ARECA's report on LYS44

Residue probability: 0.845
Residue probability confidence: 0.942

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.601 176.660 3.133 0.000 0.000
CA 59.500 57.014 3.028 0.687 1.000
CB 32.070 32.981 3.186 0.950 1.000
CG 24.910 24.941 1.956 0.989 0.900
CD 29.133 29.020 2.193 0.813 0.889
CE 41.780 41.893 1.492 0.825 0.875
N 118.269 120.954 4.210 0.837 1.000
NZ NA -- -- 0.000 0.000
HA 4.061 4.262 0.489 0.933 1.000
HB2 1.911 1.774 0.365 1.000 1.000
HB3 1.906 1.742 0.385 1.000 1.000
HG2 1.582 1.358 0.344 0.633 0.909
HG3 1.438 1.343 0.357 0.767 0.900
HD2 1.700 1.614 0.957 0.822 0.889
HD3 1.702 1.595 0.387 0.800 0.889
HE 2.930 2.907 0.230 1.000 0.875
H 7.445 8.185 0.605 0.621 1.000
HZ NA -- -- 0.000 0.000

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Detailed Probabilities of LYS(44)-CA:

Overall probability: 0.687
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS43 0.75 1.00
LYS44 0.81 1.00
LEU45 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K43HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD2 0.98
K44HD3 0.98
K44H 1.00
K44HA 1.00
L45HA 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS43 HA 1.00 0.046 0.00 0.00
LYS43 HB2 0.64 0.005 1.00 3.96
LYS43 HB3 0.82 0.011 1.00 3.96
LYS43 H 0.88 0.014 1.00 0.89
LYS44 HA 1.00 0.019 1.00 41.95
LYS44 HB2 1.00 0.001 1.00 3.96
LYS44 HB3 1.00 0.006 1.00 3.96
LYS44 HG2 1.00 0.037 0.30 0.00
LYS44 HG3 1.00 0.001 1.00 1.07
LYS44 HD2 0.98 0.014 1.00 1.91
LYS44 HD3 0.98 0.016 1.00 1.91
LYS44 H 1.00 0.040 0.00 0.00
LYS44 HE2 0.77 0.007 1.00 0.40
LEU45 HA 1.00 0.106 0.00 0.00
LEU45 H 1.00 0.069 0.00 0.00

Detailed Probabilities of LYS(44)-CB:

Overall probability: 0.950
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.94 1.00
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD2 1.00
K44HD3 1.00
K44HE2 0.98
K44H 1.00
K44HB2 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.024 1.00 4.53
LYS44 HB2 1.00 0.007 1.00 53.87
LYS44 HB3 1.00 0.002 1.00 53.87
LYS44 HG2 1.00 0.001 1.00 3.20
LYS44 HG3 1.00 0.035 0.50 0.00
LYS44 HD2 1.00 0.017 1.00 5.56
LYS44 HD3 1.00 0.019 1.00 5.56
LYS44 HE2 0.98 0.001 1.00 0.70
LYS44 H 1.00 0.028 1.00 1.72
LEU45 H 1.00 0.001 1.00 0.64

Detailed Probabilities of LYS(44)-CG:

Overall probability: 0.989
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.99 0.90

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HD2 1.00
K44HD3 1.00
K44HE2 1.00
K44H 1.00
K44HZ2 1.00
K44HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.027 1.00 0.93
LYS44 HB2 1.00 0.019 1.00 2.94
LYS44 HB3 1.00 0.014 1.00 2.94
LYS44 HG2 1.00 0.010 1.00 8.71
LYS44 HG3 1.00 0.031 0.90 0.00
LYS44 HD2 1.00 0.013 1.00 6.92
LYS44 HD3 1.00 0.015 1.00 6.92
LYS44 HE2 1.00 0.030 1.00 0.86
LYS44 H 1.00 0.010 1.00 0.23

Detailed Probabilities of LYS(44)-CD:

Overall probability: 0.813
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.81 0.89

Expected NOESY Contacts
Proton Expected probability
K44HA 0.98
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD3 1.00
K44HE2 1.00
K44HZ2 1.00
K44HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 0.98 0.013 1.00 1.33
LYS44 HB2 1.00 0.021 1.00 5.45
LYS44 HB3 1.00 0.026 1.00 5.45
LYS44 HG2 1.00 0.085 0.00 0.00
LYS44 HG3 1.00 0.035 0.50 0.00
LYS44 HD2 1.00 0.016 1.00 244.35
LYS44 HD3 1.00 0.018 1.00 244.35
LYS44 HE2 1.00 0.017 1.00 4.26

Detailed Probabilities of LYS(44)-CE:

Overall probability: 0.825
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.82 0.88

Expected NOESY Contacts
Proton Expected probability
K44HB2 0.98
K44HB3 0.99
K44HG2 1.00
K44HG3 1.00
K44HD2 1.00
K44HD3 1.00
K44HE3 1.00
K44HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HB2 0.99 0.004 1.00 1.28
LYS44 HB3 0.99 0.009 1.00 1.28
LYS44 HG2 1.00 0.022 1.00 1.96
LYS44 HG3 1.00 0.027 1.00 1.85
LYS44 HD2 1.00 0.036 0.40 0.00
LYS44 HD3 1.00 0.038 0.20 0.00
LYS44 HE2 1.00 0.013 1.00 220.78
LYS44 HA 0.76 0.004 1.00 0.98

Detailed Probabilities of LYS(44)-N:

Overall probability: 0.837
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS43 0.63 1.00
LYS44 1.00 1.00
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K43HB2 1.00
K43HG3 0.96
K43HB3 1.00
K43HA 1.00
K43HG2 0.97
K43H 1.00
K44HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44H 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS43 HA 1.00 0.028 1.00 -1290945.00
LYS43 HB2 1.00 0.001 1.00 -2953164.00
LYS43 HB3 1.00 0.007 1.00 -2953164.00
LYS43 HG2 0.97 0.073 0.03 0.00
LYS43 HG3 0.96 0.067 0.04 0.00
LYS43 H 1.00 0.049 0.00 0.00
LYS43 HD2 0.56 0.011 1.00 -421987.00
LYS43 HD3 0.59 0.006 1.00 -421987.00
LYS44 HA 1.00 0.001 1.00 -1290945.00
LYS44 HB2 1.00 0.003 1.00 -2953164.00
LYS44 HB3 1.00 0.002 1.00 -2953164.00
LYS44 HG2 1.00 0.004 1.00 -855885.00
LYS44 HG3 1.00 0.001 1.00 -383812.00
LYS44 H 1.00 0.005 1.00 -10036825.00
LYS44 HD2 0.88 0.011 1.00 -421987.00
LYS44 HD3 0.87 0.013 1.00 -421987.00
LEU45 H 1.00 0.003 1.00 -961380.00
LEU45 HB2 0.61 0.004 1.00 -2953164.00

Detailed Probabilities of LYS(44)-HA:

Overall probability: 0.933
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS43 1.00 1.00
LYS44 1.00 1.00
LEU45 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
K43HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD2 0.98
K44HD3 0.98
K44H 1.00
K44HA 1.00
L45HA 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS43 HA 1.00 0.019 1.00 41.95
LYS43 HB2 0.64 0.024 1.00 4.53
LYS43 HB3 0.82 0.024 1.00 4.53
LYS43 H 0.88 0.025 1.00 -1013474.00
LYS44 HA 1.00 0.019 1.00 41.95
LYS44 HB2 1.00 0.024 1.00 4.53
LYS44 HB3 1.00 0.024 1.00 4.53
LYS44 HG2 1.00 0.024 1.00 0.75
LYS44 HG3 1.00 0.027 1.00 0.93
LYS44 HD2 0.98 0.013 1.00 1.33
LYS44 HD3 0.98 0.013 1.00 1.33
LYS44 H 1.00 0.001 1.00 -1290945.00
LYS44 HE2 0.77 0.004 1.00 0.98
LEU45 HA 1.00 0.122 0.00 0.00
LEU45 H 1.00 0.003 1.00 -320505.00

Detailed Probabilities of LYS(44)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 1.00 1.00
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD2 1.00
K44HD3 1.00
K44HE2 0.98
K44H 1.00
K44HB2 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.001 1.00 3.96
LYS44 HB2 1.00 0.007 1.00 53.87
LYS44 HB3 1.00 0.007 1.00 53.87
LYS44 HG2 1.00 0.007 1.00 2.64
LYS44 HG3 1.00 0.019 1.00 2.94
LYS44 HD2 1.00 0.021 1.00 5.45
LYS44 HD3 1.00 0.021 1.00 5.45
LYS44 HE2 0.98 0.004 1.00 1.28
LYS44 H 1.00 0.003 1.00 -2953164.00
LEU45 H 1.00 0.010 1.00 -2947979.00
LEU45 HA 0.66 0.010 1.00 1.28

Detailed Probabilities of LYS(44)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 1.00 1.00
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
K44HB2 1.00
K44HG2 1.00
K44HG3 1.00
K44HD2 1.00
K44HD3 1.00
K44HE2 0.99
K44H 1.00
K44HB3 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.006 1.00 3.96
LYS44 HB2 1.00 0.002 1.00 53.87
LYS44 HB3 1.00 0.002 1.00 53.87
LYS44 HG2 1.00 0.012 1.00 2.64
LYS44 HG3 1.00 0.014 1.00 2.94
LYS44 HD2 1.00 0.026 1.00 5.45
LYS44 HD3 1.00 0.026 1.00 5.45
LYS44 HE2 0.99 0.009 1.00 1.28
LYS44 H 1.00 0.002 1.00 -2953164.00
LEU45 H 1.00 0.005 1.00 -2947979.00
LEU45 HA 0.85 0.005 1.00 1.28

Detailed Probabilities of LYS(44)-HG2:

Overall probability: 0.633
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.70 0.90
LEU45 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG3 1.00
K44HD2 1.00
K44HD3 1.00
K44HE2 1.00
K44H 1.00
K44HZ2 1.00
K44HG2 1.00
L45H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.037 0.30 0.00
LYS44 HB2 1.00 0.001 1.00 3.20
LYS44 HB3 1.00 0.001 1.00 3.20
LYS44 HG2 1.00 0.018 1.00 27.11
LYS44 HG3 1.00 0.010 1.00 8.71
LYS44 HD2 1.00 0.085 0.00 0.00
LYS44 HD3 1.00 0.085 0.00 0.00
LYS44 HE2 1.00 0.022 1.00 1.96
LYS44 H 1.00 0.004 1.00 -855885.00
LEU45 H 0.97 0.083 0.03 0.00

Detailed Probabilities of LYS(44)-HG3:

Overall probability: 0.767
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.77 0.90

Expected NOESY Contacts
Proton Expected probability
K44HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HD2 1.00
K44HD3 1.00
K44HE2 1.00
K44H 1.00
K44HZ2 1.00
K44HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 1.00 0.001 1.00 1.07
LYS44 HB2 1.00 0.035 0.50 0.00
LYS44 HB3 1.00 0.035 0.50 0.00
LYS44 HG2 1.00 0.021 1.00 7.46
LYS44 HG3 1.00 0.031 0.90 0.00
LYS44 HD2 1.00 0.035 0.50 0.00
LYS44 HD3 1.00 0.035 0.50 0.00
LYS44 HE2 1.00 0.027 1.00 1.85
LYS44 H 1.00 0.001 1.00 -383812.00

Detailed Probabilities of LYS(44)-HD2:

Overall probability: 0.822
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.82 0.89

Expected NOESY Contacts
Proton Expected probability
K44HA 0.98
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD3 1.00
K44HE2 1.00
K44HZ2 1.00
K44HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 0.98 0.014 1.00 1.91
LYS44 HB2 1.00 0.017 1.00 5.56
LYS44 HB3 1.00 0.017 1.00 5.56
LYS44 HG2 1.00 0.075 0.00 0.00
LYS44 HG3 1.00 0.013 1.00 6.92
LYS44 HD2 1.00 0.016 1.00 244.35
LYS44 HD3 1.00 0.016 1.00 244.35
LYS44 HE2 1.00 0.036 0.40 0.00
LYS44 H 0.88 0.011 1.00 -421987.00

Detailed Probabilities of LYS(44)-HD3:

Overall probability: 0.800
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 0.80 0.89

Expected NOESY Contacts
Proton Expected probability
K44HA 0.98
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44HD2 1.00
K44HE2 1.00
K44HZ2 1.00
K44HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HA 0.98 0.016 1.00 1.91
LYS44 HB2 1.00 0.019 1.00 5.56
LYS44 HB3 1.00 0.019 1.00 5.56
LYS44 HG2 1.00 0.077 0.00 0.00
LYS44 HG3 1.00 0.015 1.00 6.92
LYS44 HD2 1.00 0.018 1.00 244.35
LYS44 HD3 1.00 0.018 1.00 244.35
LYS44 HE2 1.00 0.038 0.20 0.00
LYS44 H 0.87 0.013 1.00 -421987.00

Detailed Probabilities of LYS(44)-HE2:

Overall probability: 1.000
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS44 1.00 0.88

Expected NOESY Contacts
Proton Expected probability
K44HB2 0.98
K44HB3 0.99
K44HG2 1.00
K44HG3 1.00
K44HD2 1.00
K44HD3 1.00
K44HE3 1.00
K44HZ2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS44 HB2 0.99 0.001 1.00 0.70
LYS44 HB3 0.99 0.001 1.00 0.70
LYS44 HG2 1.00 0.003 1.00 1.05
LYS44 HG3 1.00 0.030 1.00 0.86
LYS44 HD2 1.00 0.017 1.00 4.26
LYS44 HD3 1.00 0.017 1.00 4.26
LYS44 HE2 1.00 0.013 1.00 220.78
LYS44 HA 0.76 0.007 1.00 0.40

Detailed Probabilities of LYS(44)-H:

Overall probability: 0.621
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS43 0.35 1.00
LYS44 0.83 1.00
LEU45 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K43HB2 1.00
K43HG3 0.96
K43HB3 1.00
K43HA 1.00
K43HG2 0.97
K43H 1.00
K44HA 1.00
K44HB2 1.00
K44HB3 1.00
K44HG2 1.00
K44HG3 1.00
K44H 1.00
L45H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS43 HA 1.00 0.040 0.00 0.00
LYS43 HB2 1.00 0.028 1.00 1.72
LYS43 HB3 1.00 0.028 1.00 1.72
LYS43 HG2 0.97 0.055 0.03 0.00
LYS43 HG3 0.96 0.049 0.04 0.00
LYS43 H 1.00 0.055 0.00 0.00
LYS44 HA 1.00 0.040 0.00 0.00
LYS44 HB2 1.00 0.028 1.00 1.72
LYS44 HB3 1.00 0.028 1.00 1.72
LYS44 HG2 1.00 0.006 1.00 0.45
LYS44 HG3 1.00 0.010 1.00 0.23
LYS44 H 1.00 0.005 1.00 -10036825.00
LEU45 H 1.00 0.008 1.00 -887386.00