ARECA's report on LYS115

Residue probability: 0.820
Residue probability confidence: 0.943

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.404 176.660 3.133 0.000 0.000
CA 59.883 57.014 3.028 0.420 1.000
CB 32.178 32.981 3.186 0.900 1.000
CG 24.910 24.941 1.956 0.904 0.909
CD 29.549 29.020 2.193 0.778 0.889
CE 41.780 41.893 1.492 1.000 0.875
N 119.066 120.954 4.210 0.916 1.000
NZ NA -- -- 0.000 0.000
HA 3.800 4.262 0.489 0.929 1.000
HB2 1.928 1.774 0.365 0.909 1.000
HB3 1.934 1.742 0.385 0.891 1.000
HG2 1.561 1.358 0.344 0.703 0.909
HG3 1.300 1.343 0.357 0.500 0.909
HD2 1.656 1.614 0.957 0.752 0.889
HD3 1.659 1.595 0.387 0.753 0.889
HE 2.909 2.907 0.230 1.000 0.875
H 7.617 8.185 0.605 0.939 1.000
HZ NA -- -- 0.000 0.000

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Detailed Probabilities of LYS(115)-CA:

Overall probability: 0.420
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 0.50 1.00
LYS115 0.38 1.00
ILE116 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115HD2 0.98
K115HD3 0.98
K115H 1.00
K115HA 1.00
I116HA 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.087 0.00 0.00
LEU114 H 0.89 0.004 1.00 0.10
LYS115 HA 1.00 0.000 1.00 13.14
LYS115 HB2 1.00 0.370 0.00 0.00
LYS115 HB3 1.00 0.376 0.00 0.00
LYS115 HG2 1.00 0.003 1.00 0.96
LYS115 HG3 1.00 0.222 0.00 0.00
LYS115 HD2 0.98 0.098 0.02 0.00
LYS115 HD3 0.98 0.101 0.02 0.00
LYS115 H 1.00 0.009 1.00 0.97
ILE116 HA 1.00 0.304 0.00 0.00
ILE116 H 1.00 0.027 1.00 0.77

Detailed Probabilities of LYS(115)-CB:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.89 1.00
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
K115HB2 1.00
K115HG2 1.00
K115HG3 1.00
K115HD2 1.00
K115HD3 1.00
K115HE2 0.99
K115H 1.00
K115HB3 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.021 1.00 2.44
LYS115 HB2 1.00 0.024 1.00 53.87
LYS115 HB3 1.00 0.030 1.00 0.00
LYS115 HG2 1.00 0.022 1.00 3.20
LYS115 HG3 1.00 0.283 0.00 0.00
LYS115 HD2 1.00 0.027 1.00 5.56
LYS115 HD3 1.00 0.024 1.00 5.56
LYS115 HE2 0.99 0.020 1.00 0.70
LYS115 H 1.00 0.002 1.00 2.14
ILE116 H 1.00 0.027 1.00 1.13

Detailed Probabilities of LYS(115)-CG:

Overall probability: 0.904
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 1.00 0.90
ILE116 0.04 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HD2 1.00
K115HD3 1.00
K115HE2 1.00
K115H 1.00
K115HZ2 1.00
K115HG3 1.00
I116H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.004 1.00 0.46
LYS115 HB2 1.00 0.013 1.00 1.00
LYS115 HB3 1.00 0.007 1.00 1.00
LYS115 HG2 1.00 0.003 1.00 5.34
LYS115 HG3 1.00 0.002 1.00 15.45
LYS115 HD2 1.00 0.002 1.00 2.37
LYS115 HD3 1.00 0.005 1.00 2.37
LYS115 HE2 1.00 0.005 1.00 0.63
LYS115 H 1.00 0.004 1.00 0.28
ILE116 H 0.96 0.173 0.04 0.00

Detailed Probabilities of LYS(115)-CD:

Overall probability: 0.778
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.78 0.89

Expected NOESY Contacts
Proton Expected probability
K115HA 0.98
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115HD3 1.00
K115HE2 1.00
K115HZ2 1.00
K115HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 0.98 0.009 1.00 0.59
LYS115 HB2 1.00 0.004 1.00 5.45
LYS115 HB3 1.00 0.002 1.00 5.45
LYS115 HG2 1.00 0.158 0.00 0.00
LYS115 HG3 1.00 0.103 0.00 0.00
LYS115 HD2 1.00 0.028 1.00 244.35
LYS115 HD3 1.00 0.025 1.00 244.35
LYS115 HE2 1.00 0.004 1.00 4.26
LYS115 H 0.88 0.002 1.00 0.43

Detailed Probabilities of LYS(115)-CE:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 1.00 0.88

Expected NOESY Contacts
Proton Expected probability
K115HB2 0.98
K115HB3 0.99
K115HG2 1.00
K115HG3 1.00
K115HD2 1.00
K115HD3 1.00
K115HE3 1.00
K115HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HB2 0.99 0.013 1.00 1.28
LYS115 HB3 0.99 0.019 1.00 1.28
LYS115 HG2 1.00 0.001 1.00 1.96
LYS115 HG3 1.00 0.009 1.00 0.77
LYS115 HD2 1.00 0.008 1.00 7.15
LYS115 HD3 1.00 0.005 1.00 7.15
LYS115 HE2 1.00 0.008 1.00 220.78

Detailed Probabilities of LYS(115)-N:

Overall probability: 0.916
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 0.86 1.00
LYS115 0.97 1.00
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114H 1.00
L114HB3 1.00
L114HB2 1.00
L114HG 0.98
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115H 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.001 1.00 -298211.00
LEU114 HB2 1.00 0.011 1.00 -509652.00
LEU114 HB3 1.00 0.014 1.00 -388179.00
LEU114 HG 0.98 0.095 0.02 0.00
LEU114 H 1.00 0.005 1.00 -990666.00
LEU114 HD11 0.52 0.009 1.00 -202653.00
LEU114 HD21 0.59 0.007 1.00 -232572.00
LYS115 HA 1.00 0.002 1.00 -867318.00
LYS115 HB2 1.00 0.026 1.00 -1317662.00
LYS115 HB3 1.00 0.032 0.80 0.00
LYS115 HG2 1.00 0.013 1.00 -3332692.00
LYS115 HG3 1.00 0.000 1.00 -235878.00
LYS115 H 1.00 0.027 1.00 -19107776.00
ILE116 H 1.00 0.002 1.00 -883825.00

Detailed Probabilities of LYS(115)-HA:

Overall probability: 0.929
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 0.75 1.00
LYS115 1.00 1.00
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115HD2 0.98
K115HD3 0.98
K115H 1.00
K115HA 1.00
I116HA 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.091 0.00 0.00
LEU114 HB2 0.70 0.013 1.00 0.65
LEU114 HB3 0.90 0.016 1.00 0.66
LEU114 H 0.89 0.003 1.00 -251903.00
LYS115 HA 1.00 0.000 1.00 13.14
LYS115 HB2 1.00 0.021 1.00 2.44
LYS115 HB3 1.00 0.021 1.00 2.44
LYS115 HG2 1.00 0.003 1.00 0.84
LYS115 HG3 1.00 0.004 1.00 0.46
LYS115 HD2 0.98 0.009 1.00 0.59
LYS115 HD3 0.98 0.009 1.00 0.59
LYS115 H 1.00 0.002 1.00 -867318.00
ILE116 HA 1.00 0.010 1.00 0.07
ILE116 H 1.00 0.001 1.00 -405817.00

Detailed Probabilities of LYS(115)-HB2:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.89 1.00
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115HD2 1.00
K115HD3 1.00
K115HE2 0.98
K115H 1.00
K115HB2 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.370 0.00 0.00
LYS115 HB2 1.00 0.024 1.00 53.87
LYS115 HB3 1.00 0.024 1.00 53.87
LYS115 HG2 1.00 0.010 1.00 2.64
LYS115 HG3 1.00 0.013 1.00 1.00
LYS115 HD2 1.00 0.004 1.00 5.45
LYS115 HD3 1.00 0.004 1.00 5.45
LYS115 HE2 0.98 0.013 1.00 1.28
LYS115 H 1.00 0.026 1.00 -1317662.00
ILE116 H 1.00 0.008 1.00 -631174.00
ILE116 HA 0.67 0.008 1.00 0.07

Detailed Probabilities of LYS(115)-HB3:

Overall probability: 0.891
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.87 1.00
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
K115HB2 1.00
K115HG2 1.00
K115HG3 1.00
K115HD2 1.00
K115HD3 1.00
K115HE2 0.99
K115H 1.00
K115HB3 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.376 0.00 0.00
LYS115 HB2 1.00 0.030 1.00 0.00
LYS115 HB3 1.00 0.030 1.00 0.00
LYS115 HG2 1.00 0.016 1.00 2.64
LYS115 HG3 1.00 0.007 1.00 1.00
LYS115 HD2 1.00 0.002 1.00 5.45
LYS115 HD3 1.00 0.002 1.00 5.45
LYS115 HE2 0.99 0.019 1.00 1.28
LYS115 H 1.00 0.032 0.80 0.00
ILE116 H 1.00 0.002 1.00 -631174.00
ILE116 HA 0.85 0.014 1.00 0.07

Detailed Probabilities of LYS(115)-HG2:

Overall probability: 0.703
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.78 0.90
ILE116 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG3 1.00
K115HD2 1.00
K115HD3 1.00
K115HE2 1.00
K115H 1.00
K115HZ2 1.00
K115HG2 1.00
I116H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.003 1.00 0.96
LYS115 HB2 1.00 0.022 1.00 3.20
LYS115 HB3 1.00 0.022 1.00 3.20
LYS115 HG2 1.00 0.001 1.00 37.64
LYS115 HG3 1.00 0.003 1.00 5.34
LYS115 HD2 1.00 0.158 0.00 0.00
LYS115 HD3 1.00 0.158 0.00 0.00
LYS115 HE2 1.00 0.001 1.00 1.96
LYS115 H 1.00 0.013 1.00 -3332692.00
ILE116 H 0.97 0.058 0.03 0.00

Detailed Probabilities of LYS(115)-HG3:

Overall probability: 0.500
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.44 0.90
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HD2 1.00
K115HD3 1.00
K115HE2 1.00
K115H 1.00
K115HZ2 1.00
K115HG3 1.00
I116H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 1.00 0.222 0.00 0.00
LYS115 HB2 1.00 0.283 0.00 0.00
LYS115 HB3 1.00 0.283 0.00 0.00
LYS115 HG2 1.00 0.016 1.00 5.85
LYS115 HG3 1.00 0.002 1.00 15.45
LYS115 HD2 1.00 0.103 0.00 0.00
LYS115 HD3 1.00 0.103 0.00 0.00
LYS115 HE2 1.00 0.009 1.00 0.77
LYS115 H 1.00 0.000 1.00 -235878.00
ILE116 H 0.96 0.006 1.00 -127419.00

Detailed Probabilities of LYS(115)-HD2:

Overall probability: 0.752
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.75 0.89

Expected NOESY Contacts
Proton Expected probability
K115HA 0.98
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115HD3 1.00
K115HE2 1.00
K115HZ2 1.00
K115HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 0.98 0.098 0.02 0.00
LYS115 HB2 1.00 0.027 1.00 5.56
LYS115 HB3 1.00 0.027 1.00 5.56
LYS115 HG2 1.00 0.056 0.00 0.00
LYS115 HG3 1.00 0.002 1.00 2.37
LYS115 HD2 1.00 0.028 1.00 244.35
LYS115 HD3 1.00 0.028 1.00 244.35
LYS115 HE2 1.00 0.008 1.00 7.15

Detailed Probabilities of LYS(115)-HD3:

Overall probability: 0.753
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 0.75 0.89

Expected NOESY Contacts
Proton Expected probability
K115HA 0.98
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115HD2 1.00
K115HE2 1.00
K115HZ2 1.00
K115HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HA 0.98 0.101 0.02 0.00
LYS115 HB2 1.00 0.024 1.00 5.56
LYS115 HB3 1.00 0.024 1.00 5.56
LYS115 HG2 1.00 0.059 0.00 0.00
LYS115 HG3 1.00 0.005 1.00 2.37
LYS115 HD2 1.00 0.025 1.00 244.35
LYS115 HD3 1.00 0.025 1.00 244.35
LYS115 HE2 1.00 0.005 1.00 7.15

Detailed Probabilities of LYS(115)-HE2:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS115 1.00 0.88

Expected NOESY Contacts
Proton Expected probability
K115HB2 0.98
K115HB3 0.99
K115HG2 1.00
K115HG3 1.00
K115HD2 1.00
K115HD3 1.00
K115HE3 1.00
K115HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS115 HB2 0.99 0.020 1.00 0.70
LYS115 HB3 0.99 0.020 1.00 0.70
LYS115 HG2 1.00 0.018 1.00 1.05
LYS115 HG3 1.00 0.005 1.00 0.63
LYS115 HD2 1.00 0.004 1.00 4.26
LYS115 HD3 1.00 0.004 1.00 4.26
LYS115 HE2 1.00 0.008 1.00 220.78

Detailed Probabilities of LYS(115)-H:

Overall probability: 0.939
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU114 0.86 1.00
LYS115 1.00 1.00
ILE116 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L114HA 1.00
L114H 1.00
L114HB3 1.00
L114HB2 1.00
L114HG 0.98
K115HA 1.00
K115HB2 1.00
K115HB3 1.00
K115HG2 1.00
K115HG3 1.00
K115H 1.00
I116H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU114 HA 1.00 0.011 1.00 0.18
LEU114 HB2 1.00 0.018 1.00 0.53
LEU114 HB3 1.00 0.025 1.00 0.66
LEU114 HG 0.98 0.135 0.02 0.00
LEU114 H 1.00 0.002 1.00 -808297.00
LEU114 HD11 0.52 0.014 1.00 0.35
LEU114 HD21 0.59 0.004 1.00 0.24
LYS115 HA 1.00 0.009 1.00 0.97
LYS115 HB2 1.00 0.002 1.00 2.14
LYS115 HB3 1.00 0.002 1.00 2.14
LYS115 HG2 1.00 0.003 1.00 0.53
LYS115 HG3 1.00 0.004 1.00 0.28
LYS115 H 1.00 0.027 1.00 -19107776.00
LYS115 HD2 0.88 0.002 1.00 0.43
LYS115 HD3 0.87 0.002 1.00 0.43
ILE116 H 1.00 0.003 1.00 -642492.00