ARECA's report on ILE58

Residue probability: 0.881
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.794 175.926 2.710 0.000 0.000
CA 61.245 61.717 4.152 0.945 1.000
CB 37.027 38.702 3.945 0.875 1.000
CG1 27.306 27.785 2.037 0.925 1.000
CG2 16.401 17.574 1.928 0.750 1.000
CD1 14.551 13.545 3.646 1.000 1.000
N 122.998 121.467 6.098 0.941 1.000
HA 3.859 4.185 1.403 0.909 1.000
HB 2.122 1.776 0.310 0.875 1.000
HG12 1.720 1.271 0.411 0.875 1.000
HG13 0.911 1.186 0.426 0.556 1.000
HG2 0.870 0.762 0.283 0.800 1.000
HD1 0.774 0.668 0.293 1.000 1.000
H 7.403 8.301 0.685 1.000 1.000

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Detailed Probabilities of ILE(58)-CA:

Overall probability: 0.945
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 1.00 1.00
ILE58 0.91 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 1.00
I58HD11 0.97
I58H 1.00
I58HA 1.00
E59HA 1.00
E59H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.009 1.00 0.09
ARG57 H 0.93 0.004 1.00 0.07
ILE58 HA 1.00 0.002 1.00 6.91
ILE58 HB 1.00 0.004 1.00 0.46
ILE58 HG12 1.00 0.003 1.00 0.53
ILE58 HG13 1.00 0.036 0.40 0.00
ILE58 HG21 1.00 0.005 1.00 1.77
ILE58 HD11 0.97 0.002 1.00 0.66
ILE58 H 1.00 0.002 1.00 0.61
GLU59 HA 1.00 0.009 1.00 0.31
GLU59 H 1.00 0.001 1.00 2.81

Detailed Probabilities of ILE(58)-CB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.86 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 1.00
I58HD11 1.00
I58H 1.00
I58HB 1.00
E59H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.003 1.00 0.31
ILE58 HB 1.00 0.000 1.00 3.58
ILE58 HG12 1.00 0.006 1.00 0.50
ILE58 HG13 1.00 0.041 0.00 0.00
ILE58 HG21 1.00 0.000 1.00 1.67
ILE58 HD11 1.00 0.007 1.00 1.96
ILE58 H 1.00 0.001 1.00 1.09
GLU59 H 1.00 0.003 1.00 0.11

Detailed Probabilities of ILE(58)-CG1:

Overall probability: 0.925
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.91 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG21 1.00
I58HD11 1.00
I58H 1.00
I58HG13 1.00
E59H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.001 1.00 0.39
ILE58 HB 1.00 0.001 1.00 0.31
ILE58 HG12 1.00 0.005 1.00 3.06
ILE58 HG13 1.00 0.005 1.00 2.26
ILE58 HG21 1.00 0.036 0.40 0.00
ILE58 HD11 1.00 0.007 1.00 1.30
ILE58 H 1.00 0.000 1.00 0.45
GLU59 H 0.95 0.008 1.00 0.10

Detailed Probabilities of ILE(58)-CG2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.71 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG22 1.00
I58HD11 0.99
I58H 1.00
E59H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.001 1.00 1.12
ILE58 HB 1.00 0.001 1.00 1.55
ILE58 HG12 1.00 0.196 0.00 0.00
ILE58 HG13 1.00 0.045 0.00 0.00
ILE58 HG21 1.00 0.004 1.00 40.87
ILE58 HD11 0.99 0.020 1.00 4.79
ILE58 H 1.00 0.003 1.00 0.44
GLU59 H 0.98 0.004 1.00 0.79

Detailed Probabilities of ILE(58)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 0.97
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 0.99
I58HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 0.97 0.000 1.00 0.41
ILE58 HB 1.00 0.002 1.00 1.36
ILE58 HG12 1.00 0.003 1.00 1.92
ILE58 HG13 1.00 0.030 1.00 0.00
ILE58 HG21 0.99 0.011 1.00 4.92
ILE58 HD11 1.00 0.008 1.00 40.86
ILE58 H 0.94 0.002 1.00 0.67

Detailed Probabilities of ILE(58)-N:

Overall probability: 0.941
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 0.86 1.00
ILE58 1.00 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG3 0.96
R57H 1.00
R57HG2 0.97
I58HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 1.00
I58H 1.00
E59H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.006 1.00 -573961.00
ARG57 HB2 1.00 0.020 1.00 -502973.00
ARG57 HB3 1.00 0.070 0.00 0.00
ARG57 HG2 0.97 0.008 1.00 -1758592.00
ARG57 HG3 0.96 0.026 1.00 -502973.00
ARG57 H 1.00 0.002 1.00 -2091708.00
ARG57 HD2 0.56 0.008 1.00 -166840.00
ILE58 HA 1.00 0.003 1.00 -1000056.00
ILE58 HB 1.00 0.001 1.00 -2791469.00
ILE58 HG12 1.00 0.001 1.00 -1758592.00
ILE58 HG13 1.00 0.026 1.00 -1675496.00
ILE58 HG21 1.00 0.015 1.00 -1675496.00
ILE58 H 1.00 0.003 1.00 -14261727.00
ILE58 HD11 0.94 0.006 1.00 -1758628.00
GLU59 H 1.00 0.002 1.00 -323521.00
GLU59 HA 0.93 0.022 1.00 -400644.00
GLU59 HB2 0.55 0.023 1.00 -502973.00

Detailed Probabilities of ILE(58)-HA:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 1.00 1.00
ILE58 1.00 1.00
GLU59 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 1.00
I58HD11 0.97
I58H 1.00
I58HA 1.00
E59HA 1.00
E59H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.012 1.00 0.08
ARG57 H 0.93 0.014 1.00 -197457.00
ILE58 HA 1.00 0.002 1.00 6.91
ILE58 HB 1.00 0.003 1.00 0.31
ILE58 HG12 1.00 0.000 1.00 0.38
ILE58 HG13 1.00 0.001 1.00 0.39
ILE58 HG21 1.00 0.001 1.00 1.12
ILE58 HD11 0.97 0.000 1.00 0.41
ILE58 H 1.00 0.003 1.00 -1000056.00
GLU59 HA 1.00 0.141 0.00 0.00
GLU59 H 1.00 0.002 1.00 -5666734.00

Detailed Probabilities of ILE(58)-HB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.86 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 1.00
I58HD11 1.00
I58H 1.00
I58HB 1.00
E59H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.004 1.00 0.46
ILE58 HB 1.00 0.000 1.00 3.58
ILE58 HG12 1.00 0.076 0.00 0.00
ILE58 HG13 1.00 0.001 1.00 0.31
ILE58 HG21 1.00 0.001 1.00 1.55
ILE58 HD11 1.00 0.002 1.00 1.36
ILE58 H 1.00 0.001 1.00 -2791469.00
GLU59 H 1.00 0.008 1.00 -401962.00

Detailed Probabilities of ILE(58)-HG12:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.86 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HB 1.00
I58HG13 1.00
I58HG21 1.00
I58HD11 1.00
I58H 1.00
I58HG12 1.00
E59H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.003 1.00 0.53
ILE58 HB 1.00 0.006 1.00 0.50
ILE58 HG12 1.00 0.010 1.00 27.01
ILE58 HG13 1.00 0.005 1.00 3.06
ILE58 HG21 1.00 0.196 0.00 0.00
ILE58 HD11 1.00 0.003 1.00 1.92
ILE58 H 1.00 0.001 1.00 -1758592.00
GLU59 H 0.98 0.000 1.00 -328925.00

Detailed Probabilities of ILE(58)-HG13:

Overall probability: 0.556
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.63 1.00
GLU59 0.05 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG21 1.00
I58HD11 1.00
I58H 1.00
I58HG13 1.00
E59H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.036 0.40 0.00
ILE58 HB 1.00 0.041 0.00 0.00
ILE58 HG12 1.00 0.001 1.00 3.90
ILE58 HG13 1.00 0.005 1.00 2.26
ILE58 HG21 1.00 0.045 0.00 0.00
ILE58 HD11 1.00 0.030 1.00 0.00
ILE58 H 1.00 0.026 1.00 -1675496.00
GLU59 H 0.95 0.041 0.05 0.00

Detailed Probabilities of ILE(58)-HG21:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 0.77 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG22 1.00
I58HD11 0.99
I58H 1.00
E59H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 1.00 0.005 1.00 1.77
ILE58 HB 1.00 0.000 1.00 1.67
ILE58 HG12 1.00 0.042 0.00 0.00
ILE58 HG13 1.00 0.036 0.40 0.00
ILE58 HG21 1.00 0.004 1.00 40.87
ILE58 HD11 0.99 0.011 1.00 4.92
ILE58 H 1.00 0.015 1.00 -1675496.00
GLU59 H 0.98 0.000 1.00 -2197467.00

Detailed Probabilities of ILE(58)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE58 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I58HA 0.97
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 0.99
I58HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE58 HA 0.97 0.002 1.00 0.66
ILE58 HB 1.00 0.007 1.00 1.96
ILE58 HG12 1.00 0.002 1.00 1.47
ILE58 HG13 1.00 0.007 1.00 1.30
ILE58 HG21 0.99 0.020 1.00 4.79
ILE58 HD11 1.00 0.008 1.00 40.86
ILE58 H 0.94 0.006 1.00 -1758628.00

Detailed Probabilities of ILE(58)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG57 1.00 1.00
ILE58 1.00 1.00
GLU59 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R57HA 1.00
R57HB2 1.00
R57HB3 1.00
R57HG3 0.96
R57H 1.00
R57HG2 0.97
I58HA 1.00
I58HB 1.00
I58HG12 1.00
I58HG13 1.00
I58HG21 1.00
I58H 1.00
E59H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG57 HA 1.00 0.002 1.00 0.29
ARG57 HB2 1.00 0.007 1.00 0.13
ARG57 HB3 1.00 0.002 1.00 0.09
ARG57 HG2 0.97 0.001 1.00 0.83
ARG57 HG3 0.96 0.002 1.00 0.15
ARG57 H 1.00 0.002 1.00 -2502456.00
ILE58 HA 1.00 0.002 1.00 0.61
ILE58 HB 1.00 0.001 1.00 1.09
ILE58 HG12 1.00 0.001 1.00 0.83
ILE58 HG13 1.00 0.000 1.00 0.45
ILE58 HG21 1.00 0.003 1.00 0.44
ILE58 H 1.00 0.003 1.00 -14261727.00
ILE58 HD11 0.94 0.002 1.00 0.67
GLU59 H 1.00 0.002 1.00 -393504.00
GLU59 HA 0.93 0.011 1.00 0.15