ARECA's report on SER72

Residue probability: 0.762
Residue probability confidence: 0.855

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 176.845 174.682 1.868 0.000 0.000
CA 61.365 58.750 3.025 0.429 0.857
CB 62.780 63.523 4.288 1.000 0.800
N 116.517 116.135 5.326 1.000 0.909
HA 4.365 4.486 0.430 0.571 0.857
HB 4.122 3.856 0.325 0.750 0.800
H 8.023 8.292 0.600 0.822 0.909
HG NA -- -- 0.000 0.000

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Detailed Probabilities of SER(72)-CA:

Overall probability: 0.429
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.50 1.00
SER72 0.33 0.75
LYS73 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
S72HB2 1.00
S72H 1.00
S72HG 1.00
S72HA 1.00
K73HA 1.00
K73H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.137 0.00 0.00
ILE71 HG21 0.61 0.000 1.00 0.17
SER72 HA 1.00 0.002 1.00 7.76
SER72 HB2 1.00 0.245 0.00 0.00
SER72 H 1.00 0.303 0.00 0.00
LYS73 HA 1.00 0.076 0.00 0.00
LYS73 H 1.00 0.003 1.00 0.20

Detailed Probabilities of SER(72)-CB:

Overall probability: 1.000
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER72 1.00 0.75
LYS73 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S72HA 1.00
S72HB3 1.00
S72H 1.00
S72HG 1.00
K73H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER72 HA 1.00 0.001 1.00 0.76
SER72 HB2 1.00 0.001 1.00 15.35
SER72 H 1.00 0.009 1.00 0.84
LYS73 H 1.00 0.007 1.00 0.21

Detailed Probabilities of SER(72)-N:

Overall probability: 1.000
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 1.00 1.00
SER72 1.00 0.75
LYS73 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71H 1.00
I71HB 1.00
I71HG12 0.98
I71HG13 0.95
I71HA 1.00
I71HG22 0.98
S72HA 1.00
S72HB2 1.00
S72HG 1.00
S72H 1.00
K73H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.016 1.00 -332628.00
ILE71 HB 1.00 0.002 1.00 -480652.00
ILE71 HG12 0.98 0.011 1.00 -252379.00
ILE71 HG13 0.95 0.003 1.00 -135564.00
ILE71 HG21 0.98 0.001 1.00 -381463.00
ILE71 H 1.00 0.007 1.00 -710434.00
SER72 HA 1.00 0.001 1.00 -706490.00
SER72 HB2 1.00 0.004 1.00 -1258446.00
SER72 H 1.00 0.004 1.00 -7597338.00
LYS73 H 1.00 0.001 1.00 -644280.00
LYS73 HB2 0.50 0.001 1.00 -480652.00

Detailed Probabilities of SER(72)-HA:

Overall probability: 0.571
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.50 1.00
SER72 1.00 0.75
LYS73 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
S72HB2 1.00
S72H 1.00
S72HG 1.00
S72HA 1.00
K73HA 1.00
K73H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.216 0.00 0.00
ILE71 HG21 0.61 0.003 1.00 0.15
SER72 HA 1.00 0.002 1.00 7.76
SER72 HB2 1.00 0.001 1.00 0.76
SER72 H 1.00 0.001 1.00 -706490.00
LYS73 HA 1.00 0.083 0.00 0.00
LYS73 H 1.00 0.060 0.00 0.00

Detailed Probabilities of SER(72)-HB2:

Overall probability: 0.750
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER72 0.67 0.75
LYS73 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S72HA 1.00
S72HB3 1.00
S72H 1.00
S72HG 1.00
K73H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER72 HA 1.00 0.245 0.00 0.00
SER72 HB2 1.00 0.001 1.00 15.35
SER72 H 1.00 0.004 1.00 -1258446.00
LYS73 H 1.00 0.008 1.00 -457591.00

Detailed Probabilities of SER(72)-H:

Overall probability: 0.822
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.84 1.00
SER72 0.67 0.75
LYS73 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71H 1.00
I71HB 1.00
I71HG12 0.98
I71HG13 0.95
I71HA 1.00
I71HG22 0.98
S72HA 1.00
S72HB2 1.00
S72HG 1.00
S72H 1.00
K73H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.001 1.00 0.14
ILE71 HB 1.00 0.006 1.00 0.17
ILE71 HG12 0.98 0.004 1.00 0.12
ILE71 HG13 0.95 0.583 0.05 0.00
ILE71 HG21 0.98 0.029 1.00 0.17
ILE71 H 1.00 0.002 1.00 -442658.00
SER72 HA 1.00 0.303 0.00 0.00
SER72 HB2 1.00 0.009 1.00 0.84
SER72 H 1.00 0.004 1.00 -7597338.00
LYS73 H 1.00 0.005 1.00 -549382.00
LYS73 HB2 0.50 0.008 1.00 1.13