ARECA's report on LYS77

Residue probability: 0.712
Residue probability confidence: 0.945

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.138 176.660 3.133 0.000 0.000
CA 55.070 57.014 3.028 0.769 1.000
CB 32.217 32.981 3.186 0.365 1.000
CG 24.491 24.941 1.956 1.000 0.917
CD 28.205 29.020 2.193 0.700 0.900
CE 41.931 41.893 1.492 0.780 0.889
N 122.866 120.954 4.210 0.923 1.000
NZ NA -- -- 0.000 0.000
HA 4.548 4.262 0.489 0.820 1.000
HB2 1.843 1.774 0.365 0.639 1.000
HB3 1.841 1.742 0.385 0.638 1.000
HG2 1.355 1.358 0.344 0.636 0.917
HG3 1.171 1.343 0.357 0.818 0.917
HD2 1.624 1.614 0.957 0.444 0.900
HD3 1.623 1.595 0.387 0.444 0.900
HE2 2.825 2.907 0.230 0.750 0.889
HE3 2.576 2.901 0.241 0.753 0.889
H 8.290 8.185 0.605 0.913 1.000
HZ NA -- -- 0.000 0.000

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Detailed Probabilities of LYS(77)-CA:

Overall probability: 0.769
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TYR76 0.50 1.00
LYS77 0.88 1.00
VAL78 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
Y76HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77HD2 0.98
K77HD3 0.98
K77H 1.00
K77HA 1.00
V78HA 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TYR76 HA 1.00 0.524 0.00 0.00
TYR76 HB2 0.61 0.023 1.00 0.14
LYS77 HA 1.00 0.309 0.00 0.00
LYS77 HB2 1.00 0.002 1.00 0.82
LYS77 HB3 1.00 0.004 1.00 0.82
LYS77 HG2 1.00 0.006 1.00 0.27
LYS77 HG3 1.00 0.003 1.00 0.20
LYS77 HD2 0.98 0.008 1.00 0.58
LYS77 HD3 0.98 0.009 1.00 0.58
LYS77 H 1.00 0.019 1.00 0.30
VAL78 HA 1.00 0.136 0.00 0.00
VAL78 H 1.00 0.006 1.00 1.39
VAL78 HG21 0.50 0.005 1.00 0.13

Detailed Probabilities of LYS(77)-CB:

Overall probability: 0.365
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.40 1.00
VAL78 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K77HA 1.00
K77HB2 1.00
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 0.99
K77HE3 0.99
K77H 1.00
K77HB3 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 1.00 0.001 1.00 0.92
LYS77 HB2 1.00 0.657 0.00 0.00
LYS77 HB3 1.00 0.655 0.00 0.00
LYS77 HG2 1.00 0.169 0.00 0.00
LYS77 HG3 1.00 0.015 1.00 0.52
LYS77 HD2 1.00 0.438 0.00 0.00
LYS77 HD3 1.00 0.437 0.00 0.00
LYS77 HE2 0.99 0.010 1.00 0.05
LYS77 HE3 0.99 0.259 0.01 0.00
LYS77 H 1.00 0.007 1.00 0.39
VAL78 H 1.00 0.467 0.00 0.00

Detailed Probabilities of LYS(77)-CG:

Overall probability: 1.000
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 1.00 0.91
VAL78 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K77HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 1.00
K77HE3 1.00
K77H 1.00
K77HZ2 1.00
K77HG3 1.00
V78H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 1.00 0.003 1.00 0.20
LYS77 HB2 1.00 0.005 1.00 0.69
LYS77 HB3 1.00 0.007 1.00 0.69
LYS77 HG2 1.00 0.004 1.00 2.48
LYS77 HG3 1.00 0.004 1.00 4.79
LYS77 HD2 1.00 0.002 1.00 0.78
LYS77 HD3 1.00 0.003 1.00 0.78
LYS77 HE2 1.00 0.005 1.00 0.16
LYS77 HE3 1.00 0.004 1.00 0.27
LYS77 H 1.00 0.001 1.00 0.07
VAL78 H 0.96 0.004 1.00 0.16

Detailed Probabilities of LYS(77)-CD:

Overall probability: 0.700
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.70 0.90

Expected NOESY Contacts
Proton Expected probability
K77HA 0.98
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77HD3 1.00
K77HE2 1.00
K77HE3 1.00
K77HZ2 1.00
K77HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 0.98 0.000 1.00 0.64
LYS77 HB2 1.00 0.003 1.00 0.49
LYS77 HB3 1.00 0.001 1.00 0.49
LYS77 HG2 1.00 0.007 1.00 0.81
LYS77 HG3 1.00 0.191 0.00 0.00
LYS77 HD2 1.00 0.216 0.00 0.00
LYS77 HD3 1.00 0.217 0.00 0.00
LYS77 HE2 1.00 0.001 1.00 0.62
LYS77 HE3 1.00 0.001 1.00 0.62
LYS77 H 0.88 0.015 1.00 0.06

Detailed Probabilities of LYS(77)-CE:

Overall probability: 0.780
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.78 0.89

Expected NOESY Contacts
Proton Expected probability
K77HB2 0.99
K77HB3 0.99
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 1.00
K77HZ2 1.00
K77HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HB2 0.99 0.213 0.01 0.00
LYS77 HB3 0.99 0.211 0.01 0.00
LYS77 HG2 1.00 0.002 1.00 0.20
LYS77 HG3 1.00 0.004 1.00 0.40
LYS77 HD2 1.00 0.006 1.00 0.99
LYS77 HD3 1.00 0.007 1.00 0.99
LYS77 HE2 1.00 0.004 1.00 4.70
LYS77 HE3 1.00 0.003 1.00 11.95
LYS77 HA 0.76 0.009 1.00 0.07

Detailed Probabilities of LYS(77)-N:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TYR76 1.00 1.00
LYS77 0.83 1.00
VAL78 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Y76H 1.00
Y76HB3 1.00
Y76HA 1.00
Y76HB2 1.00
K77HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77H 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TYR76 HA 1.00 0.011 1.00 -631564.00
TYR76 HB2 1.00 0.004 1.00 -281448.00
TYR76 HB3 1.00 0.005 1.00 -403143.00
TYR76 H 1.00 0.001 1.00 -76987.00
TYR76 HD1 0.79 0.001 1.00 -207367.00
TYR76 HD2 0.66 0.001 1.00 -207367.00
LYS77 HA 1.00 0.023 1.00 -463801.00
LYS77 HB2 1.00 0.005 1.00 -727474.00
LYS77 HB3 1.00 0.007 1.00 -727474.00
LYS77 HG2 1.00 0.183 0.00 0.00
LYS77 HG3 1.00 0.001 1.00 -86032.00
LYS77 H 1.00 0.014 1.00 -5070981.00
VAL78 H 1.00 0.005 1.00 -100425.00

Detailed Probabilities of LYS(77)-HA:

Overall probability: 0.820
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TYR76 0.50 1.00
LYS77 0.90 1.00
VAL78 0.77 1.00

Expected NOESY Contacts
Proton Expected probability
Y76HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77HD2 0.98
K77HD3 0.98
K77H 1.00
K77HA 1.00
V78HA 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TYR76 HA 1.00 0.218 0.00 0.00
TYR76 HB3 0.84 0.020 1.00 1.14
LYS77 HA 1.00 0.309 0.00 0.00
LYS77 HB2 1.00 0.001 1.00 0.92
LYS77 HB3 1.00 0.001 1.00 0.92
LYS77 HG2 1.00 0.000 1.00 0.10
LYS77 HG3 1.00 0.003 1.00 0.20
LYS77 HD2 0.98 0.000 1.00 0.64
LYS77 HD3 0.98 0.000 1.00 0.64
LYS77 H 1.00 0.023 1.00 -463801.00
LYS77 HE2 0.77 0.025 1.00 0.17
LYS77 HE3 0.76 0.009 1.00 0.07
VAL78 HA 1.00 0.037 0.30 0.00
VAL78 H 1.00 0.000 1.00 -1716215.00
VAL78 HG21 0.50 0.001 1.00 0.21

Detailed Probabilities of LYS(77)-HB2:

Overall probability: 0.639
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.60 1.00
VAL78 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K77HA 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 0.98
K77HE3 0.99
K77H 1.00
K77HB2 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 1.00 0.002 1.00 0.82
LYS77 HB2 1.00 0.657 0.00 0.00
LYS77 HB3 1.00 0.657 0.00 0.00
LYS77 HG2 1.00 0.016 1.00 0.97
LYS77 HG3 1.00 0.005 1.00 0.69
LYS77 HD2 1.00 0.003 1.00 0.49
LYS77 HD3 1.00 0.003 1.00 0.49
LYS77 HE2 0.98 0.082 0.02 0.00
LYS77 HE3 0.99 0.213 0.01 0.00
LYS77 H 1.00 0.005 1.00 -727474.00
VAL78 H 1.00 0.004 1.00 -244516.00

Detailed Probabilities of LYS(77)-HB3:

Overall probability: 0.638
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.60 1.00
VAL78 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K77HA 1.00
K77HB2 1.00
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 0.99
K77HE3 0.99
K77H 1.00
K77HB3 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 1.00 0.004 1.00 0.82
LYS77 HB2 1.00 0.655 0.00 0.00
LYS77 HB3 1.00 0.655 0.00 0.00
LYS77 HG2 1.00 0.018 1.00 0.97
LYS77 HG3 1.00 0.007 1.00 0.69
LYS77 HD2 1.00 0.001 1.00 0.49
LYS77 HD3 1.00 0.001 1.00 0.49
LYS77 HE2 0.99 0.084 0.01 0.00
LYS77 HE3 0.99 0.211 0.01 0.00
LYS77 H 1.00 0.007 1.00 -727474.00
VAL78 H 1.00 0.006 1.00 -244516.00

Detailed Probabilities of LYS(77)-HG2:

Overall probability: 0.636
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.60 0.91
VAL78 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K77HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 1.00
K77HE3 1.00
K77H 1.00
K77HZ2 1.00
K77HG2 1.00
V78H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 1.00 0.006 1.00 0.27
LYS77 HB2 1.00 0.169 0.00 0.00
LYS77 HB3 1.00 0.169 0.00 0.00
LYS77 HG2 1.00 0.029 1.00 36.93
LYS77 HG3 1.00 0.004 1.00 2.48
LYS77 HD2 1.00 0.007 1.00 0.81
LYS77 HD3 1.00 0.007 1.00 0.81
LYS77 HE2 1.00 0.082 0.00 0.00
LYS77 HE3 1.00 0.002 1.00 0.20
LYS77 H 1.00 0.183 0.00 0.00
VAL78 H 0.98 0.002 1.00 -79349.00

Detailed Probabilities of LYS(77)-HG3:

Overall probability: 0.818
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.80 0.91
VAL78 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K77HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 1.00
K77HE3 1.00
K77H 1.00
K77HZ2 1.00
K77HG3 1.00
V78H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 1.00 0.003 1.00 0.20
LYS77 HB2 1.00 0.015 1.00 0.52
LYS77 HB3 1.00 0.015 1.00 0.52
LYS77 HG2 1.00 0.011 1.00 2.41
LYS77 HG3 1.00 0.004 1.00 4.79
LYS77 HD2 1.00 0.191 0.00 0.00
LYS77 HD3 1.00 0.191 0.00 0.00
LYS77 HE2 1.00 0.004 1.00 0.25
LYS77 HE3 1.00 0.004 1.00 0.40
LYS77 H 1.00 0.001 1.00 -86032.00
VAL78 H 0.96 0.001 1.00 -183943.00

Detailed Probabilities of LYS(77)-HD2:

Overall probability: 0.444
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.44 0.90

Expected NOESY Contacts
Proton Expected probability
K77HA 0.98
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77HD3 1.00
K77HE2 1.00
K77HE3 1.00
K77HZ2 1.00
K77HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 0.98 0.008 1.00 0.58
LYS77 HB2 1.00 0.438 0.00 0.00
LYS77 HB3 1.00 0.438 0.00 0.00
LYS77 HG2 1.00 0.092 0.00 0.00
LYS77 HG3 1.00 0.002 1.00 0.78
LYS77 HD2 1.00 0.216 0.00 0.00
LYS77 HD3 1.00 0.216 0.00 0.00
LYS77 HE2 1.00 0.025 1.00 2.01
LYS77 HE3 1.00 0.006 1.00 0.99

Detailed Probabilities of LYS(77)-HD3:

Overall probability: 0.444
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.44 0.90

Expected NOESY Contacts
Proton Expected probability
K77HA 0.98
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HE2 1.00
K77HE3 1.00
K77HZ2 1.00
K77HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HA 0.98 0.009 1.00 0.58
LYS77 HB2 1.00 0.437 0.00 0.00
LYS77 HB3 1.00 0.437 0.00 0.00
LYS77 HG2 1.00 0.091 0.00 0.00
LYS77 HG3 1.00 0.003 1.00 0.78
LYS77 HD2 1.00 0.217 0.00 0.00
LYS77 HD3 1.00 0.217 0.00 0.00
LYS77 HE2 1.00 0.026 1.00 2.01
LYS77 HE3 1.00 0.007 1.00 0.99

Detailed Probabilities of LYS(77)-HE2:

Overall probability: 0.750
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.75 0.89

Expected NOESY Contacts
Proton Expected probability
K77HB2 0.98
K77HB3 0.99
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE3 1.00
K77HZ2 1.00
K77HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HB2 0.98 0.010 1.00 0.05
LYS77 HB3 0.99 0.010 1.00 0.05
LYS77 HG2 1.00 0.043 0.00 0.00
LYS77 HG3 1.00 0.005 1.00 0.16
LYS77 HD2 1.00 0.001 1.00 0.62
LYS77 HD3 1.00 0.001 1.00 0.62
LYS77 HE2 1.00 0.045 0.00 0.00
LYS77 HE3 1.00 0.004 1.00 4.70

Detailed Probabilities of LYS(77)-HE3:

Overall probability: 0.753
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS77 0.75 0.89

Expected NOESY Contacts
Proton Expected probability
K77HB2 0.99
K77HB3 0.99
K77HG2 1.00
K77HG3 1.00
K77HD2 1.00
K77HD3 1.00
K77HE2 1.00
K77HZ2 1.00
K77HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS77 HB2 0.99 0.259 0.01 0.00
LYS77 HB3 0.99 0.259 0.01 0.00
LYS77 HG2 1.00 0.001 1.00 0.14
LYS77 HG3 1.00 0.004 1.00 0.27
LYS77 HD2 1.00 0.001 1.00 0.62
LYS77 HD3 1.00 0.001 1.00 0.62
LYS77 HE2 1.00 0.002 1.00 4.53
LYS77 HE3 1.00 0.003 1.00 11.95

Detailed Probabilities of LYS(77)-H:

Overall probability: 0.913
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
TYR76 0.83 1.00
LYS77 1.00 1.00
VAL78 0.70 1.00

Expected NOESY Contacts
Proton Expected probability
Y76H 1.00
Y76HB3 1.00
Y76HA 1.00
Y76HB2 1.00
K77HA 1.00
K77HB2 1.00
K77HB3 1.00
K77HG2 1.00
K77HG3 1.00
K77H 1.00
V78H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
TYR76 HA 1.00 0.012 1.00 0.31
TYR76 HB2 1.00 0.015 1.00 0.10
TYR76 HB3 1.00 0.051 0.00 0.00
TYR76 H 1.00 0.009 1.00 -114622.00
TYR76 HD1 0.79 0.013 1.00 0.23
TYR76 HD2 0.66 0.013 1.00 0.23
LYS77 HA 1.00 0.019 1.00 0.30
LYS77 HB2 1.00 0.007 1.00 0.39
LYS77 HB3 1.00 0.007 1.00 0.39
LYS77 HG2 1.00 0.003 1.00 0.11
LYS77 HG3 1.00 0.001 1.00 0.07
LYS77 H 1.00 0.014 1.00 -5070981.00
LYS77 HD2 0.88 0.015 1.00 0.06
LYS77 HD3 0.87 0.015 1.00 0.06
VAL78 H 1.00 0.033 0.70 0.00