 H 1.00 0.004 1.00 -1011016.00
TYR90 H 0.99 0.006 1.00 -197538.00

Detailed Probabilities of ILE(89)-HG13:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG21 1.00
I89HD11 1.00
I89H 1.00
I89HG13 1.00
Y90H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.005 1.00 0.62
ILE89 HB 1.00 0.012 1.00 0.22
ILE89 HG12 1.00 0.009 1.00 1.22
ILE89 HG13 1.00 0.002 1.00 1.25
ILE89 HG21 1.00 0.002 1.00 0.72
ILE89 HD11 1.00 0.004 1.00 1.75
ILE89 H 1.00 0.007 1.00 -569155.00
TYR90 H 0.96 0.003 1.00 -164233.00

Detailed Probabilities of ILE(89)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG22 1.00
I89HD11 0.99
I89H 1.00
Y90H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 1.00 0.000 1.00 0.77
ILE89 HB 1.00 0.001 1.00 0.70
ILE89 HG12 1.00 0.001 1.00 0.31
ILE89 HG13 1.00 0.003 1.00 0.38
ILE89 HG21 1.00 0.000 1.00 18.23
ILE89 HD11 0.99 0.001 1.00 2.03
ILE89 H 1.00 0.001 1.00 -412745.00
TYR90 H 0.98 0.001 1.00 -410056.00
TYR90 HA 0.66 0.002 1.00 0.15

Detailed Probabilities of ILE(89)-HD11:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE89 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I89HA 0.97
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 0.99
I89HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE89 HA 0.97 0.002 1.00 0.47
ILE89 HB 1.00 0.004 1.00 1.15
ILE89 HG12 1.00 0.002 1.00 0.93
ILE89 HG13 1.00 0.001 1.00 0.87
ILE89 HG21 0.99 0.001 1.00 1.70
ILE89 HD11 1.00 0.275 0.00 0.00
ILE89 H 0.94 0.001 1.00 -838871.00

Detailed Probabilities of ILE(89)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 1.00 1.00
ILE89 1.00 1.00
TYR90 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HB3 1.00
D88HA 1.00
D88HB2 1.00
D88H 1.00
I89HA 1.00
I89HB 1.00
I89HG12 1.00
I89HG13 1.00
I89HG21 1.00
I89H 1.00
Y90H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.008 1.00 0.28
ASP88 HB2 1.00 0.013 1.00 0.21
ASP88 HB3 1.00 0.007 1.00 0.19
ASP88 H 1.00 0.006 1.00 -1636305.00
ILE89 HA 1.00 0.003 1.00 0.40
ILE89 HB 1.00 0.006 1.00 0.59
ILE89 HG12 1.00 0.007 1.00 0.46
ILE89 HG13 1.00 0.003 1.00 0.31
ILE89 HG21 1.00 0.006 1.00 0.25
ILE89 H 1.00 0.005 1.00 -6725735.00
ILE89 HD11 0.94 0.007 1.00 0.48
TYR90 H 1.00 0.002 1.00 -965316.00