ARECA's report on ILE56

Residue probability: 0.953
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.089 175.926 2.710 0.000 0.000
CA 59.110 61.717 4.152 0.700 1.000
CB 39.823 38.702 3.945 0.875 1.000
CG1 27.650 27.785 2.037 1.000 1.000
CG2 17.086 17.574 1.928 1.000 1.000
CD1 12.573 13.545 3.646 1.000 1.000
N 125.983 121.467 6.098 1.000 1.000
HA 5.057 4.185 1.403 0.933 1.000
HB 1.688 1.776 0.310 1.000 1.000
HG12 1.427 1.271 0.411 0.963 1.000
HG13 0.958 1.186 0.426 1.000 1.000
HG2 0.694 0.762 0.283 1.000 1.000
HD1 0.661 0.668 0.293 1.000 1.000
H 9.182 8.301 0.685 0.916 1.000

[Back]

Detailed Probabilities of ILE(56)-CA:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.00 1.00
ILE56 0.86 1.00
ILE57 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 1.00
I56HD11 0.97
I56H 1.00
I56HA 1.00
I57H 1.00
I57HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.584 0.00 0.00
ILE56 HA 1.00 0.000 1.00 0.43
ILE56 HB 1.00 0.000 1.00 0.01
ILE56 HG12 1.00 0.000 1.00 0.04
ILE56 HG13 1.00 0.000 1.00 0.02
ILE56 HG21 1.00 0.000 1.00 0.15
ILE56 HD11 0.97 0.000 1.00 0.11
ILE56 H 1.00 0.040 0.00 0.00
ILE57 HA 1.00 0.145 0.00 0.00
ILE57 H 1.00 0.000 1.00 0.21
ILE57 HG12 0.51 0.033 0.70 0.00

Detailed Probabilities of ILE(56)-CB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00
ILE57 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 1.00
I56HD11 1.00
I56H 1.00
I56HB 1.00
I57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.01
ILE56 HB 1.00 0.000 1.00 0.39
ILE56 HG12 1.00 0.000 1.00 0.07
ILE56 HG13 1.00 0.000 1.00 0.03
ILE56 HG21 1.00 0.000 1.00 0.33
ILE56 HD11 1.00 0.000 1.00 0.27
ILE56 H 1.00 0.000 1.00 0.06
ILE57 H 1.00 0.402 0.00 0.00

Detailed Probabilities of ILE(56)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00
ILE57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HB 1.00
I56HG13 1.00
I56HG21 1.00
I56HD11 1.00
I56H 1.00
I56HG12 1.00
I57H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.04
ILE56 HB 1.00 0.000 1.00 0.12
ILE56 HG12 1.00 0.000 1.00 1.23
ILE56 HG13 1.00 0.000 1.00 0.32
ILE56 HG21 1.00 0.000 1.00 0.40
ILE56 HD11 1.00 0.000 1.00 0.41
ILE56 H 1.00 0.000 1.00 0.02
ILE57 H 0.98 0.000 1.00 0.01

Detailed Probabilities of ILE(56)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00
ILE57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG22 1.00
I56HD11 0.99
I56H 1.00
I57H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.10
ILE56 HB 1.00 0.000 1.00 0.23
ILE56 HG12 1.00 0.000 1.00 0.13
ILE56 HG13 1.00 0.000 1.00 0.13
ILE56 HG21 1.00 0.000 1.00 7.01
ILE56 HD11 0.99 0.000 1.00 4.57
ILE56 H 1.00 0.000 1.00 0.02
ILE57 H 0.98 0.000 1.00 0.10

Detailed Probabilities of ILE(56)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 0.97
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 0.99
I56HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 0.97 0.000 1.00 0.05
ILE56 HB 1.00 0.000 1.00 0.15
ILE56 HG12 1.00 0.000 1.00 0.25
ILE56 HG13 1.00 0.000 1.00 0.19
ILE56 HG21 0.99 0.000 1.00 2.97
ILE56 HD11 1.00 0.000 1.00 7.38

Detailed Probabilities of ILE(56)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 1.00 1.00
ILE56 1.00 1.00
ILE57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HB2 1.00
L55H 1.00
L55HB3 1.00
L55HA 1.00
L55HG 0.99
I56HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 1.00
I56H 1.00
I57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.000 1.00 -9880.00
LEU55 HB2 1.00 0.000 1.00 -592.00
LEU55 HB3 1.00 0.000 1.00 -734.00
LEU55 HG 0.99 0.000 1.00 -2082.00
LEU55 H 1.00 0.000 1.00 -408.00
LEU55 HD11 0.53 0.000 1.00 -6377.00
LEU55 HD21 0.63 0.000 1.00 -7646.00
ILE56 HA 1.00 0.000 1.00 -1584.00
ILE56 HB 1.00 0.000 1.00 -5212.00
ILE56 HG12 1.00 0.000 1.00 -2797.00
ILE56 HG13 1.00 0.000 1.00 -933.00
ILE56 HG21 1.00 0.000 1.00 -8123.00
ILE56 H 1.00 0.000 1.00 -29220.00
ILE56 HD11 0.94 0.000 1.00 -6377.00
ILE57 H 1.00 0.000 1.00 -626.00
ILE57 HG13 0.54 0.006 1.00 -1092.00

Detailed Probabilities of ILE(56)-HA:

Overall probability: 0.933
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 1.00 1.00
ILE56 1.00 1.00
ILE57 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 1.00
I56HD11 0.97
I56H 1.00
I56HA 1.00
I57H 1.00
I57HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.003 1.00 0.00
LEU55 HB2 0.60 0.025 1.00 0.02
LEU55 HB3 0.92 0.014 1.00 0.02
LEU55 H 0.93 0.003 1.00 -1445.00
ILE56 HA 1.00 0.000 1.00 0.43
ILE56 HB 1.00 0.000 1.00 0.01
ILE56 HG12 1.00 0.000 1.00 0.04
ILE56 HG13 1.00 0.000 1.00 0.04
ILE56 HG21 1.00 0.000 1.00 0.10
ILE56 HD11 0.97 0.000 1.00 0.05
ILE56 H 1.00 0.000 1.00 -1584.00
ILE57 HA 1.00 0.145 0.00 0.00
ILE57 H 1.00 0.000 1.00 -13700.00
ILE57 HB 0.52 0.003 1.00 0.01
ILE57 HG12 0.51 0.000 1.00 0.05

Detailed Probabilities of ILE(56)-HB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00
ILE57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 1.00
I56HD11 1.00
I56H 1.00
I56HB 1.00
I57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.01
ILE56 HB 1.00 0.000 1.00 0.39
ILE56 HG12 1.00 0.000 1.00 0.12
ILE56 HG13 1.00 0.000 1.00 0.09
ILE56 HG21 1.00 0.000 1.00 0.23
ILE56 HD11 1.00 0.000 1.00 0.15
ILE56 H 1.00 0.000 1.00 -5212.00
ILE57 H 1.00 0.000 1.00 -986.00

Detailed Probabilities of ILE(56)-HG12:

Overall probability: 0.963
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00
ILE57 0.70 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HB 1.00
I56HG13 1.00
I56HG21 1.00
I56HD11 1.00
I56H 1.00
I56HG12 1.00
I57H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.04
ILE56 HB 1.00 0.000 1.00 0.07
ILE56 HG12 1.00 0.000 1.00 1.23
ILE56 HG13 1.00 0.000 1.00 0.35
ILE56 HG21 1.00 0.000 1.00 0.13
ILE56 HD11 1.00 0.000 1.00 0.25
ILE56 H 1.00 0.000 1.00 -2797.00
ILE57 H 0.98 0.033 0.70 0.00

Detailed Probabilities of ILE(56)-HG13:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG21 1.00
I56HD11 1.00
I56H 1.00
I56HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.02
ILE56 HB 1.00 0.000 1.00 0.03
ILE56 HG12 1.00 0.000 1.00 0.32
ILE56 HG13 1.00 0.000 1.00 0.58
ILE56 HG21 1.00 0.000 1.00 0.13
ILE56 HD11 1.00 0.000 1.00 0.19
ILE56 H 1.00 0.000 1.00 -933.00

Detailed Probabilities of ILE(56)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00
ILE57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG22 1.00
I56HD11 0.99
I56H 1.00
I57H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 1.00 0.000 1.00 0.15
ILE56 HB 1.00 0.000 1.00 0.33
ILE56 HG12 1.00 0.000 1.00 0.40
ILE56 HG13 1.00 0.000 1.00 0.25
ILE56 HG21 1.00 0.000 1.00 7.01
ILE56 HD11 0.99 0.000 1.00 2.97
ILE56 H 1.00 0.000 1.00 -8123.00
ILE57 H 0.98 0.000 1.00 -11940.00
ILE57 HA 0.65 0.013 1.00 0.09

Detailed Probabilities of ILE(56)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I56HA 0.97
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 0.99
I56HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE56 HA 0.97 0.000 1.00 0.11
ILE56 HB 1.00 0.000 1.00 0.27
ILE56 HG12 1.00 0.000 1.00 0.41
ILE56 HG13 1.00 0.000 1.00 0.30
ILE56 HG21 0.99 0.000 1.00 4.57
ILE56 HD11 1.00 0.000 1.00 7.38
ILE56 H 0.94 0.000 1.00 -6377.00

Detailed Probabilities of ILE(56)-H:

Overall probability: 0.916
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 1.00 1.00
ILE56 0.85 1.00
ILE57 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
L55HB2 1.00
L55H 1.00
L55HB3 1.00
L55HA 1.00
L55HG 0.99
I56HA 1.00
I56HB 1.00
I56HG12 1.00
I56HG13 1.00
I56HG21 1.00
I56H 1.00
I57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.000 1.00 0.16
LEU55 HB2 1.00 0.000 1.00 0.01
LEU55 HB3 1.00 0.000 1.00 0.02
LEU55 HG 0.99 0.005 1.00 0.02
LEU55 H 1.00 0.000 1.00 -1191.00
LEU55 HD11 0.53 0.000 1.00 0.04
LEU55 HD21 0.63 0.000 1.00 0.03
ILE56 HA 1.00 0.040 0.00 0.00
ILE56 HB 1.00 0.000 1.00 0.06
ILE56 HG12 1.00 0.000 1.00 0.02
ILE56 HG13 1.00 0.000 1.00 0.02
ILE56 HG21 1.00 0.000 1.00 0.02
ILE56 H 1.00 0.000 1.00 -29220.00
ILE56 HD11 0.94 0.032 0.94 0.00
ILE57 H 1.00 0.032 0.80 0.00