ARECA's report on LYS94

Residue probability: 0.699
Residue probability confidence: 0.941

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.600 176.660 3.133 0.000 0.000
CA 60.076 57.014 3.028 0.773 1.000
CB 32.465 32.981 3.186 0.800 1.000
CG 24.715 24.941 1.956 0.778 0.900
CD 30.102 29.020 2.193 0.180 0.889
CE 41.780 41.893 1.492 0.763 0.875
N 118.941 120.954 4.210 0.900 1.000
NZ NA -- -- 0.000 0.000
HA 3.617 4.262 0.489 0.835 1.000
HB2 2.070 1.774 0.365 0.740 1.000
HB3 1.735 1.742 0.385 0.381 1.000
HG2 1.369 1.358 0.344 0.610 0.909
HG3 1.321 1.343 0.357 0.667 0.900
HD 1.537 1.614 0.957 0.667 0.889
HE2 3.019 2.907 0.230 0.738 0.875
HE3 2.917 2.901 0.241 0.659 0.875
H 8.606 8.185 0.605 1.000 1.000
HZ NA -- -- 0.000 0.000

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Detailed Probabilities of LYS(94)-CA:

Overall probability: 0.773
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.50 1.00
LYS94 0.93 1.00
ARG95 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94HD2 0.98
K94H 1.00
K94HA 1.00
R95HA 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.392 0.00 0.00
PHE93 HB3 0.86 0.014 1.00 0.06
LYS94 HA 1.00 0.005 1.00 5.04
LYS94 HB2 1.00 0.004 1.00 0.47
LYS94 HB3 1.00 0.008 1.00 0.67
LYS94 HG2 1.00 0.035 0.50 0.00
LYS94 HG3 1.00 0.013 1.00 0.59
LYS94 HD2 0.98 0.012 1.00 0.17
LYS94 H 1.00 0.001 1.00 0.51
ARG95 HA 1.00 0.202 0.00 0.00
ARG95 H 1.00 0.009 1.00 0.17

Detailed Probabilities of LYS(94)-CB:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.78 1.00
ARG95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K94HA 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94HD2 1.00
K94HE2 0.98
K94HE3 0.99
K94H 1.00
K94HB2 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 1.00 0.005 1.00 0.25
LYS94 HB2 1.00 0.333 0.00 0.00
LYS94 HB3 1.00 0.002 1.00 1.40
LYS94 HG2 1.00 0.018 1.00 0.39
LYS94 HG3 1.00 0.030 1.00 0.00
LYS94 HD2 1.00 0.186 0.00 0.00
LYS94 HE2 0.98 0.008 1.00 0.09
LYS94 HE3 0.99 0.010 1.00 0.07
LYS94 H 1.00 0.000 1.00 0.39
ARG95 H 1.00 0.007 1.00 0.26

Detailed Probabilities of LYS(94)-CG:

Overall probability: 0.778
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.78 0.90

Expected NOESY Contacts
Proton Expected probability
K94HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HD2 1.00
K94HE2 1.00
K94HE3 1.00
K94H 1.00
K94HZ2 1.00
K94HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 1.00 0.005 1.00 0.25
LYS94 HB2 1.00 0.007 1.00 0.44
LYS94 HB3 1.00 0.124 0.00 0.00
LYS94 HG2 1.00 0.187 0.00 0.00
LYS94 HG3 1.00 0.019 1.00 15.45
LYS94 HD2 1.00 0.021 1.00 5.34
LYS94 HE2 1.00 0.023 1.00 0.12
LYS94 HE3 1.00 0.003 1.00 0.63
LYS94 H 1.00 0.004 1.00 0.17

Detailed Probabilities of LYS(94)-CD:

Overall probability: 0.180
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.18 0.89

Expected NOESY Contacts
Proton Expected probability
K94HA 0.98
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94HD3 1.00
K94HE2 1.00
K94HE3 1.00
K94HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 0.98 0.380 0.02 0.00
LYS94 HB2 1.00 0.122 0.00 0.00
LYS94 HB3 1.00 0.213 0.00 0.00
LYS94 HG2 1.00 0.046 0.00 0.00
LYS94 HG3 1.00 0.094 0.00 0.00
LYS94 HD2 1.00 0.122 0.00 0.00
LYS94 HE2 1.00 0.136 0.00 0.00
LYS94 HE3 1.00 0.034 0.60 0.00
LYS94 H 0.87 0.003 1.00 0.11

Detailed Probabilities of LYS(94)-CE:

Overall probability: 0.763
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.76 0.88

Expected NOESY Contacts
Proton Expected probability
K94HB2 0.98
K94HB3 0.99
K94HG2 1.00
K94HG3 1.00
K94HD2 1.00
K94HE3 1.00
K94HZ2 1.00
K94HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HB2 0.98 0.005 1.00 0.54
LYS94 HB3 0.99 0.039 0.10 0.00
LYS94 HG2 1.00 0.006 1.00 0.43
LYS94 HG3 1.00 0.144 0.00 0.00
LYS94 HD2 1.00 0.030 1.00 0.00
LYS94 HE2 1.00 0.011 1.00 227.40
LYS94 HE3 1.00 0.004 1.00 5.24
LYS94 HA 0.77 0.015 1.00 0.11

Detailed Probabilities of LYS(94)-N:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 1.00 1.00
LYS94 0.94 1.00
ARG95 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
F93HB2 1.00
F93HB3 1.00
F93HA 1.00
F93H 1.00
K94HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94H 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.002 1.00 -220806.00
PHE93 HB2 1.00 0.005 1.00 -361012.00
PHE93 HB3 1.00 0.003 1.00 -549294.00
PHE93 H 1.00 0.013 1.00 -936204.00
PHE93 HD1 0.78 0.003 1.00 -179600.00
PHE93 HD2 0.64 0.003 1.00 -179600.00
LYS94 HA 1.00 0.003 1.00 -725648.00
LYS94 HB2 1.00 0.005 1.00 -1060425.00
LYS94 HB3 1.00 0.001 1.00 -1023298.00
LYS94 HG2 1.00 0.034 0.60 0.00
LYS94 HG3 1.00 0.014 1.00 -317997.00
LYS94 H 1.00 0.001 1.00 -6519571.00
LYS94 HD2 0.88 0.016 1.00 -166156.00
ARG95 H 1.00 0.043 0.00 0.00

Detailed Probabilities of LYS(94)-HA:

Overall probability: 0.835
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.00 1.00
LYS94 0.89 1.00
ARG95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94HD2 0.98
K94H 1.00
K94HA 1.00
R95HA 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.189 0.00 0.00
LYS94 HA 1.00 0.005 1.00 5.04
LYS94 HB2 1.00 0.005 1.00 0.25
LYS94 HB3 1.00 0.007 1.00 0.33
LYS94 HG2 1.00 0.005 1.00 0.25
LYS94 HG3 1.00 0.005 1.00 0.25
LYS94 HD2 0.98 0.380 0.02 0.00
LYS94 H 1.00 0.003 1.00 -725648.00
LYS94 HE2 0.77 0.015 1.00 0.11
LYS94 HE3 0.76 0.014 1.00 0.06
ARG95 HA 1.00 0.003 1.00 0.05
ARG95 H 1.00 0.007 1.00 -299660.00

Detailed Probabilities of LYS(94)-HB2:

Overall probability: 0.740
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.71 1.00
ARG95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K94HA 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94HD2 1.00
K94HE2 0.98
K94HE3 0.99
K94H 1.00
K94HB2 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 1.00 0.004 1.00 0.47
LYS94 HB2 1.00 0.333 0.00 0.00
LYS94 HB3 1.00 0.005 1.00 1.19
LYS94 HG2 1.00 0.007 1.00 0.44
LYS94 HG3 1.00 0.007 1.00 0.44
LYS94 HD2 1.00 0.122 0.00 0.00
LYS94 HE2 0.98 0.005 1.00 0.54
LYS94 HE3 0.99 0.036 0.40 0.00
LYS94 H 1.00 0.005 1.00 -1060425.00
ARG95 H 1.00 0.004 1.00 -667336.00

Detailed Probabilities of LYS(94)-HB3:

Overall probability: 0.381
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.42 1.00
ARG95 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K94HA 1.00
K94HB2 1.00
K94HG2 1.00
K94HG3 1.00
K94HD2 1.00
K94HE2 0.99
K94HE3 0.99
K94H 1.00
K94HB3 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 1.00 0.008 1.00 0.67
LYS94 HB2 1.00 0.002 1.00 1.40
LYS94 HB3 1.00 0.033 0.70 0.00
LYS94 HG2 1.00 0.100 0.00 0.00
LYS94 HG3 1.00 0.124 0.00 0.00
LYS94 HD2 1.00 0.213 0.00 0.00
LYS94 HE2 0.99 0.039 0.10 0.00
LYS94 HE3 0.99 0.071 0.01 0.00
LYS94 H 1.00 0.001 1.00 -1023298.00
ARG95 H 1.00 0.046 0.00 0.00

Detailed Probabilities of LYS(94)-HG2:

Overall probability: 0.610
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.57 0.90
ARG95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K94HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG3 1.00
K94HD2 1.00
K94HE2 1.00
K94HE3 1.00
K94H 1.00
K94HZ2 1.00
K94HG2 1.00
R95H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 1.00 0.035 0.50 0.00
LYS94 HB2 1.00 0.018 1.00 0.39
LYS94 HB3 1.00 0.025 1.00 0.46
LYS94 HG2 1.00 0.015 1.00 36.93
LYS94 HG3 1.00 0.187 0.00 0.00
LYS94 HD2 1.00 0.046 0.00 0.00
LYS94 HE2 1.00 0.006 1.00 0.43
LYS94 HE3 1.00 0.042 0.00 0.00
LYS94 H 1.00 0.034 0.60 0.00
ARG95 H 0.96 0.028 1.00 -177293.00

Detailed Probabilities of LYS(94)-HG3:

Overall probability: 0.667
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.67 0.90

Expected NOESY Contacts
Proton Expected probability
K94HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HD2 1.00
K94HE2 1.00
K94HE3 1.00
K94H 1.00
K94HZ2 1.00
K94HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 1.00 0.013 1.00 0.59
LYS94 HB2 1.00 0.030 1.00 0.00
LYS94 HB3 1.00 0.023 1.00 0.46
LYS94 HG2 1.00 0.063 0.00 0.00
LYS94 HG3 1.00 0.019 1.00 15.45
LYS94 HD2 1.00 0.094 0.00 0.00
LYS94 HE2 1.00 0.144 0.00 0.00
LYS94 HE3 1.00 0.012 1.00 0.77
LYS94 H 1.00 0.014 1.00 -317997.00

Detailed Probabilities of LYS(94)-HD2:

Overall probability: 0.667
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.67 0.89

Expected NOESY Contacts
Proton Expected probability
K94HA 0.98
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94HD3 1.00
K94HE2 1.00
K94HE3 1.00
K94HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HA 0.98 0.012 1.00 0.17
LYS94 HB2 1.00 0.186 0.00 0.00
LYS94 HB3 1.00 0.070 0.00 0.00
LYS94 HG2 1.00 0.005 1.00 4.89
LYS94 HG3 1.00 0.021 1.00 5.34
LYS94 HD2 1.00 0.122 0.00 0.00
LYS94 HE2 1.00 0.030 1.00 0.00
LYS94 HE3 1.00 0.023 1.00 1.96
LYS94 H 0.87 0.016 1.00 -166156.00

Detailed Probabilities of LYS(94)-HE2:

Overall probability: 0.738
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.74 0.88

Expected NOESY Contacts
Proton Expected probability
K94HB2 0.98
K94HB3 0.99
K94HG2 1.00
K94HG3 1.00
K94HD2 1.00
K94HE3 1.00
K94HZ2 1.00
K94HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HB2 0.98 0.008 1.00 0.09
LYS94 HB3 0.99 0.004 1.00 0.12
LYS94 HG2 1.00 0.045 0.00 0.00
LYS94 HG3 1.00 0.023 1.00 0.12
LYS94 HD2 1.00 0.136 0.00 0.00
LYS94 HE2 1.00 0.011 1.00 227.40
LYS94 HE3 1.00 0.023 1.00 5.55
LYS94 HA 0.77 0.031 0.90 0.00

Detailed Probabilities of LYS(94)-HE3:

Overall probability: 0.659
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS94 0.66 0.88

Expected NOESY Contacts
Proton Expected probability
K94HB2 0.99
K94HB3 0.99
K94HG2 1.00
K94HG3 1.00
K94HD2 1.00
K94HE2 1.00
K94HZ2 1.00
K94HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS94 HB2 0.99 0.010 1.00 0.07
LYS94 HB3 0.99 0.106 0.01 0.00
LYS94 HG2 1.00 0.049 0.00 0.00
LYS94 HG3 1.00 0.003 1.00 0.63
LYS94 HD2 1.00 0.034 0.60 0.00
LYS94 HE2 1.00 0.004 1.00 5.24
LYS94 HE3 1.00 0.000 1.00 220.78

Detailed Probabilities of LYS(94)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 1.00 1.00
LYS94 1.00 1.00
ARG95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F93HB2 1.00
F93HB3 1.00
F93HA 1.00
F93H 1.00
K94HA 1.00
K94HB2 1.00
K94HB3 1.00
K94HG2 1.00
K94HG3 1.00
K94H 1.00
R95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.017 1.00 0.12
PHE93 HB2 1.00 0.000 1.00 0.23
PHE93 HB3 1.00 0.001 1.00 0.26
PHE93 H 1.00 0.001 1.00 -894047.00
LYS94 HA 1.00 0.001 1.00 0.51
LYS94 HB2 1.00 0.000 1.00 0.39
LYS94 HB3 1.00 0.001 1.00 0.57
LYS94 HG2 1.00 0.004 1.00 0.17
LYS94 HG3 1.00 0.004 1.00 0.17
LYS94 H 1.00 0.001 1.00 -6519571.00
LYS94 HD2 0.88 0.003 1.00 0.11
ARG95 H 1.00 0.001 1.00 -650545.00
ARG95 HB2 0.59 0.012 1.00 0.08