ARECA's report on ILE93

Residue probability: 0.807
Residue probability confidence: 0.987

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.135 175.926 2.710 0.000 0.000
CA 66.413 61.717 4.152 0.752 1.000
CB 37.978 38.702 3.945 0.889 1.000
CG1 29.576 27.785 2.037 0.714 1.000
CG2 17.769 17.574 1.928 0.667 1.000
CD1 14.039 13.545 3.646 1.000 1.000
N 121.493 121.467 6.098 1.000 0.917
HA 3.523 4.185 1.403 0.833 1.000
HB 1.852 1.776 0.310 0.750 1.000
HG12 0.626 1.271 0.411 0.750 1.000
HG13 1.947 1.186 0.426 0.571 1.000
HG2 0.884 0.762 0.283 0.778 1.000
HD1 0.507 0.668 0.293 0.861 1.000
H 8.253 8.301 0.685 0.924 0.917

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Detailed Probabilities of ILE(93)-CA:

Overall probability: 0.752
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR92 1.00 1.00
ILE93 0.72 1.00
MET94 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
T92HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 1.00
I93HD11 0.97
I93H 1.00
I93HA 1.00
M94HA 1.00
M94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR92 HA 1.00 0.007 1.00 0.06
THR92 HB 0.90 0.002 1.00 0.06
THR92 HG21 0.52 0.004 1.00 0.20
ILE93 HA 1.00 0.003 1.00 4.88
ILE93 HB 1.00 0.005 1.00 0.31
ILE93 HG12 1.00 0.071 0.00 0.00
ILE93 HG13 1.00 0.003 1.00 0.46
ILE93 HG21 1.00 0.002 1.00 0.89
ILE93 HD11 0.97 0.048 0.03 0.00
ILE93 H 1.00 0.003 1.00 0.58
MET94 HA 1.00 0.077 0.00 0.00
MET94 H 1.00 0.005 1.00 0.22

Detailed Probabilities of ILE(93)-CB:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.86 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 1.00
I93HD11 1.00
I93H 1.00
I93HB 1.00
M94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.002 1.00 0.19
ILE93 HB 1.00 0.001 1.00 2.02
ILE93 HG12 1.00 0.003 1.00 0.25
ILE93 HG13 1.00 0.094 0.00 0.00
ILE93 HG21 1.00 0.005 1.00 0.81
ILE93 HD11 1.00 0.003 1.00 0.61
ILE93 H 1.00 0.000 1.00 0.54
MET94 H 1.00 0.007 1.00 0.30
MET94 HA 0.89 0.002 1.00 0.05

Detailed Probabilities of ILE(93)-CG1:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG21 1.00
I93HD11 1.00
I93H 1.00
I93HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.001 1.00 0.25
ILE93 HB 1.00 0.049 0.00 0.00
ILE93 HG12 1.00 0.004 1.00 0.86
ILE93 HG13 1.00 0.144 0.00 0.00
ILE93 HG21 1.00 0.007 1.00 0.41
ILE93 HD11 1.00 0.000 1.00 0.80
ILE93 H 1.00 0.005 1.00 0.32

Detailed Probabilities of ILE(93)-CG2:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.57 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG22 1.00
I93HD11 0.99
I93H 1.00
M94H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.003 1.00 0.89
ILE93 HB 1.00 0.015 1.00 1.47
ILE93 HG12 1.00 0.121 0.00 0.00
ILE93 HG13 1.00 0.110 0.00 0.00
ILE93 HG21 1.00 0.137 0.00 0.00
ILE93 HD11 0.99 0.002 1.00 2.76
ILE93 H 1.00 0.000 1.00 0.41
MET94 H 0.99 0.001 1.00 0.38
MET94 HA 0.70 0.001 1.00 0.15

Detailed Probabilities of ILE(93)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 0.97
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 0.99
I93HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 0.97 0.000 1.00 0.36
ILE93 HB 1.00 0.008 1.00 0.98
ILE93 HG12 1.00 0.002 1.00 2.12
ILE93 HG13 1.00 0.000 1.00 1.42
ILE93 HG21 0.99 0.001 1.00 2.45
ILE93 HD11 1.00 0.005 1.00 30.00
ILE93 H 0.94 0.000 1.00 0.44

Detailed Probabilities of ILE(93)-N:

Overall probability: 1.000
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR92 1.00 0.80
ILE93 1.00 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T92H 1.00
T92HB 1.00
T92HG23 0.98
T92HG1 0.97
T92HA 1.00
I93HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 1.00
I93H 1.00
M94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR92 HA 1.00 0.002 1.00 -563391.00
THR92 HB 1.00 0.003 1.00 -836618.00
THR92 HG21 0.98 0.001 1.00 -423365.00
THR92 H 1.00 0.008 1.00 -1005309.00
ILE93 HA 1.00 0.001 1.00 -677107.00
ILE93 HB 1.00 0.000 1.00 -1541024.00
ILE93 HG12 1.00 0.003 1.00 -763307.00
ILE93 HG13 1.00 0.000 1.00 -1230102.00
ILE93 HG21 1.00 0.004 1.00 -609125.00
ILE93 H 1.00 0.000 1.00 -7216570.00
ILE93 HD11 0.94 0.002 1.00 -811379.00
MET94 H 1.00 0.006 1.00 -923181.00
MET94 HB2 0.50 0.008 1.00 -110771.00

Detailed Probabilities of ILE(93)-HA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR92 0.67 1.00
ILE93 1.00 1.00
MET94 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
T92HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 1.00
I93HD11 0.97
I93H 1.00
I93HA 1.00
M94HA 1.00
M94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR92 HA 1.00 0.316 0.00 0.00
THR92 HB 0.90 0.012 1.00 0.07
THR92 HG21 0.52 0.002 1.00 0.12
ILE93 HA 1.00 0.003 1.00 4.88
ILE93 HB 1.00 0.002 1.00 0.19
ILE93 HG12 1.00 0.005 1.00 0.21
ILE93 HG13 1.00 0.001 1.00 0.25
ILE93 HG21 1.00 0.003 1.00 0.89
ILE93 HD11 0.97 0.000 1.00 0.36
ILE93 H 1.00 0.001 1.00 -677107.00
MET94 HA 1.00 0.258 0.00 0.00
MET94 H 1.00 0.006 1.00 -238315.00

Detailed Probabilities of ILE(93)-HB:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.71 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 1.00
I93HD11 1.00
I93H 1.00
I93HB 1.00
M94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.005 1.00 0.31
ILE93 HB 1.00 0.001 1.00 2.02
ILE93 HG12 1.00 0.095 0.00 0.00
ILE93 HG13 1.00 0.049 0.00 0.00
ILE93 HG21 1.00 0.015 1.00 1.47
ILE93 HD11 1.00 0.008 1.00 0.98
ILE93 H 1.00 0.000 1.00 -1541024.00
MET94 H 1.00 0.000 1.00 -1062626.00

Detailed Probabilities of ILE(93)-HG12:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.71 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HB 1.00
I93HG13 1.00
I93HG21 1.00
I93HD11 1.00
I93H 1.00
I93HG12 1.00
M94H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.071 0.00 0.00
ILE93 HB 1.00 0.003 1.00 0.25
ILE93 HG12 1.00 0.010 1.00 0.67
ILE93 HG13 1.00 0.004 1.00 0.86
ILE93 HG21 1.00 0.121 0.00 0.00
ILE93 HD11 1.00 0.002 1.00 2.12
ILE93 H 1.00 0.003 1.00 -763307.00
MET94 H 0.97 0.004 1.00 -120159.00

Detailed Probabilities of ILE(93)-HG13:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG21 1.00
I93HD11 1.00
I93H 1.00
I93HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.003 1.00 0.46
ILE93 HB 1.00 0.094 0.00 0.00
ILE93 HG12 1.00 0.000 1.00 0.69
ILE93 HG13 1.00 0.144 0.00 0.00
ILE93 HG21 1.00 0.110 0.00 0.00
ILE93 HD11 1.00 0.000 1.00 1.42
ILE93 H 1.00 0.000 1.00 -1230102.00

Detailed Probabilities of ILE(93)-HG21:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.71 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG22 1.00
I93HD11 0.99
I93H 1.00
M94H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.002 1.00 0.89
ILE93 HB 1.00 0.005 1.00 0.81
ILE93 HG12 1.00 0.248 0.00 0.00
ILE93 HG13 1.00 0.007 1.00 0.41
ILE93 HG21 1.00 0.137 0.00 0.00
ILE93 HD11 0.99 0.001 1.00 2.45
ILE93 H 1.00 0.004 1.00 -609125.00
MET94 H 0.99 0.008 1.00 -555329.00
MET94 HA 0.70 0.010 1.00 0.25

Detailed Probabilities of ILE(93)-HD11:

Overall probability: 0.861
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 0.97
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 0.99
I93HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 0.97 0.048 0.03 0.00
ILE93 HB 1.00 0.003 1.00 0.61
ILE93 HG12 1.00 0.001 1.00 0.60
ILE93 HG13 1.00 0.000 1.00 0.80
ILE93 HG21 0.99 0.002 1.00 2.76
ILE93 HD11 1.00 0.005 1.00 30.00
ILE93 H 0.94 0.002 1.00 -811379.00

Detailed Probabilities of ILE(93)-H:

Overall probability: 0.924
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR92 0.75 0.80
ILE93 1.00 1.00
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T92H 1.00
T92HB 1.00
T92HG23 0.98
T92HG1 0.97
T92HA 1.00
I93HA 1.00
I93HB 1.00
I93HG12 1.00
I93HG13 1.00
I93HG21 1.00
I93H 1.00
M94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR92 HA 1.00 0.007 1.00 0.26
THR92 HB 1.00 0.000 1.00 0.42
THR92 HG21 0.98 0.161 0.02 0.00
THR92 H 1.00 0.000 1.00 -993148.00
ILE93 HA 1.00 0.003 1.00 0.58
ILE93 HB 1.00 0.000 1.00 0.54
ILE93 HG12 1.00 0.003 1.00 0.17
ILE93 HG13 1.00 0.005 1.00 0.32
ILE93 HG21 1.00 0.000 1.00 0.41
ILE93 H 1.00 0.000 1.00 -7216570.00
ILE93 HD11 0.94 0.000 1.00 0.44
MET94 H 1.00 0.001 1.00 -1297012.00
MET94 HA 0.91 0.009 1.00 0.10