ARECA's report on LYS61

Residue probability: 0.762
Residue probability confidence: 0.945

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.673 176.660 3.133 0.000 0.000
CA 59.632 57.014 3.028 0.775 1.000
CB 31.518 32.981 3.186 0.755 1.000
CG 24.910 24.941 1.956 0.818 0.917
CD 28.780 29.020 2.193 0.778 0.900
CE 41.780 41.893 1.492 0.627 0.889
N 125.818 120.954 4.210 1.000 1.000
NZ NA -- -- 0.000 0.000
HA 3.722 4.262 0.489 0.873 1.000
HB2 1.517 1.774 0.365 0.818 1.000
HB3 1.432 1.742 0.385 0.729 1.000
HG2 1.029 1.358 0.344 0.545 0.917
HG3 1.257 1.343 0.357 0.727 0.917
HD2 1.173 1.614 0.957 0.444 0.900
HD3 1.096 1.595 0.387 0.579 0.900
HE2 2.686 2.907 0.230 0.937 0.889
HE3 2.674 2.901 0.241 0.877 0.889
H 8.904 8.185 0.605 0.917 1.000
HZ NA -- -- 0.000 0.000

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Detailed Probabilities of LYS(61)-CA:

Overall probability: 0.775
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP60 0.00 1.00
LYS61 0.88 1.00
GLN62 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
D60HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD2 0.98
K61HD3 0.98
K61H 1.00
K61HA 1.00
Q62H 1.00
Q62HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP60 HA 1.00 0.793 0.00 0.00
LYS61 HA 1.00 0.000 1.00 3.93
LYS61 HB2 1.00 0.002 1.00 0.49
LYS61 HB3 1.00 0.006 1.00 0.49
LYS61 HG2 1.00 0.001 1.00 0.32
LYS61 HG3 1.00 0.010 1.00 0.28
LYS61 HD2 0.98 0.025 1.00 0.11
LYS61 HD3 0.98 0.052 0.02 0.00
LYS61 H 1.00 0.005 1.00 0.25
GLN62 HA 1.00 0.035 0.50 0.00
GLN62 H 1.00 0.011 1.00 0.15

Detailed Probabilities of LYS(61)-CB:

Overall probability: 0.755
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.83 1.00
GLN62 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K61HA 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 0.98
K61HE3 0.99
K61H 1.00
K61HB2 1.00
Q62H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 1.00 0.005 1.00 0.32
LYS61 HB2 1.00 0.002 1.00 1.35
LYS61 HB3 1.00 0.005 1.00 1.09
LYS61 HG2 1.00 0.010 1.00 0.29
LYS61 HG3 1.00 0.013 1.00 0.34
LYS61 HD2 1.00 0.040 0.00 0.00
LYS61 HD3 1.00 0.037 0.30 0.00
LYS61 HE2 0.98 0.010 1.00 0.06
LYS61 HE3 0.99 0.002 1.00 0.06
LYS61 H 1.00 0.001 1.00 0.17
GLN62 H 1.00 0.471 0.00 0.00

Detailed Probabilities of LYS(61)-CG:

Overall probability: 0.818
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.80 0.91
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K61HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 1.00
K61HE3 1.00
K61H 1.00
K61HZ2 1.00
K61HG2 1.00
Q62H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 1.00 0.003 1.00 0.15
LYS61 HB2 1.00 0.024 1.00 0.41
LYS61 HB3 1.00 0.024 1.00 0.32
LYS61 HG2 1.00 0.128 0.00 0.00
LYS61 HG3 1.00 0.009 1.00 1.12
LYS61 HD2 1.00 0.016 1.00 0.65
LYS61 HD3 1.00 0.061 0.00 0.00
LYS61 HE2 1.00 0.001 1.00 0.16
LYS61 HE3 1.00 0.011 1.00 0.16
LYS61 H 1.00 0.014 1.00 0.14
GLN62 H 0.97 0.006 1.00 0.08

Detailed Probabilities of LYS(61)-CD:

Overall probability: 0.778
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.78 0.90

Expected NOESY Contacts
Proton Expected probability
K61HA 0.98
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD3 1.00
K61HE2 1.00
K61HE3 1.00
K61HZ2 1.00
K61HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 0.98 0.010 1.00 0.14
LYS61 HB2 1.00 0.013 1.00 0.23
LYS61 HB3 1.00 0.007 1.00 0.26
LYS61 HG2 1.00 0.068 0.00 0.00
LYS61 HG3 1.00 0.084 0.00 0.00
LYS61 HD2 1.00 0.000 1.00 3.04
LYS61 HD3 1.00 0.001 1.00 2.37
LYS61 HE2 1.00 0.002 1.00 0.38
LYS61 HE3 1.00 0.010 1.00 0.38

Detailed Probabilities of LYS(61)-CE:

Overall probability: 0.627
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.63 0.89

Expected NOESY Contacts
Proton Expected probability
K61HB2 0.99
K61HB3 0.99
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 1.00
K61HZ2 1.00
K61HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HB2 0.99 0.030 1.00 0.45
LYS61 HB3 0.99 0.163 0.01 0.00
LYS61 HG2 1.00 0.064 0.00 0.00
LYS61 HG3 1.00 0.010 1.00 0.31
LYS61 HD2 1.00 0.073 0.00 0.00
LYS61 HD3 1.00 0.002 1.00 0.59
LYS61 HE2 1.00 0.020 1.00 27.21
LYS61 HE3 1.00 0.025 1.00 25.87

Detailed Probabilities of LYS(61)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP60 1.00 1.00
LYS61 1.00 1.00
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D60HA 1.00
D60H 1.00
D60HB2 1.00
D60HB3 1.00
K61HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61H 1.00
Q62H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP60 HA 1.00 0.013 1.00 -1169051.00
ASP60 HB2 1.00 0.007 1.00 -117207.00
ASP60 HB3 1.00 0.012 1.00 -159358.00
ASP60 H 1.00 0.006 1.00 -86244.00
LYS61 HA 1.00 0.000 1.00 -366524.00
LYS61 HB2 1.00 0.001 1.00 -432079.00
LYS61 HB3 1.00 0.009 1.00 -363092.00
LYS61 HG2 1.00 0.001 1.00 -340699.00
LYS61 HG3 1.00 0.011 1.00 -373648.00
LYS61 H 1.00 0.001 1.00 -2480544.00
GLN62 H 1.00 0.009 1.00 -492626.00

Detailed Probabilities of LYS(61)-HA:

Overall probability: 0.873
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP60 0.00 1.00
LYS61 1.00 1.00
GLN62 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
D60HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD2 0.98
K61HD3 0.98
K61H 1.00
K61HA 1.00
Q62H 1.00
Q62HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP60 HA 1.00 0.234 0.00 0.00
LYS61 HA 1.00 0.000 1.00 3.93
LYS61 HB2 1.00 0.005 1.00 0.32
LYS61 HB3 1.00 0.004 1.00 0.27
LYS61 HG2 1.00 0.003 1.00 0.15
LYS61 HG3 1.00 0.003 1.00 0.15
LYS61 HD2 0.98 0.010 1.00 0.14
LYS61 HD3 0.98 0.010 1.00 0.14
LYS61 H 1.00 0.000 1.00 -366524.00
GLN62 HA 1.00 0.034 0.60 0.00
GLN62 H 1.00 0.002 1.00 -202594.00

Detailed Probabilities of LYS(61)-HB2:

Overall probability: 0.818
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.80 1.00
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K61HA 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 0.98
K61HE3 0.99
K61H 1.00
K61HB2 1.00
Q62H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 1.00 0.002 1.00 0.49
LYS61 HB2 1.00 0.002 1.00 1.35
LYS61 HB3 1.00 0.001 1.00 1.05
LYS61 HG2 1.00 0.024 1.00 0.41
LYS61 HG3 1.00 0.486 0.00 0.00
LYS61 HD2 1.00 0.013 1.00 0.23
LYS61 HD3 1.00 0.067 0.00 0.00
LYS61 HE2 0.98 0.030 1.00 0.45
LYS61 HE3 0.99 0.030 1.00 0.45
LYS61 H 1.00 0.001 1.00 -432079.00
GLN62 H 1.00 0.003 1.00 -227628.00

Detailed Probabilities of LYS(61)-HB3:

Overall probability: 0.729
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.70 1.00
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K61HA 1.00
K61HB2 1.00
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 0.99
K61HE3 0.99
K61H 1.00
K61HB3 1.00
Q62H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 1.00 0.006 1.00 0.49
LYS61 HB2 1.00 0.005 1.00 1.09
LYS61 HB3 1.00 0.006 1.00 1.14
LYS61 HG2 1.00 0.024 1.00 0.32
LYS61 HG3 1.00 0.401 0.00 0.00
LYS61 HD2 1.00 0.007 1.00 0.26
LYS61 HD3 1.00 0.018 1.00 0.29
LYS61 HE2 0.99 0.163 0.01 0.00
LYS61 HE3 0.99 0.163 0.01 0.00
LYS61 H 1.00 0.009 1.00 -363092.00
GLN62 H 1.00 0.004 1.00 -216465.00

Detailed Probabilities of LYS(61)-HG2:

Overall probability: 0.545
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.50 0.91
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K61HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 1.00
K61HE3 1.00
K61H 1.00
K61HZ2 1.00
K61HG2 1.00
Q62H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 1.00 0.001 1.00 0.32
LYS61 HB2 1.00 0.010 1.00 0.29
LYS61 HB3 1.00 0.009 1.00 0.28
LYS61 HG2 1.00 0.128 0.00 0.00
LYS61 HG3 1.00 0.002 1.00 1.06
LYS61 HD2 1.00 0.068 0.00 0.00
LYS61 HD3 1.00 0.066 0.00 0.00
LYS61 HE2 1.00 0.064 0.00 0.00
LYS61 HE3 1.00 0.064 0.00 0.00
LYS61 H 1.00 0.001 1.00 -340699.00
GLN62 H 0.97 0.004 1.00 -160991.00

Detailed Probabilities of LYS(61)-HG3:

Overall probability: 0.727
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.70 0.91
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K61HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 1.00
K61HE3 1.00
K61H 1.00
K61HZ2 1.00
K61HG3 1.00
Q62H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 1.00 0.010 1.00 0.28
LYS61 HB2 1.00 0.013 1.00 0.34
LYS61 HB3 1.00 0.008 1.00 0.31
LYS61 HG2 1.00 0.009 1.00 1.12
LYS61 HG3 1.00 0.226 0.00 0.00
LYS61 HD2 1.00 0.084 0.00 0.00
LYS61 HD3 1.00 0.096 0.00 0.00
LYS61 HE2 1.00 0.010 1.00 0.31
LYS61 HE3 1.00 0.010 1.00 0.31
LYS61 H 1.00 0.011 1.00 -373648.00
GLN62 H 0.96 0.007 1.00 -94767.00

Detailed Probabilities of LYS(61)-HD2:

Overall probability: 0.444
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.44 0.90

Expected NOESY Contacts
Proton Expected probability
K61HA 0.98
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD3 1.00
K61HE2 1.00
K61HE3 1.00
K61HZ2 1.00
K61HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 0.98 0.025 1.00 0.11
LYS61 HB2 1.00 0.040 0.00 0.00
LYS61 HB3 1.00 0.043 0.00 0.00
LYS61 HG2 1.00 0.016 1.00 0.65
LYS61 HG3 1.00 0.142 0.00 0.00
LYS61 HD2 1.00 0.000 1.00 3.04
LYS61 HD3 1.00 0.012 1.00 2.61
LYS61 HE2 1.00 0.073 0.00 0.00
LYS61 HE3 1.00 0.073 0.00 0.00

Detailed Probabilities of LYS(61)-HD3:

Overall probability: 0.579
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.58 0.90

Expected NOESY Contacts
Proton Expected probability
K61HA 0.98
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HE2 1.00
K61HE3 1.00
K61HZ2 1.00
K61HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HA 0.98 0.052 0.02 0.00
LYS61 HB2 1.00 0.037 0.30 0.00
LYS61 HB3 1.00 0.034 0.60 0.00
LYS61 HG2 1.00 0.061 0.00 0.00
LYS61 HG3 1.00 0.065 0.00 0.00
LYS61 HD2 1.00 0.001 1.00 2.37
LYS61 HD3 1.00 0.001 1.00 3.32
LYS61 HE2 1.00 0.002 1.00 0.59
LYS61 HE3 1.00 0.002 1.00 0.59
LYS61 H 0.87 0.034 0.87 0.00

Detailed Probabilities of LYS(61)-HE2:

Overall probability: 0.937
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.94 0.89

Expected NOESY Contacts
Proton Expected probability
K61HB2 0.98
K61HB3 0.99
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE3 1.00
K61HZ2 1.00
K61HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HB2 0.98 0.010 1.00 0.06
LYS61 HB3 0.99 0.035 0.50 0.00
LYS61 HG2 1.00 0.001 1.00 0.16
LYS61 HG3 1.00 0.002 1.00 0.15
LYS61 HD2 1.00 0.002 1.00 0.38
LYS61 HD3 1.00 0.002 1.00 0.37
LYS61 HE2 1.00 0.020 1.00 27.21
LYS61 HE3 1.00 0.020 1.00 27.21

Detailed Probabilities of LYS(61)-HE3:

Overall probability: 0.877
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS61 0.88 0.89

Expected NOESY Contacts
Proton Expected probability
K61HB2 0.99
K61HB3 0.99
K61HG2 1.00
K61HG3 1.00
K61HD2 1.00
K61HD3 1.00
K61HE2 1.00
K61HZ2 1.00
K61HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS61 HB2 0.99 0.002 1.00 0.06
LYS61 HB3 0.99 0.047 0.01 0.00
LYS61 HG2 1.00 0.011 1.00 0.16
LYS61 HG3 1.00 0.014 1.00 0.15
LYS61 HD2 1.00 0.010 1.00 0.38
LYS61 HD3 1.00 0.010 1.00 0.37
LYS61 HE2 1.00 0.025 1.00 25.87
LYS61 HE3 1.00 0.025 1.00 25.87

Detailed Probabilities of LYS(61)-H:

Overall probability: 0.917
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP60 0.75 1.00
LYS61 1.00 1.00
GLN62 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D60HA 1.00
D60H 1.00
D60HB2 1.00
D60HB3 1.00
K61HA 1.00
K61HB2 1.00
K61HB3 1.00
K61HG2 1.00
K61HG3 1.00
K61H 1.00
Q62H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP60 HA 1.00 0.002 1.00 0.77
ASP60 HB2 1.00 1.042 0.00 0.00
ASP60 HB3 1.00 0.002 1.00 0.09
ASP60 H 1.00 0.005 1.00 -78303.00
LYS61 HA 1.00 0.005 1.00 0.25
LYS61 HB2 1.00 0.001 1.00 0.17
LYS61 HB3 1.00 0.003 1.00 0.16
LYS61 HG2 1.00 0.014 1.00 0.14
LYS61 HG3 1.00 0.008 1.00 0.13
LYS61 H 1.00 0.001 1.00 -2480544.00
LYS61 HD3 0.87 0.000 1.00 0.05
GLN62 H 1.00 0.001 1.00 -400602.00