ARECA's report on LYS40

Residue probability: 0.674
Residue probability confidence: 0.945

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.577 176.660 3.133 0.000 0.000
CA 59.590 57.014 3.028 0.692 1.000
CB 32.400 32.981 3.186 0.336 1.000
CG 24.982 24.941 1.956 0.727 0.917
CD 29.333 29.020 2.193 0.800 0.900
CE 41.780 41.893 1.492 0.839 0.889
N 119.271 120.954 4.210 0.796 1.000
NZ NA -- -- 0.000 0.000
HA 4.022 4.262 0.489 0.636 1.000
HB2 1.990 1.774 0.365 0.112 1.000
HB3 1.945 1.742 0.385 0.833 1.000
HG2 1.379 1.358 0.344 0.818 0.917
HG3 1.620 1.343 0.357 0.473 0.917
HD2 1.681 1.614 0.957 0.667 0.900
HD3 1.680 1.595 0.387 0.667 0.900
HE2 2.968 2.907 0.230 0.764 0.889
HE3 2.966 2.901 0.241 0.789 0.889
H 7.779 8.185 0.605 0.828 1.000
HZ NA -- -- 0.000 0.000

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Detailed Probabilities of LYS(40)-CA:

Overall probability: 0.692
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS39 0.67 1.00
LYS40 0.75 1.00
GLU41 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K39HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 0.98
K40HD3 0.98
K40H 1.00
K40HA 1.00
E41HA 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS39 HA 1.00 0.201 0.00 0.00
LYS39 HB2 0.64 0.007 1.00 3.48
LYS39 HB3 0.82 0.007 1.00 3.48
LYS40 HA 1.00 0.020 1.00 41.95
LYS40 HB2 1.00 0.049 0.00 0.00
LYS40 HB3 1.00 0.004 1.00 3.48
LYS40 HG2 1.00 0.025 1.00 1.34
LYS40 HG3 1.00 0.081 0.00 0.00
LYS40 HD2 0.98 0.020 1.00 1.39
LYS40 HD3 0.98 0.021 1.00 1.39
LYS40 H 1.00 0.014 1.00 1.15
GLU41 HA 1.00 0.221 0.00 0.00
GLU41 H 1.00 0.015 1.00 0.28

Detailed Probabilities of LYS(40)-CB:

Overall probability: 0.336
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.37 1.00
GLU41 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
K40HB2 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 0.99
K40HE3 0.99
K40H 1.00
K40HB3 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.201 0.00 0.00
LYS40 HB2 1.00 0.199 0.00 0.00
LYS40 HB3 1.00 0.244 0.00 0.00
LYS40 HG2 1.00 0.204 0.00 0.00
LYS40 HG3 1.00 0.037 0.30 0.00
LYS40 HD2 1.00 0.002 1.00 5.56
LYS40 HD3 1.00 0.003 1.00 5.56
LYS40 HE2 0.99 0.039 0.10 0.00
LYS40 HE3 0.99 0.037 0.30 0.00
LYS40 H 1.00 0.028 1.00 2.95
GLU41 H 1.00 0.184 0.00 0.00

Detailed Probabilities of LYS(40)-CG:

Overall probability: 0.727
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.70 0.91
GLU41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 1.00
K40HE3 1.00
K40H 1.00
K40HZ2 1.00
K40HG3 1.00
E41H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.007 1.00 0.66
LYS40 HB2 1.00 0.146 0.00 0.00
LYS40 HB3 1.00 0.027 1.00 2.64
LYS40 HG2 1.00 0.009 1.00 7.08
LYS40 HG3 1.00 0.005 1.00 25.64
LYS40 HD2 1.00 0.056 0.00 0.00
LYS40 HD3 1.00 0.055 0.00 0.00
LYS40 HE2 1.00 0.003 1.00 0.89
LYS40 HE3 1.00 0.005 1.00 0.89
LYS40 H 1.00 0.008 1.00 0.56
GLU41 H 0.97 0.014 1.00 0.07

Detailed Probabilities of LYS(40)-CD:

Overall probability: 0.800
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.80 0.90

Expected NOESY Contacts
Proton Expected probability
K40HA 0.98
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HE2 1.00
K40HE3 1.00
K40HZ2 1.00
K40HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 0.98 0.026 1.00 1.33
LYS40 HB2 1.00 0.058 0.00 0.00
LYS40 HB3 1.00 0.013 1.00 5.45
LYS40 HG2 1.00 0.024 1.00 6.19
LYS40 HG3 1.00 0.217 0.00 0.00
LYS40 HD2 1.00 0.003 1.00 244.35
LYS40 HD3 1.00 0.004 1.00 244.35
LYS40 HE2 1.00 0.014 1.00 6.07
LYS40 HE3 1.00 0.016 1.00 6.07
LYS40 H 0.87 0.030 1.00 0.00

Detailed Probabilities of LYS(40)-CE:

Overall probability: 0.839
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.84 0.89

Expected NOESY Contacts
Proton Expected probability
K40HB2 0.98
K40HB3 0.99
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE3 1.00
K40HZ2 1.00
K40HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HB2 0.98 0.060 0.02 0.00
LYS40 HB3 0.99 0.015 1.00 1.41
LYS40 HG2 1.00 0.020 1.00 2.36
LYS40 HG3 1.00 0.033 0.70 0.00
LYS40 HD2 1.00 0.015 1.00 15.02
LYS40 HD3 1.00 0.016 1.00 15.02
LYS40 HE2 1.00 0.019 1.00 641.65
LYS40 HE3 1.00 0.021 1.00 641.65

Detailed Probabilities of LYS(40)-N:

Overall probability: 0.796
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS39 0.66 1.00
LYS40 0.83 1.00
GLU41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K39HB2 1.00
K39HG3 0.96
K39HB3 1.00
K39HA 1.00
K39HG2 0.97
K39H 1.00
K40HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40H 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS39 HA 1.00 0.021 1.00 -359301.00
LYS39 HB2 1.00 0.039 0.10 0.00
LYS39 HB3 1.00 0.025 1.00 -3345797.00
LYS39 HG2 0.97 0.024 1.00 -519075.00
LYS39 HG3 0.96 0.062 0.04 0.00
LYS39 H 1.00 0.032 0.80 0.00
LYS40 HA 1.00 0.050 0.00 0.00
LYS40 HB2 1.00 0.017 1.00 -3345797.00
LYS40 HB3 1.00 0.028 1.00 -3345797.00
LYS40 HG2 1.00 0.016 1.00 -397162.00
LYS40 HG3 1.00 0.016 1.00 -959776.00
LYS40 H 1.00 0.018 1.00 -17394328.00
GLU41 H 1.00 0.007 1.00 -980247.00
GLU41 HA 0.87 0.012 1.00 -98765.00
GLU41 HB2 0.66 0.023 1.00 -3345797.00

Detailed Probabilities of LYS(40)-HA:

Overall probability: 0.636
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS39 0.00 1.00
LYS40 0.63 1.00
GLU41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K39HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 0.98
K40HD3 0.98
K40H 1.00
K40HA 1.00
E41HA 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS39 HA 1.00 0.089 0.00 0.00
LYS40 HA 1.00 0.020 1.00 41.95
LYS40 HB2 1.00 0.418 0.00 0.00
LYS40 HB3 1.00 0.201 0.00 0.00
LYS40 HG2 1.00 0.015 1.00 0.96
LYS40 HG3 1.00 0.007 1.00 0.66
LYS40 HD2 0.98 0.026 1.00 1.33
LYS40 HD3 0.98 0.026 1.00 1.33
LYS40 H 1.00 0.050 0.00 0.00
GLU41 HA 1.00 0.016 1.00 0.10
GLU41 H 1.00 0.010 1.00 -287422.00

Detailed Probabilities of LYS(40)-HB2:

Overall probability: 0.112
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.10 1.00
GLU41 0.20 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 0.98
K40HE3 0.99
K40H 1.00
K40HB2 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.049 0.00 0.00
LYS40 HB2 1.00 0.986 0.00 0.00
LYS40 HB3 1.00 0.199 0.00 0.00
LYS40 HG2 1.00 0.052 0.00 0.00
LYS40 HG3 1.00 0.146 0.00 0.00
LYS40 HD2 1.00 0.058 0.00 0.00
LYS40 HD3 1.00 0.058 0.00 0.00
LYS40 HE2 0.98 0.060 0.02 0.00
LYS40 HE3 0.99 0.060 0.01 0.00
LYS40 H 1.00 0.017 1.00 -3345797.00
GLU41 H 1.00 0.038 0.20 0.00

Detailed Probabilities of LYS(40)-HB3:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.80 1.00
GLU41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
K40HB2 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 0.99
K40HE3 0.99
K40H 1.00
K40HB3 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.004 1.00 3.48
LYS40 HB2 1.00 0.941 0.00 0.00
LYS40 HB3 1.00 0.244 0.00 0.00
LYS40 HG2 1.00 0.007 1.00 2.40
LYS40 HG3 1.00 0.027 1.00 2.64
LYS40 HD2 1.00 0.013 1.00 5.45
LYS40 HD3 1.00 0.013 1.00 5.45
LYS40 HE2 0.99 0.015 1.00 1.41
LYS40 HE3 0.99 0.015 1.00 1.41
LYS40 H 1.00 0.028 1.00 -3345797.00
GLU41 H 1.00 0.007 1.00 -1920456.00
GLU41 HA 0.80 0.026 1.00 2.01

Detailed Probabilities of LYS(40)-HG2:

Overall probability: 0.818
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.80 0.91
GLU41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 1.00
K40HE3 1.00
K40H 1.00
K40HZ2 1.00
K40HG2 1.00
E41H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.025 1.00 1.34
LYS40 HB2 1.00 0.375 0.00 0.00
LYS40 HB3 1.00 0.204 0.00 0.00
LYS40 HG2 1.00 0.005 1.00 36.93
LYS40 HG3 1.00 0.009 1.00 7.08
LYS40 HD2 1.00 0.024 1.00 6.19
LYS40 HD3 1.00 0.024 1.00 6.19
LYS40 HE2 1.00 0.020 1.00 2.36
LYS40 HE3 1.00 0.020 1.00 2.36
LYS40 H 1.00 0.016 1.00 -397162.00
GLU41 H 0.98 0.024 1.00 -132344.00

Detailed Probabilities of LYS(40)-HG3:

Overall probability: 0.473
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.47 0.91
GLU41 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K40HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 1.00
K40HE3 1.00
K40H 1.00
K40HZ2 1.00
K40HG3 1.00
E41H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 1.00 0.081 0.00 0.00
LYS40 HB2 1.00 0.616 0.00 0.00
LYS40 HB3 1.00 0.037 0.30 0.00
LYS40 HG2 1.00 0.015 1.00 9.44
LYS40 HG3 1.00 0.005 1.00 25.64
LYS40 HD2 1.00 0.217 0.00 0.00
LYS40 HD3 1.00 0.217 0.00 0.00
LYS40 HE2 1.00 0.033 0.70 0.00
LYS40 HE3 1.00 0.033 0.70 0.00
LYS40 H 1.00 0.016 1.00 -959776.00
GLU41 H 0.97 0.035 0.50 0.00

Detailed Probabilities of LYS(40)-HD2:

Overall probability: 0.667
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.67 0.90

Expected NOESY Contacts
Proton Expected probability
K40HA 0.98
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40HD3 1.00
K40HE2 1.00
K40HE3 1.00
K40HZ2 1.00
K40HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 0.98 0.020 1.00 1.39
LYS40 HB2 1.00 0.677 0.00 0.00
LYS40 HB3 1.00 0.002 1.00 5.56
LYS40 HG2 1.00 0.046 0.00 0.00
LYS40 HG3 1.00 0.056 0.00 0.00
LYS40 HD2 1.00 0.003 1.00 244.35
LYS40 HD3 1.00 0.003 1.00 244.35
LYS40 HE2 1.00 0.015 1.00 15.02
LYS40 HE3 1.00 0.015 1.00 15.02

Detailed Probabilities of LYS(40)-HD3:

Overall probability: 0.667
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.67 0.90

Expected NOESY Contacts
Proton Expected probability
K40HA 0.98
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HE2 1.00
K40HE3 1.00
K40HZ2 1.00
K40HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HA 0.98 0.021 1.00 1.39
LYS40 HB2 1.00 0.676 0.00 0.00
LYS40 HB3 1.00 0.003 1.00 5.56
LYS40 HG2 1.00 0.045 0.00 0.00
LYS40 HG3 1.00 0.055 0.00 0.00
LYS40 HD2 1.00 0.004 1.00 244.35
LYS40 HD3 1.00 0.004 1.00 244.35
LYS40 HE2 1.00 0.016 1.00 15.02
LYS40 HE3 1.00 0.016 1.00 15.02

Detailed Probabilities of LYS(40)-HE2:

Overall probability: 0.764
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.76 0.89

Expected NOESY Contacts
Proton Expected probability
K40HB2 0.98
K40HB3 0.99
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE3 1.00
K40HZ2 1.00
K40HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HB2 0.98 0.636 0.02 0.00
LYS40 HB3 0.99 0.039 0.10 0.00
LYS40 HG2 1.00 0.006 1.00 1.13
LYS40 HG3 1.00 0.003 1.00 0.89
LYS40 HD2 1.00 0.014 1.00 6.07
LYS40 HD3 1.00 0.014 1.00 6.07
LYS40 HE2 1.00 0.019 1.00 641.65
LYS40 HE3 1.00 0.019 1.00 641.65

Detailed Probabilities of LYS(40)-HE3:

Overall probability: 0.789
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS40 0.79 0.89

Expected NOESY Contacts
Proton Expected probability
K40HB2 0.99
K40HB3 0.99
K40HG2 1.00
K40HG3 1.00
K40HD2 1.00
K40HD3 1.00
K40HE2 1.00
K40HZ2 1.00
K40HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS40 HB2 0.99 0.638 0.01 0.00
LYS40 HB3 0.99 0.037 0.30 0.00
LYS40 HG2 1.00 0.008 1.00 1.13
LYS40 HG3 1.00 0.005 1.00 0.89
LYS40 HD2 1.00 0.016 1.00 6.07
LYS40 HD3 1.00 0.016 1.00 6.07
LYS40 HE2 1.00 0.021 1.00 641.65
LYS40 HE3 1.00 0.021 1.00 641.65

Detailed Probabilities of LYS(40)-H:

Overall probability: 0.828
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS39 0.66 1.00
LYS40 1.00 1.00
GLU41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K39HB2 1.00
K39HG3 0.96
K39HB3 1.00
K39HA 1.00
K39HG2 0.97
K39H 1.00
K40HA 1.00
K40HB2 1.00
K40HB3 1.00
K40HG2 1.00
K40HG3 1.00
K40H 1.00
E41H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS39 HA 1.00 0.038 0.20 0.00
LYS39 HB2 1.00 0.028 1.00 2.95
LYS39 HB3 1.00 0.028 1.00 2.95
LYS39 HG2 0.97 0.030 1.00 0.00
LYS39 HG3 0.96 0.047 0.04 0.00
LYS39 H 1.00 0.047 0.00 0.00
LYS39 HD2 0.56 0.030 1.00 0.00
LYS39 HD3 0.59 0.030 1.00 0.00
LYS40 HA 1.00 0.014 1.00 1.15
LYS40 HB2 1.00 0.028 1.00 2.95
LYS40 HB3 1.00 0.028 1.00 2.95
LYS40 HG2 1.00 0.013 1.00 0.36
LYS40 HG3 1.00 0.008 1.00 0.56
LYS40 H 1.00 0.018 1.00 -17394328.00
GLU41 H 1.00 0.007 1.00 -1015424.00
GLU41 HB2 0.66 0.002 1.00 0.06