ARECA's report on LYS53

Residue probability: 0.810
Residue probability confidence: 0.935

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.430 176.660 3.133 0.000 0.000
CA 55.356 57.014 3.028 0.337 1.000
CB 31.445 32.981 3.186 0.819 1.000
CG 24.593 24.941 1.956 0.912 0.917
CD 28.780 29.020 2.193 0.891 0.900
CE 41.700 41.893 1.492 1.000 0.889
N 119.964 120.954 4.210 0.930 0.923
NZ NA -- -- 0.000 0.000
HA 4.689 4.262 0.489 0.549 1.000
HB2 0.111 1.774 0.365 0.729 1.000
HB3 1.130 1.742 0.385 0.909 1.000
HG2 1.087 1.358 0.344 0.909 0.917
HG3 0.935 1.343 0.357 1.000 0.917
HD2 1.480 1.614 0.957 0.780 0.900
HD3 1.268 1.595 0.387 0.902 0.900
HE2 2.628 2.907 0.230 0.877 0.889
HE3 2.717 2.901 0.241 0.753 0.889
H 7.962 8.185 0.605 0.671 0.923
HZ NA -- -- 0.000 0.000

[Back]

Detailed Probabilities of LYS(53)-CA:

Overall probability: 0.337
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU52 0.00 1.00
LYS53 0.25 1.00
ILE54 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
E52HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 0.98
K53HD3 0.98
K53H 1.00
K53HA 1.00
I54HA 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU52 HA 1.00 0.431 0.00 0.00
LYS53 HA 1.00 0.000 1.00 0.21
LYS53 HB2 1.00 0.824 0.00 0.00
LYS53 HB3 1.00 0.195 0.00 0.00
LYS53 HG2 1.00 0.152 0.00 0.00
LYS53 HG3 1.00 0.000 1.00 0.01
LYS53 HD2 0.98 0.545 0.02 0.00
LYS53 HD3 0.98 0.333 0.02 0.00
LYS53 H 1.00 0.842 0.00 0.00
ILE54 HA 1.00 0.157 0.00 0.00
ILE54 H 1.00 0.000 1.00 0.00
ILE54 HG13 0.65 0.024 1.00 0.01

Detailed Probabilities of LYS(53)-CB:

Overall probability: 0.819
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.90 1.00
ILE54 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
K53HB2 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 0.99
K53HE3 0.99
K53H 1.00
K53HB3 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.000 1.00 0.01
LYS53 HB2 1.00 0.000 1.00 0.07
LYS53 HB3 1.00 0.000 1.00 0.14
LYS53 HG2 1.00 0.000 1.00 0.07
LYS53 HG3 1.00 0.000 1.00 0.04
LYS53 HD2 1.00 0.000 1.00 0.01
LYS53 HD3 1.00 0.000 1.00 0.02
LYS53 HE2 0.99 0.000 1.00 0.00
LYS53 HE3 0.99 0.089 0.01 0.00
LYS53 H 1.00 0.000 1.00 0.01
ILE54 H 1.00 0.842 0.00 0.00

Detailed Probabilities of LYS(53)-CG:

Overall probability: 0.912
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 1.00 0.91
ILE54 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 1.00
K53HE3 1.00
K53H 1.00
K53HZ2 1.00
K53HG2 1.00
I54H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.000 1.00 0.01
LYS53 HB2 1.00 0.000 1.00 0.01
LYS53 HB3 1.00 0.000 1.00 0.13
LYS53 HG2 1.00 0.000 1.00 0.26
LYS53 HG3 1.00 0.000 1.00 0.17
LYS53 HD2 1.00 0.000 1.00 0.03
LYS53 HD3 1.00 0.000 1.00 0.07
LYS53 HE2 1.00 0.000 1.00 0.00
LYS53 HE3 1.00 0.000 1.00 0.01
LYS53 H 1.00 0.000 1.00 0.01
ILE54 H 0.97 0.842 0.03 0.00

Detailed Probabilities of LYS(53)-CD:

Overall probability: 0.891
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.89 0.90

Expected NOESY Contacts
Proton Expected probability
K53HA 0.98
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HE2 1.00
K53HE3 1.00
K53HZ2 1.00
K53HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 0.98 1.815 0.02 0.00
LYS53 HB2 1.00 0.000 1.00 0.02
LYS53 HB3 1.00 0.000 1.00 0.11
LYS53 HG2 1.00 0.000 1.00 0.19
LYS53 HG3 1.00 0.000 1.00 0.25
LYS53 HD2 1.00 0.000 1.00 0.39
LYS53 HD3 1.00 0.000 1.00 1.11
LYS53 HE2 1.00 0.000 1.00 0.04
LYS53 HE3 1.00 0.000 1.00 0.07

Detailed Probabilities of LYS(53)-CE:

Overall probability: 1.000
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 1.00 0.89

Expected NOESY Contacts
Proton Expected probability
K53HB2 0.99
K53HB3 0.99
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 1.00
K53HZ2 1.00
K53HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HB2 0.99 0.000 1.00 0.00
LYS53 HB3 0.99 0.000 1.00 0.06
LYS53 HG2 1.00 0.000 1.00 0.10
LYS53 HG3 1.00 0.000 1.00 0.03
LYS53 HD2 1.00 0.000 1.00 0.04
LYS53 HD3 1.00 0.000 1.00 0.05
LYS53 HE2 1.00 0.000 1.00 1.01
LYS53 HE3 1.00 0.000 1.00 2.82

Detailed Probabilities of LYS(53)-N:

Overall probability: 0.930
Overall confidence: 0.923

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU52 0.80 0.83
LYS53 1.00 1.00
ILE54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E52HG2 0.98
E52HB2 1.00
E52H 1.00
E52HG3 0.96
E52HB3 1.00
E52HA 1.00
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53H 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU52 HA 1.00 0.000 1.00 -6862.00
GLU52 HB2 1.00 0.000 1.00 -980.00
GLU52 HB3 1.00 0.000 1.00 -2187.00
GLU52 HG2 0.98 0.056 0.02 0.00
GLU52 HG3 0.96 0.000 1.00 -729.00
LYS53 HA 1.00 0.000 1.00 -935.00
LYS53 HB2 1.00 0.000 1.00 -109.00
LYS53 HB3 1.00 0.000 1.00 -2295.00
LYS53 HG2 1.00 0.000 1.00 -2223.00
LYS53 HG3 1.00 0.000 1.00 -1371.00
LYS53 H 1.00 0.000 1.00 -36450.00
LYS53 HD3 0.87 0.000 1.00 -119.00
ILE54 H 1.00 0.000 1.00 -562.00
ILE54 HG13 0.59 0.024 1.00 -1371.00

Detailed Probabilities of LYS(53)-HA:

Overall probability: 0.549
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU52 0.00 1.00
LYS53 0.63 1.00
ILE54 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E52HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 0.98
K53HD3 0.98
K53H 1.00
K53HA 1.00
I54HA 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU52 HA 1.00 0.407 0.00 0.00
LYS53 HA 1.00 0.000 1.00 0.21
LYS53 HB2 1.00 0.000 1.00 0.00
LYS53 HB3 1.00 0.000 1.00 0.01
LYS53 HG2 1.00 0.000 1.00 0.01
LYS53 HG3 1.00 1.972 0.00 0.00
LYS53 HD2 0.98 1.891 0.02 0.00
LYS53 HD3 0.98 1.815 0.02 0.00
LYS53 H 1.00 0.000 1.00 -935.00
ILE54 HA 1.00 0.137 0.00 0.00
ILE54 H 1.00 0.000 1.00 -6533.00

Detailed Probabilities of LYS(53)-HB2:

Overall probability: 0.729
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.70 1.00
ILE54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 0.98
K53HE3 0.99
K53H 1.00
K53HB2 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.824 0.00 0.00
LYS53 HB2 1.00 0.000 1.00 0.04
LYS53 HB3 1.00 0.000 1.00 0.07
LYS53 HG2 1.00 0.000 1.00 0.01
LYS53 HG3 1.00 0.824 0.00 0.00
LYS53 HD2 1.00 0.000 1.00 0.01
LYS53 HD3 1.00 0.000 1.00 0.02
LYS53 HE2 0.98 0.824 0.02 0.00
LYS53 HE3 0.99 0.000 1.00 0.00
LYS53 H 1.00 0.000 1.00 -109.00
ILE54 H 1.00 0.000 1.00 -231.00

Detailed Probabilities of LYS(53)-HB3:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.90 1.00
ILE54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
K53HB2 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 0.99
K53HE3 0.99
K53H 1.00
K53HB3 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.195 0.00 0.00
LYS53 HB2 1.00 0.000 1.00 0.06
LYS53 HB3 1.00 0.000 1.00 0.14
LYS53 HG2 1.00 0.000 1.00 0.13
LYS53 HG3 1.00 0.000 1.00 0.12
LYS53 HD2 1.00 0.000 1.00 0.05
LYS53 HD3 1.00 0.000 1.00 0.11
LYS53 HE2 0.99 0.000 1.00 0.02
LYS53 HE3 0.99 0.000 1.00 0.06
LYS53 H 1.00 0.000 1.00 -2295.00
ILE54 H 1.00 0.000 1.00 -253.00

Detailed Probabilities of LYS(53)-HG2:

Overall probability: 0.909
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.90 0.91
ILE54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 1.00
K53HE3 1.00
K53H 1.00
K53HZ2 1.00
K53HG2 1.00
I54H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.152 0.00 0.00
LYS53 HB2 1.00 0.000 1.00 0.03
LYS53 HB3 1.00 0.000 1.00 0.07
LYS53 HG2 1.00 0.000 1.00 0.26
LYS53 HG3 1.00 0.000 1.00 0.24
LYS53 HD2 1.00 0.000 1.00 0.09
LYS53 HD3 1.00 0.000 1.00 0.19
LYS53 HE2 1.00 0.000 1.00 0.02
LYS53 HE3 1.00 0.000 1.00 0.10
LYS53 H 1.00 0.000 1.00 -2223.00
ILE54 H 0.97 0.000 1.00 -809.00

Detailed Probabilities of LYS(53)-HG3:

Overall probability: 1.000
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 1.00 0.91
ILE54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 1.00
K53HE3 1.00
K53H 1.00
K53HZ2 1.00
K53HG3 1.00
I54H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 1.00 0.000 1.00 0.01
LYS53 HB2 1.00 0.000 1.00 0.01
LYS53 HB3 1.00 0.000 1.00 0.04
LYS53 HG2 1.00 0.000 1.00 0.17
LYS53 HG3 1.00 0.000 1.00 2.89
LYS53 HD2 1.00 0.000 1.00 0.07
LYS53 HD3 1.00 0.000 1.00 0.25
LYS53 HE2 1.00 0.000 1.00 0.01
LYS53 HE3 1.00 0.000 1.00 0.03
LYS53 H 1.00 0.000 1.00 -1371.00
ILE54 H 0.96 0.000 1.00 -1692.00

Detailed Probabilities of LYS(53)-HD2:

Overall probability: 0.780
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.78 0.90

Expected NOESY Contacts
Proton Expected probability
K53HA 0.98
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53HD3 1.00
K53HE2 1.00
K53HE3 1.00
K53HZ2 1.00
K53HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 0.98 0.545 0.02 0.00
LYS53 HB2 1.00 0.212 0.00 0.00
LYS53 HB3 1.00 0.000 1.00 0.01
LYS53 HG2 1.00 0.000 1.00 0.03
LYS53 HG3 1.00 0.000 1.00 0.05
LYS53 HD2 1.00 0.000 1.00 0.83
LYS53 HD3 1.00 0.000 1.00 0.39
LYS53 HE2 1.00 0.000 1.00 0.03
LYS53 HE3 1.00 0.000 1.00 0.04

Detailed Probabilities of LYS(53)-HD3:

Overall probability: 0.902
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.90 0.90

Expected NOESY Contacts
Proton Expected probability
K53HA 0.98
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HE2 1.00
K53HE3 1.00
K53HZ2 1.00
K53HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HA 0.98 0.333 0.02 0.00
LYS53 HB2 1.00 0.000 1.00 0.01
LYS53 HB3 1.00 0.000 1.00 0.02
LYS53 HG2 1.00 0.000 1.00 0.07
LYS53 HG3 1.00 0.000 1.00 0.04
LYS53 HD2 1.00 0.000 1.00 0.39
LYS53 HD3 1.00 0.000 1.00 1.11
LYS53 HE2 1.00 0.000 1.00 0.02
LYS53 HE3 1.00 0.000 1.00 0.05
LYS53 H 0.87 0.000 1.00 -119.00

Detailed Probabilities of LYS(53)-HE2:

Overall probability: 0.877
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.88 0.89

Expected NOESY Contacts
Proton Expected probability
K53HB2 0.98
K53HB3 0.99
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE3 1.00
K53HZ2 1.00
K53HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HB2 0.98 1.360 0.02 0.00
LYS53 HB3 0.99 0.000 1.00 0.00
LYS53 HG2 1.00 0.000 1.00 0.00
LYS53 HG3 1.00 0.000 1.00 0.02
LYS53 HD2 1.00 0.000 1.00 0.03
LYS53 HD3 1.00 0.000 1.00 0.04
LYS53 HE2 1.00 0.000 1.00 1.00
LYS53 HE3 1.00 0.000 1.00 1.01

Detailed Probabilities of LYS(53)-HE3:

Overall probability: 0.753
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS53 0.75 0.89

Expected NOESY Contacts
Proton Expected probability
K53HB2 0.99
K53HB3 0.99
K53HG2 1.00
K53HG3 1.00
K53HD2 1.00
K53HD3 1.00
K53HE2 1.00
K53HZ2 1.00
K53HE3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS53 HB2 0.99 1.449 0.01 0.00
LYS53 HB3 0.99 0.089 0.01 0.00
LYS53 HG2 1.00 0.000 1.00 0.01
LYS53 HG3 1.00 0.000 1.00 0.01
LYS53 HD2 1.00 0.000 1.00 0.03
LYS53 HD3 1.00 0.000 1.00 0.07
LYS53 HE2 1.00 0.000 1.00 0.67
LYS53 HE3 1.00 0.000 1.00 2.82

Detailed Probabilities of LYS(53)-H:

Overall probability: 0.671
Overall confidence: 0.923

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU52 0.61 0.83
LYS53 0.67 1.00
ILE54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E52HG2 0.98
E52HB2 1.00
E52H 1.00
E52HG3 0.96
E52HB3 1.00
E52HA 1.00
K53HA 1.00
K53HB2 1.00
K53HB3 1.00
K53HG2 1.00
K53HG3 1.00
K53H 1.00
I54H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU52 HA 1.00 0.000 1.00 0.13
GLU52 HB2 1.00 0.000 1.00 0.01
GLU52 HB3 1.00 0.000 1.00 0.01
GLU52 HG2 0.98 3.704 0.02 0.00
GLU52 HG3 0.96 3.704 0.04 0.00
LYS53 HA 1.00 0.842 0.00 0.00
LYS53 HB2 1.00 3.273 0.00 0.00
LYS53 HB3 1.00 0.000 1.00 0.01
LYS53 HG2 1.00 0.000 1.00 0.01
LYS53 HG3 1.00 0.000 1.00 0.01
LYS53 H 1.00 0.000 1.00 -36450.00
ILE54 H 1.00 0.000 1.00 -322.00