ARECA's report on LEU114

Residue probability: 0.974
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.431 177.056 1.929 0.000 0.000
CA 57.675 55.735 3.802 0.833 1.000
CB 40.936 42.389 3.750 1.000 1.000
CG 26.770 26.892 3.086 1.000 1.000
CD1 24.730 24.837 3.657 1.000 1.000
CD2 23.240 24.201 3.117 1.000 1.000
N 116.901 121.785 4.943 1.000 1.000
HA 3.713 4.315 0.840 0.833 1.000
HB2 1.735 1.601 0.373 1.000 1.000
HB3 1.397 1.508 0.398 1.000 1.000
HG 1.651 1.510 0.340 1.000 1.000
HD1 0.805 0.739 0.294 1.000 1.000
HD2 0.670 0.727 0.421 1.000 1.000
H 7.743 8.237 0.647 1.000 1.000

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Detailed Probabilities of LEU(114)-CA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA113 0.67 1.00
LEU114 1.00 1.00
LYS115 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
A113HA 1.00
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114HD11 0.99
L114HD21 0.99
L114H 1.00
L114HA 1.00
K115HA 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA113 HA 1.00 0.087 0.00 0.00
ALA113 HB1 0.69 0.013 1.00 0.08
ALA113 H 0.92 0.003 1.00 0.03
LEU114 HA 1.00 0.000 1.00 0.67
LEU114 HB2 1.00 0.000 1.00 0.06
LEU114 HB3 1.00 0.000 1.00 0.08
LEU114 HG 1.00 0.000 1.00 0.05
LEU114 HD11 0.99 0.000 1.00 0.06
LEU114 HD21 0.99 0.000 1.00 0.16
LEU114 H 1.00 0.000 1.00 0.05
LYS115 HA 1.00 0.087 0.00 0.00
LYS115 H 1.00 0.000 1.00 0.01

Detailed Probabilities of LEU(114)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114HB3 1.00
L114HG 1.00
L114HD11 1.00
L114HD21 1.00
L114H 1.00
L114HB2 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.000 1.00 0.09
LEU114 HB2 1.00 0.000 1.00 0.78
LEU114 HB3 1.00 0.000 1.00 0.56
LEU114 HG 1.00 0.000 1.00 0.15
LEU114 HD11 1.00 0.000 1.00 0.14
LEU114 HD21 1.00 0.000 1.00 0.10
LEU114 H 1.00 0.000 1.00 0.12
LYS115 H 1.00 0.000 1.00 0.08
LYS115 HA 0.70 0.006 1.00 0.11

Detailed Probabilities of LEU(114)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114HB2 1.00
L114HB3 1.00
L114HD11 1.00
L114HD21 1.00
L114H 1.00
L114HG 1.00
K115H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.000 1.00 0.06
LEU114 HB2 1.00 0.000 1.00 0.27
LEU114 HB3 1.00 0.000 1.00 0.15
LEU114 HG 1.00 0.000 1.00 2.74
LEU114 HD11 1.00 0.000 1.00 0.43
LEU114 HD21 1.00 0.000 1.00 0.19
LEU114 H 1.00 0.000 1.00 0.10
LYS115 H 0.98 0.000 1.00 0.06

Detailed Probabilities of LEU(114)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 0.99
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114HD12 1.00
L114HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 0.99 0.000 1.00 0.14
LEU114 HB2 1.00 0.000 1.00 0.38
LEU114 HB3 1.00 0.000 1.00 0.40
LEU114 HG 1.00 0.000 1.00 0.73
LEU114 HD11 1.00 0.000 1.00 30.09
LEU114 HD21 1.00 0.000 1.00 0.90
LEU114 H 0.86 0.000 1.00 0.01

Detailed Probabilities of LEU(114)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 0.99
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114HD11 1.00
L114HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 0.99 0.000 1.00 0.30
LEU114 HB2 1.00 0.000 1.00 0.22
LEU114 HB3 1.00 0.000 1.00 0.24
LEU114 HG 1.00 0.000 1.00 0.35
LEU114 HD11 1.00 0.000 1.00 0.78
LEU114 HD21 1.00 0.000 1.00 14.32
LEU114 H 0.85 0.000 1.00 0.06

Detailed Probabilities of LEU(114)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA113 1.00 1.00
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A113HB1 1.00
A113HA 1.00
A113H 1.00
L114HA 1.00
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114H 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA113 HA 1.00 0.000 1.00 -1442.00
ALA113 HB1 1.00 0.000 1.00 -14360.00
ALA113 H 1.00 0.000 1.00 -6273.00
LEU114 HA 1.00 0.000 1.00 -4786.00
LEU114 HB2 1.00 0.000 1.00 -7941.00
LEU114 HB3 1.00 0.000 1.00 -14360.00
LEU114 HG 1.00 0.000 1.00 -8294.00
LEU114 H 1.00 0.000 1.00 -56670.00
LEU114 HD11 0.88 0.000 1.00 -3084.00
LEU114 HD21 0.87 0.000 1.00 -3505.00
LYS115 H 1.00 0.000 1.00 -5734.00
LYS115 HA 0.89 0.000 1.00 -1442.00
LYS115 HB2 0.58 0.008 1.00 -506.00

Detailed Probabilities of LEU(114)-HA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA113 0.67 1.00
LEU114 1.00 1.00
LYS115 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
A113HA 1.00
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114HD11 0.99
L114HD21 0.99
L114H 1.00
L114HA 1.00
K115HA 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA113 HA 1.00 0.087 0.00 0.00
ALA113 HB1 0.69 0.002 1.00 0.02
ALA113 H 0.92 0.000 1.00 -2954.00
LEU114 HA 1.00 0.000 1.00 0.67
LEU114 HB2 1.00 0.000 1.00 0.09
LEU114 HB3 1.00 0.000 1.00 0.11
LEU114 HG 1.00 0.000 1.00 0.06
LEU114 HD11 0.99 0.000 1.00 0.14
LEU114 HD21 0.99 0.000 1.00 0.30
LEU114 H 1.00 0.000 1.00 -4786.00
LYS115 HA 1.00 0.081 0.00 0.00
LYS115 H 1.00 0.000 1.00 -1797.00

Detailed Probabilities of LEU(114)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114HB3 1.00
L114HG 1.00
L114HD11 1.00
L114HD21 1.00
L114H 1.00
L114HB2 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.000 1.00 0.06
LEU114 HB2 1.00 0.000 1.00 0.78
LEU114 HB3 1.00 0.000 1.00 0.69
LEU114 HG 1.00 0.000 1.00 0.27
LEU114 HD11 1.00 0.000 1.00 0.38
LEU114 HD21 1.00 0.000 1.00 0.22
LEU114 H 1.00 0.000 1.00 -7941.00
LYS115 H 1.00 0.000 1.00 -3743.00
LYS115 HA 0.70 0.012 1.00 0.11

Detailed Probabilities of LEU(114)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114HB2 1.00
L114HG 1.00
L114HD11 1.00
L114HD21 1.00
L114H 1.00
L114HB3 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.000 1.00 0.08
LEU114 HB2 1.00 0.000 1.00 0.56
LEU114 HB3 1.00 0.000 1.00 0.91
LEU114 HG 1.00 0.000 1.00 0.15
LEU114 HD11 1.00 0.000 1.00 0.40
LEU114 HD21 1.00 0.000 1.00 0.24
LEU114 H 1.00 0.000 1.00 -14360.00
LYS115 H 1.00 0.000 1.00 -3743.00
LYS115 HA 0.90 0.016 1.00 0.09

Detailed Probabilities of LEU(114)-HG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114HB2 1.00
L114HB3 1.00
L114HD11 1.00
L114HD21 1.00
L114H 1.00
L114HG 1.00
K115H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.000 1.00 0.05
LEU114 HB2 1.00 0.000 1.00 0.15
LEU114 HB3 1.00 0.000 1.00 0.14
LEU114 HG 1.00 0.000 1.00 2.74
LEU114 HD11 1.00 0.000 1.00 0.73
LEU114 HD21 1.00 0.000 1.00 0.35
LEU114 H 1.00 0.000 1.00 -8294.00
LYS115 H 0.98 0.000 1.00 -4044.00

Detailed Probabilities of LEU(114)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 0.99
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114HD12 1.00
L114HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 0.99 0.000 1.00 0.06
LEU114 HB2 1.00 0.000 1.00 0.14
LEU114 HB3 1.00 0.000 1.00 0.15
LEU114 HG 1.00 0.000 1.00 0.43
LEU114 HD11 1.00 0.000 1.00 30.09
LEU114 HD21 1.00 0.000 1.00 0.78
LEU114 H 0.86 0.000 1.00 -3084.00

Detailed Probabilities of LEU(114)-HD21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 0.99
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114HD11 1.00
L114HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 0.99 0.000 1.00 0.16
LEU114 HB2 1.00 0.000 1.00 0.10
LEU114 HB3 1.00 0.000 1.00 0.15
LEU114 HG 1.00 0.000 1.00 0.19
LEU114 HD11 1.00 0.000 1.00 0.90
LEU114 HD21 1.00 0.000 1.00 14.32
LEU114 H 0.85 0.000 1.00 -3505.00

Detailed Probabilities of LEU(114)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA113 1.00 1.00
LEU114 1.00 1.00
LYS115 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A113HB1 1.00
A113HA 1.00
A113H 1.00
L114HA 1.00
L114HB2 1.00
L114HB3 1.00
L114HG 1.00
L114H 1.00
K115H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA113 HA 1.00 0.000 1.00 0.01
ALA113 HB1 1.00 0.000 1.00 0.16
ALA113 H 1.00 0.000 1.00 -5855.00
LEU114 HA 1.00 0.000 1.00 0.05
LEU114 HB2 1.00 0.000 1.00 0.12
LEU114 HB3 1.00 0.000 1.00 0.09
LEU114 HG 1.00 0.000 1.00 0.10
LEU114 H 1.00 0.000 1.00 -56670.00
LEU114 HD11 0.88 0.000 1.00 0.01
LEU114 HD21 0.87 0.000 1.00 0.06
LYS115 H 1.00 0.000 1.00 -7135.00
LYS115 HB2 0.58 0.020 1.00 0.12