ARECA's report on LYS86

Residue probability: 0.763
Residue probability confidence: 0.943

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 62.647 57.014 3.028 0.690 1.000
CB 30.740 32.981 3.186 0.769 1.000
CG 27.210 24.941 1.956 0.770 0.909
CD 29.454 29.020 2.193 0.889 0.900
CE 41.525 41.893 1.492 0.764 0.889
N 116.742 120.954 4.210 0.863 1.000
NZ NA -- -- 0.000 0.000
HA 3.804 4.262 0.489 0.500 1.000
HB2 1.756 1.774 0.365 0.394 1.000
HB3 1.962 1.742 0.385 0.962 1.000
HG2 1.252 1.358 0.344 0.900 0.909
HG3 1.962 1.343 0.357 0.950 0.909
HD2 1.706 1.614 0.957 0.602 0.900
HD3 1.704 1.595 0.387 0.602 0.900
HE2 2.802 2.907 0.230 0.791 0.889
HE3 2.768 2.901 0.241 0.890 0.889
H 8.659 8.185 0.605 0.867 1.000
HZ NA -- -- 0.000 0.000

[Back]

Detailed Probabilities of LYS(86)-CA:

Overall probability: 0.690
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 1.00 1.00
LYS86 0.70 1.00
PRO87 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 0.98
K86HD3 0.98
K86H 1.00
K86HA 1.00
P87HD3 1.00
P87HA 1.00
P87HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.006 1.00 0.07
LEU85 H 0.89 0.020 1.00 0.10
LYS86 HA 1.00 0.102 0.00 0.00
LYS86 HB2 1.00 0.007 1.00 0.52
LYS86 HB3 1.00 0.001 1.00 0.76
LYS86 HG2 1.00 0.005 1.00 0.46
LYS86 HG3 1.00 0.001 1.00 0.76
LYS86 HD2 0.98 0.043 0.02 0.00
LYS86 HD3 0.98 0.045 0.02 0.00
LYS86 H 1.00 0.005 1.00 0.40
LYS86 HE2 0.77 0.019 1.00 0.05
LYS86 HE3 0.76 0.015 1.00 0.05
PRO87 HA 1.00 0.311 0.00 0.00
PRO87 HD2 1.00 0.045 0.00 0.00
PRO87 HD3 1.00 0.000 1.00 0.05
PRO87 HG2 0.93 0.009 1.00 0.76

Detailed Probabilities of LYS(86)-CB:

Overall probability: 0.769
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.70 1.00
PRO87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
K86HB2 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 0.99
K86HE3 0.99
K86H 1.00
K86HB3 1.00
P87HD2 0.99
P87HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.150 0.00 0.00
LYS86 HB2 1.00 0.006 1.00 1.28
LYS86 HB3 1.00 0.012 1.00 29.96
LYS86 HG2 1.00 0.015 1.00 0.86
LYS86 HG3 1.00 0.012 1.00 29.96
LYS86 HD2 1.00 0.044 0.00 0.00
LYS86 HD3 1.00 0.046 0.00 0.00
LYS86 HE2 0.99 0.022 1.00 0.11
LYS86 HE3 0.99 0.012 1.00 0.11
LYS86 H 1.00 0.007 1.00 0.33
PRO87 HD2 0.99 0.003 1.00 0.35
PRO87 HD3 1.00 0.002 1.00 0.22
PRO87 HG2 0.53 0.020 1.00 29.96

Detailed Probabilities of LYS(86)-CG:

Overall probability: 0.770
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.77 0.91

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 1.00
K86HE3 1.00
K86H 1.00
K86HZ2 1.00
K86HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.010 1.00 0.26
LYS86 HB2 1.00 0.033 0.70 0.00
LYS86 HB3 1.00 0.007 1.00 1.71
LYS86 HG2 1.00 0.018 1.00 10.96
LYS86 HG3 1.00 0.007 1.00 1.71
LYS86 HD2 1.00 0.083 0.00 0.00
LYS86 HD3 1.00 0.085 0.00 0.00
LYS86 HE2 1.00 0.025 1.00 0.15
LYS86 HE3 1.00 0.009 1.00 0.15
LYS86 H 1.00 0.001 1.00 0.14

Detailed Probabilities of LYS(86)-CD:

Overall probability: 0.889
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.89 0.90

Expected NOESY Contacts
Proton Expected probability
K86HA 0.98
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HE2 1.00
K86HE3 1.00
K86HZ2 1.00
K86HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 0.98 0.023 1.00 0.80
LYS86 HB2 1.00 0.049 0.00 0.00
LYS86 HB3 1.00 0.002 1.00 1.24
LYS86 HG2 1.00 0.002 1.00 0.66
LYS86 HG3 1.00 0.002 1.00 1.24
LYS86 HD2 1.00 0.001 1.00 20.46
LYS86 HD3 1.00 0.003 1.00 20.46
LYS86 HE2 1.00 0.023 1.00 0.79
LYS86 HE3 1.00 0.011 1.00 0.79

Detailed Probabilities of LYS(86)-CE:

Overall probability: 0.764
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.76 0.89

Expected NOESY Contacts
Proton Expected probability
K86HB2 0.99
K86HB3 0.99
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 1.00
K86HZ2 1.00
K86HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HB2 0.99 0.053 0.01 0.00
LYS86 HB3 0.99 0.001 1.00 0.45
LYS86 HG2 1.00 0.016 1.00 0.58
LYS86 HG3 1.00 0.001 1.00 0.45
LYS86 HD2 1.00 0.003 1.00 0.87
LYS86 HD3 1.00 0.001 1.00 0.87
LYS86 HE2 1.00 0.039 0.10 0.00
LYS86 HE3 1.00 0.005 1.00 25.44

Detailed Probabilities of LYS(86)-N:

Overall probability: 0.863
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.80 1.00
LYS86 0.88 1.00
PRO87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85H 1.00
L85HB3 1.00
L85HB2 1.00
L85HG 0.98
K86HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86H 1.00
P87HD2 0.99
P87HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.017 1.00 -874399.00
LEU85 HB2 1.00 0.032 0.80 0.00
LEU85 HB3 1.00 0.067 0.00 0.00
LEU85 HG 0.98 0.020 1.00 -988804.00
LEU85 H 1.00 0.001 1.00 -2185830.00
LEU85 HD11 0.52 0.005 1.00 -215311.00
LYS86 HA 1.00 0.000 1.00 -801265.00
LYS86 HB2 1.00 0.058 0.00 0.00
LYS86 HB3 1.00 0.001 1.00 -2185740.00
LYS86 HG2 1.00 0.002 1.00 -370801.00
LYS86 HG3 1.00 0.001 1.00 -2185740.00
LYS86 H 1.00 0.001 1.00 -8587671.00
LYS86 HD2 0.88 0.008 1.00 -988804.00
LYS86 HD3 0.87 0.006 1.00 -988804.00
PRO87 HD2 0.99 0.005 1.00 -717663.00
PRO87 HD3 0.99 0.004 1.00 -587899.00

Detailed Probabilities of LYS(86)-HA:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.67 1.00
LYS86 0.50 1.00
PRO87 0.33 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 0.98
K86HD3 0.98
K86H 1.00
K86HA 1.00
P87HD3 1.00
P87HA 1.00
P87HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.203 0.00 0.00
LEU85 HB3 0.90 0.011 1.00 0.06
LEU85 H 0.89 0.004 1.00 -152125.00
LYS86 HA 1.00 0.102 0.00 0.00
LYS86 HB2 1.00 0.147 0.00 0.00
LYS86 HB3 1.00 0.150 0.00 0.00
LYS86 HG2 1.00 0.010 1.00 0.26
LYS86 HG3 1.00 0.697 0.00 0.00
LYS86 HD2 0.98 0.023 1.00 0.80
LYS86 HD3 0.98 0.023 1.00 0.80
LYS86 H 1.00 0.000 1.00 -801265.00
PRO87 HA 1.00 0.130 0.00 0.00
PRO87 HD2 1.00 0.147 0.00 0.00
PRO87 HD3 1.00 0.026 1.00 0.27

Detailed Probabilities of LYS(86)-HB2:

Overall probability: 0.394
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.27 1.00
PRO87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 0.98
K86HE3 0.99
K86H 1.00
K86HB2 1.00
P87HD2 0.99
P87HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.007 1.00 0.52
LYS86 HB2 1.00 0.209 0.00 0.00
LYS86 HB3 1.00 0.006 1.00 1.28
LYS86 HG2 1.00 0.033 0.70 0.00
LYS86 HG3 1.00 0.399 0.00 0.00
LYS86 HD2 1.00 0.049 0.00 0.00
LYS86 HD3 1.00 0.049 0.00 0.00
LYS86 HE2 0.98 0.053 0.02 0.00
LYS86 HE3 0.99 0.053 0.01 0.00
LYS86 H 1.00 0.058 0.00 0.00
PRO87 HD2 0.99 0.016 1.00 1.06
PRO87 HD3 1.00 0.016 1.00 0.67

Detailed Probabilities of LYS(86)-HB3:

Overall probability: 0.962
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.95 1.00
PRO87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
K86HB2 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 0.99
K86HE3 0.99
K86H 1.00
K86HB3 1.00
P87HD2 0.99
P87HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.001 1.00 0.76
LYS86 HB2 1.00 0.003 1.00 1.38
LYS86 HB3 1.00 0.012 1.00 29.96
LYS86 HG2 1.00 0.007 1.00 1.71
LYS86 HG3 1.00 0.035 0.50 0.00
LYS86 HD2 1.00 0.002 1.00 1.24
LYS86 HD3 1.00 0.002 1.00 1.24
LYS86 HE2 0.99 0.001 1.00 0.45
LYS86 HE3 0.99 0.001 1.00 0.45
LYS86 H 1.00 0.001 1.00 -2185740.00
PRO87 HD2 0.99 0.005 1.00 1.33
PRO87 HD3 1.00 0.002 1.00 1.13
PRO87 HG2 0.53 0.006 1.00 18.77

Detailed Probabilities of LYS(86)-HG2:

Overall probability: 0.900
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.90 0.91

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 1.00
K86HE3 1.00
K86H 1.00
K86HZ2 1.00
K86HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.005 1.00 0.46
LYS86 HB2 1.00 0.005 1.00 0.24
LYS86 HB3 1.00 0.015 1.00 0.86
LYS86 HG2 1.00 0.018 1.00 10.96
LYS86 HG3 1.00 0.002 1.00 1.30
LYS86 HD2 1.00 0.002 1.00 0.66
LYS86 HD3 1.00 0.002 1.00 0.66
LYS86 HE2 1.00 0.451 0.00 0.00
LYS86 HE3 1.00 0.016 1.00 0.58
LYS86 H 1.00 0.002 1.00 -370801.00

Detailed Probabilities of LYS(86)-HG3:

Overall probability: 0.950
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.95 0.91

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 1.00
K86HE3 1.00
K86H 1.00
K86HZ2 1.00
K86HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.001 1.00 0.76
LYS86 HB2 1.00 0.003 1.00 1.38
LYS86 HB3 1.00 0.012 1.00 29.96
LYS86 HG2 1.00 0.007 1.00 1.71
LYS86 HG3 1.00 0.035 0.50 0.00
LYS86 HD2 1.00 0.002 1.00 1.24
LYS86 HD3 1.00 0.002 1.00 1.24
LYS86 HE2 1.00 0.001 1.00 0.45
LYS86 HE3 1.00 0.001 1.00 0.45
LYS86 H 1.00 0.001 1.00 -2185740.00

Detailed Probabilities of LYS(86)-HD2:

Overall probability: 0.602
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.60 0.90

Expected NOESY Contacts
Proton Expected probability
K86HA 0.98
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86HD3 1.00
K86HE2 1.00
K86HE3 1.00
K86HZ2 1.00
K86HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 0.98 0.043 0.02 0.00
LYS86 HB2 1.00 0.259 0.00 0.00
LYS86 HB3 1.00 0.044 0.00 0.00
LYS86 HG2 1.00 0.083 0.00 0.00
LYS86 HG3 1.00 0.020 1.00 3.12
LYS86 HD2 1.00 0.001 1.00 20.46
LYS86 HD3 1.00 0.001 1.00 20.46
LYS86 HE2 1.00 0.003 1.00 0.87
LYS86 HE3 1.00 0.003 1.00 0.87
LYS86 H 0.88 0.008 1.00 -988804.00

Detailed Probabilities of LYS(86)-HD3:

Overall probability: 0.602
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.60 0.90

Expected NOESY Contacts
Proton Expected probability
K86HA 0.98
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HE2 1.00
K86HE3 1.00
K86HZ2 1.00
K86HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 0.98 0.045 0.02 0.00
LYS86 HB2 1.00 0.261 0.00 0.00
LYS86 HB3 1.00 0.046 0.00 0.00
LYS86 HG2 1.00 0.085 0.00 0.00
LYS86 HG3 1.00 0.018 1.00 3.12
LYS86 HD2 1.00 0.003 1.00 20.46
LYS86 HD3 1.00 0.003 1.00 20.46
LYS86 HE2 1.00 0.001 1.00 0.87
LYS86 HE3 1.00 0.001 1.00 0.87
LYS86 H 0.87 0.006 1.00 -988804.00

Detailed Probabilities of LYS(86)-HE2:

Overall probability: 0.791
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.79 0.89

Expected NOESY Contacts
Proton Expected probability
K86HB2 0.98
K86HB3 0.99
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE3 1.00
K86HZ2 1.00
K86HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HB2 0.98 0.642 0.02 0.00
LYS86 HB3 0.99 0.022 1.00 0.11
LYS86 HG2 1.00 0.025 1.00 0.15
LYS86 HG3 1.00 0.023 1.00 0.25
LYS86 HD2 1.00 0.023 1.00 0.79
LYS86 HD3 1.00 0.023 1.00 0.79
LYS86 HE2 1.00 0.007 1.00 14.74
LYS86 HE3 1.00 0.039 0.10 0.00
LYS86 HA 0.77 0.019 1.00 0.05

Detailed Probabilities of LYS(86)-HE3:

Overall probability: 0.890
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.89 0.89

Expected NOESY Contacts
Proton Expected probability
K86HB2 0.99
K86HB3 0.99
K86HG2 1.00
K86HG3 1.00
K86HD2 1.00
K86HD3 1.00
K86HE2 1.00
K86HZ2 1.00
K86HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HB2 0.99 0.676 0.01 0.00
LYS86 HB3 0.99 0.012 1.00 0.11
LYS86 HG2 1.00 0.009 1.00 0.15
LYS86 HG3 1.00 0.011 1.00 0.25
LYS86 HD2 1.00 0.011 1.00 0.79
LYS86 HD3 1.00 0.011 1.00 0.79
LYS86 HE2 1.00 0.027 1.00 14.74
LYS86 HE3 1.00 0.005 1.00 25.44
LYS86 HA 0.76 0.015 1.00 0.05

Detailed Probabilities of LYS(86)-H:

Overall probability: 0.867
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.83 1.00
LYS86 0.83 1.00
PRO87 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85H 1.00
L85HB3 1.00
L85HB2 1.00
L85HG 0.98
K86HA 1.00
K86HB2 1.00
K86HB3 1.00
K86HG2 1.00
K86HG3 1.00
K86H 1.00
P87HD2 0.99
P87HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.225 0.00 0.00
LEU85 HB2 1.00 0.003 1.00 0.17
LEU85 HB3 1.00 0.000 1.00 0.21
LEU85 HG 0.98 0.003 1.00 0.22
LEU85 H 1.00 0.001 1.00 -2656679.00
LEU85 HD21 0.59 0.003 1.00 0.29
LYS86 HA 1.00 0.005 1.00 0.40
LYS86 HB2 1.00 1.240 0.00 0.00
LYS86 HB3 1.00 0.007 1.00 0.33
LYS86 HG2 1.00 0.001 1.00 0.14
LYS86 HG3 1.00 0.003 1.00 0.29
LYS86 H 1.00 0.001 1.00 -8587671.00
PRO87 HD2 0.99 0.002 1.00 0.39
PRO87 HD3 0.99 0.002 1.00 0.40
PRO87 HA 0.68 0.005 1.00 0.07