ARECA's report on ILE97

Residue probability: 0.941
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.284 175.926 2.710 0.000 0.000
CA 62.569 61.717 4.152 0.818 1.000
CB 37.206 38.702 3.945 0.922 1.000
CG1 27.265 27.785 2.037 1.000 1.000
CG2 18.753 17.574 1.928 1.000 1.000
CD1 11.899 13.545 3.646 1.000 1.000
N 118.550 121.467 6.098 0.826 1.000
HA 3.938 4.185 1.403 0.900 1.000
HB 1.808 1.776 0.310 1.000 1.000
HG12 1.003 1.271 0.411 0.877 1.000
HG13 0.925 1.186 0.426 0.987 1.000
HG2 0.682 0.762 0.283 0.933 1.000
HD1 0.363 0.668 0.293 1.000 1.000
H 7.831 8.301 0.685 0.975 1.000

[Back]

Detailed Probabilities of ILE(97)-CA:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS96 0.50 1.00
ILE97 1.00 1.00
GLU98 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K96HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 1.00
I97HD11 0.97
I97H 1.00
I97HA 1.00
E98HA 1.00
E98H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS96 HA 1.00 0.127 0.00 0.00
LYS96 HB3 0.85 0.026 1.00 0.07
ILE97 HA 1.00 0.000 1.00 14.42
ILE97 HB 1.00 0.007 1.00 0.40
ILE97 HG12 1.00 0.003 1.00 0.22
ILE97 HG13 1.00 0.005 1.00 0.43
ILE97 HG21 1.00 0.009 1.00 0.98
ILE97 HD11 0.97 0.005 1.00 0.57
ILE97 H 1.00 0.001 1.00 0.46
GLU98 HA 1.00 0.187 0.00 0.00
GLU98 H 1.00 0.009 1.00 0.21

Detailed Probabilities of ILE(97)-CB:

Overall probability: 0.922
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 0.90 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 1.00
I97HD11 1.00
I97H 1.00
I97HB 1.00
E98H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.005 1.00 0.30
ILE97 HB 1.00 0.011 1.00 5.18
ILE97 HG12 1.00 0.013 1.00 0.36
ILE97 HG13 1.00 0.031 0.90 0.00
ILE97 HG21 1.00 0.036 0.40 0.00
ILE97 HD11 1.00 0.007 1.00 0.41
ILE97 H 1.00 0.000 1.00 0.59
GLU98 H 1.00 0.005 1.00 0.27
GLU98 HA 0.87 0.001 1.00 0.06

Detailed Probabilities of ILE(97)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 1.00 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HB 1.00
I97HG13 1.00
I97HG21 1.00
I97HD11 1.00
I97H 1.00
I97HG12 1.00
E98H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.014 1.00 0.23
ILE97 HB 1.00 0.018 1.00 0.52
ILE97 HG12 1.00 0.018 1.00 3.42
ILE97 HG13 1.00 0.005 1.00 2.57
ILE97 HG21 1.00 0.005 1.00 0.72
ILE97 HD11 1.00 0.006 1.00 1.03
ILE97 H 1.00 0.001 1.00 0.46
GLU98 H 0.98 0.006 1.00 0.07

Detailed Probabilities of ILE(97)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 1.00 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG22 1.00
I97HD11 0.99
I97H 1.00
E98H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.008 1.00 0.79
ILE97 HB 1.00 0.007 1.00 1.21
ILE97 HG12 1.00 0.018 1.00 0.38
ILE97 HG13 1.00 0.014 1.00 1.46
ILE97 HG21 1.00 0.002 1.00 25.54
ILE97 HD11 0.99 0.007 1.00 1.84
ILE97 H 1.00 0.002 1.00 0.41
GLU98 H 0.98 0.003 1.00 0.25
GLU98 HA 0.67 0.006 1.00 0.14

Detailed Probabilities of ILE(97)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 0.97
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 0.99
I97HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 0.97 0.008 1.00 0.71
ILE97 HB 1.00 0.003 1.00 0.62
ILE97 HG12 1.00 0.014 1.00 1.02
ILE97 HG13 1.00 0.007 1.00 1.67
ILE97 HG21 0.99 0.003 1.00 1.58
ILE97 HD11 1.00 0.005 1.00 49.53
ILE97 H 0.94 0.003 1.00 0.39

Detailed Probabilities of ILE(97)-N:

Overall probability: 0.826
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS96 0.63 1.00
ILE97 1.00 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K96H 1.00
K96HG2 0.97
K96HG3 0.96
K96HA 1.00
K96HB2 1.00
K96HB3 1.00
I97HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 1.00
I97H 1.00
E98H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS96 HA 1.00 0.007 1.00 -365161.00
LYS96 HB2 1.00 0.066 0.00 0.00
LYS96 HB3 1.00 0.004 1.00 -1741079.00
LYS96 HG2 0.97 0.029 1.00 -823304.00
LYS96 HG3 0.96 0.101 0.04 0.00
LYS96 H 1.00 0.040 0.00 0.00
LYS96 HD2 0.54 0.022 1.00 -1065772.00
LYS96 HD3 0.55 0.020 1.00 -1065772.00
ILE97 HA 1.00 0.001 1.00 -562370.00
ILE97 HB 1.00 0.012 1.00 -772761.00
ILE97 HG12 1.00 0.005 1.00 -423300.00
ILE97 HG13 1.00 0.017 1.00 -738227.00
ILE97 HG21 1.00 0.006 1.00 -336861.00
ILE97 H 1.00 0.005 1.00 -12164598.00
ILE97 HD11 0.94 0.005 1.00 -262683.00
GLU98 H 1.00 0.009 1.00 -561188.00
GLU98 HA 0.93 0.006 1.00 -85119.00

Detailed Probabilities of ILE(97)-HA:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS96 0.00 1.00
ILE97 1.00 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K96HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 1.00
I97HD11 0.97
I97H 1.00
I97HA 1.00
E98HA 1.00
E98H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS96 HA 1.00 0.104 0.00 0.00
ILE97 HA 1.00 0.000 1.00 14.42
ILE97 HB 1.00 0.005 1.00 0.30
ILE97 HG12 1.00 0.014 1.00 0.23
ILE97 HG13 1.00 0.002 1.00 0.21
ILE97 HG21 1.00 0.008 1.00 0.79
ILE97 HD11 0.97 0.008 1.00 0.71
ILE97 H 1.00 0.001 1.00 -562370.00
GLU98 HA 1.00 0.009 1.00 0.06
GLU98 H 1.00 0.010 1.00 -240581.00

Detailed Probabilities of ILE(97)-HB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 1.00 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 1.00
I97HD11 1.00
I97H 1.00
I97HB 1.00
E98H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.007 1.00 0.40
ILE97 HB 1.00 0.011 1.00 5.18
ILE97 HG12 1.00 0.018 1.00 0.52
ILE97 HG13 1.00 0.026 1.00 0.90
ILE97 HG21 1.00 0.007 1.00 1.21
ILE97 HD11 1.00 0.003 1.00 0.62
ILE97 H 1.00 0.012 1.00 -772761.00
GLU98 H 1.00 0.007 1.00 -382852.00
GLU98 HA 0.87 0.012 1.00 0.11

Detailed Probabilities of ILE(97)-HG12:

Overall probability: 0.877
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 1.00 1.00
GLU98 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HB 1.00
I97HG13 1.00
I97HG21 1.00
I97HD11 1.00
I97H 1.00
I97HG12 1.00
E98H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.003 1.00 0.22
ILE97 HB 1.00 0.013 1.00 0.36
ILE97 HG12 1.00 0.018 1.00 3.42
ILE97 HG13 1.00 0.014 1.00 2.24
ILE97 HG21 1.00 0.018 1.00 0.38
ILE97 HD11 1.00 0.014 1.00 1.02
ILE97 H 1.00 0.005 1.00 -423300.00
GLU98 H 0.98 0.083 0.02 0.00

Detailed Probabilities of ILE(97)-HG13:

Overall probability: 0.987
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 0.99 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG21 1.00
I97HD11 1.00
I97H 1.00
I97HG13 1.00
E98H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.005 1.00 0.43
ILE97 HB 1.00 0.031 0.90 0.00
ILE97 HG12 1.00 0.005 1.00 2.57
ILE97 HG13 1.00 0.005 1.00 5.21
ILE97 HG21 1.00 0.014 1.00 1.46
ILE97 HD11 1.00 0.007 1.00 1.67
ILE97 H 1.00 0.017 1.00 -738227.00
GLU98 H 0.95 0.005 1.00 -307212.00

Detailed Probabilities of ILE(97)-HG21:

Overall probability: 0.933
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 0.91 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG22 1.00
I97HD11 0.99
I97H 1.00
E98H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 1.00 0.009 1.00 0.98
ILE97 HB 1.00 0.036 0.40 0.00
ILE97 HG12 1.00 0.005 1.00 0.72
ILE97 HG13 1.00 0.024 1.00 0.91
ILE97 HG21 1.00 0.002 1.00 25.54
ILE97 HD11 0.99 0.003 1.00 1.58
ILE97 H 1.00 0.006 1.00 -336861.00
GLU98 H 0.98 0.005 1.00 -231628.00
GLU98 HA 0.67 0.003 1.00 0.18

Detailed Probabilities of ILE(97)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I97HA 0.97
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 0.99
I97HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE97 HA 0.97 0.005 1.00 0.57
ILE97 HB 1.00 0.007 1.00 0.41
ILE97 HG12 1.00 0.006 1.00 1.03
ILE97 HG13 1.00 0.007 1.00 0.89
ILE97 HG21 0.99 0.007 1.00 1.84
ILE97 HD11 1.00 0.005 1.00 49.53
ILE97 H 0.94 0.005 1.00 -262683.00

Detailed Probabilities of ILE(97)-H:

Overall probability: 0.975
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS96 0.95 1.00
ILE97 1.00 1.00
GLU98 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K96H 1.00
K96HG2 0.97
K96HG3 0.96
K96HA 1.00
K96HB2 1.00
K96HB3 1.00
I97HA 1.00
I97HB 1.00
I97HG12 1.00
I97HG13 1.00
I97HG21 1.00
I97H 1.00
E98H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS96 HA 1.00 0.029 1.00 1.30
LYS96 HB2 1.00 0.024 1.00 2.95
LYS96 HB3 1.00 0.024 1.00 2.95
LYS96 HG2 0.97 0.022 1.00 0.45
LYS96 HG3 0.96 0.029 1.00 0.50
LYS96 H 1.00 0.034 0.60 0.00
LYS96 HD2 0.54 0.022 1.00 0.52
LYS96 HD3 0.55 0.022 1.00 0.52
ILE97 HA 1.00 0.001 1.00 0.46
ILE97 HB 1.00 0.000 1.00 0.59
ILE97 HG12 1.00 0.001 1.00 0.46
ILE97 HG13 1.00 0.001 1.00 0.44
ILE97 HG21 1.00 0.002 1.00 0.41
ILE97 H 1.00 0.005 1.00 -12164598.00
ILE97 HD11 0.94 0.003 1.00 0.39
GLU98 H 1.00 0.003 1.00 -669036.00