ARECA's report on THR18

Residue probability: 0.888
Residue probability confidence: 0.867

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 60.000 62.330 4.136 0.889 0.900
CB 69.312 69.395 4.500 0.875 0.857
CG2 20.412 21.588 1.595 1.000 0.800
N 111.515 115.370 5.913 0.801 0.909
HA 4.938 4.461 0.626 0.908 0.900
HB 4.508 4.172 0.855 0.857 0.857
HG2 1.049 1.134 0.349 1.000 0.800
H 8.745 8.272 1.597 0.771 0.909
HG1 NA -- -- 0.000 0.000

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Detailed Probabilities of THR(18)-CA:

Overall probability: 0.889
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 1.00 1.00
THR18 0.75 0.80
PRO19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D17HA 1.00
T18HB 1.00
T18HG21 1.00
T18H 1.00
T18HG1 1.00
T18HA 1.00
P19HD2 1.00
P19HD3 1.00
P19HG2 0.95
P19HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.020 1.00 0.27
THR18 HA 1.00 0.004 1.00 5.02
THR18 HB 1.00 0.000 1.00 0.99
THR18 HG21 1.00 0.022 1.00 1.04
THR18 H 1.00 0.083 0.00 0.00
PRO19 HA 1.00 0.028 1.00 0.34
PRO19 HG2 0.95 0.005 1.00 0.62
PRO19 HD2 1.00 0.004 1.00 1.19
PRO19 HD3 1.00 0.003 1.00 0.76

Detailed Probabilities of THR(18)-CB:

Overall probability: 0.875
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 0.75 0.80
PRO19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T18HA 1.00
T18HG21 1.00
T18H 1.00
T18HG1 1.00
T18HB 1.00
P19HD3 0.99
P19HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.009 1.00 0.99
THR18 HB 1.00 0.136 0.00 0.00
THR18 HG21 1.00 0.005 1.00 1.21
THR18 H 1.00 0.015 1.00 0.12
PRO19 HD2 0.99 0.002 1.00 0.73
PRO19 HD3 0.99 0.007 1.00 1.10
PRO19 HG2 0.58 0.002 1.00 0.17
PRO19 HG3 0.52 0.025 1.00 0.14

Detailed Probabilities of THR(18)-CG2:

Overall probability: 1.000
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 1.00 0.80

Expected NOESY Contacts
Proton Expected probability
T18HA 1.00
T18HB 1.00
T18HG22 1.00
T18H 1.00
T18HG1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.001 1.00 1.32
THR18 HB 1.00 0.013 1.00 2.11
THR18 HG21 1.00 0.006 1.00 55.38
THR18 H 1.00 0.005 1.00 0.87

Detailed Probabilities of THR(18)-N:

Overall probability: 0.801
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 1.00 1.00
THR18 1.00 0.80
PRO19 0.01 1.00

Expected NOESY Contacts
Proton Expected probability
D17H 1.00
D17HA 1.00
D17HB2 1.00
D17HB3 1.00
T18HA 1.00
T18HB 1.00
T18HG21 1.00
T18HG1 1.00
T18H 1.00
P19HD2 1.00
P19HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.007 1.00 -1577892.00
ASP17 HB2 1.00 0.008 1.00 -691770.00
ASP17 HB3 1.00 0.004 1.00 -455497.00
ASP17 H 1.00 0.000 1.00 -138823.00
THR18 HA 1.00 0.001 1.00 -327620.00
THR18 HB 1.00 0.014 1.00 -176466.00
THR18 HG21 1.00 0.006 1.00 -621092.00
THR18 H 1.00 0.005 1.00 -4237646.00
PRO19 HD2 1.00 0.649 0.00 0.00
PRO19 HD3 0.99 0.878 0.01 0.00

Detailed Probabilities of THR(18)-HA:

Overall probability: 0.908
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 0.67 1.00
THR18 1.00 0.80
PRO19 0.98 1.00

Expected NOESY Contacts
Proton Expected probability
D17HA 1.00
T18HB 1.00
T18HG21 1.00
T18H 1.00
T18HG1 1.00
T18HA 1.00
P19HD2 1.00
P19HD3 1.00
P19HG2 0.95
P19HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.050 0.00 0.00
ASP17 HB2 0.51 0.020 1.00 0.06
ASP17 HB3 0.83 0.008 1.00 0.06
THR18 HA 1.00 0.004 1.00 5.02
THR18 HB 1.00 0.009 1.00 0.99
THR18 HG21 1.00 0.001 1.00 1.32
THR18 H 1.00 0.001 1.00 -327620.00
PRO19 HA 1.00 0.031 0.90 0.00
PRO19 HG2 0.95 0.006 1.00 0.18
PRO19 HD2 1.00 0.001 1.00 0.99
PRO19 HD3 1.00 0.002 1.00 0.69
PRO19 HG3 0.94 0.005 1.00 0.16

Detailed Probabilities of THR(18)-HB:

Overall probability: 0.857
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 0.75 0.80
PRO19 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
T18HA 1.00
T18HG21 1.00
T18H 1.00
T18HG1 1.00
T18HB 1.00
P19HD3 0.99
P19HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.000 1.00 0.99
THR18 HB 1.00 0.136 0.00 0.00
THR18 HG21 1.00 0.013 1.00 2.11
THR18 H 1.00 0.014 1.00 -176466.00
PRO19 HD2 0.99 0.001 1.00 0.70
PRO19 HD3 0.99 0.000 1.00 0.85
PRO19 HG2 0.58 0.003 1.00 0.51

Detailed Probabilities of THR(18)-HG21:

Overall probability: 1.000
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR18 1.00 0.80

Expected NOESY Contacts
Proton Expected probability
T18HA 1.00
T18HB 1.00
T18HG22 1.00
T18H 1.00
T18HG1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR18 HA 1.00 0.022 1.00 1.04
THR18 HB 1.00 0.005 1.00 1.21
THR18 HG21 1.00 0.006 1.00 55.38
THR18 H 1.00 0.006 1.00 -621092.00

Detailed Probabilities of THR(18)-H:

Overall probability: 0.771
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP17 1.00 1.00
THR18 0.75 0.80
PRO19 0.35 1.00

Expected NOESY Contacts
Proton Expected probability
D17H 1.00
D17HA 1.00
D17HB2 1.00
D17HB3 1.00
T18HA 1.00
T18HB 1.00
T18HG21 1.00
T18HG1 1.00
T18H 1.00
P19HD2 1.00
P19HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP17 HA 1.00 0.002 1.00 1.18
ASP17 HB2 1.00 0.006 1.00 0.50
ASP17 HB3 1.00 0.003 1.00 0.32
ASP17 H 1.00 0.012 1.00 -257706.00
THR18 HA 1.00 0.083 0.00 0.00
THR18 HB 1.00 0.015 1.00 0.12
THR18 HG21 1.00 0.005 1.00 0.87
THR18 H 1.00 0.005 1.00 -4237646.00
PRO19 HD2 1.00 0.033 0.70 0.00
PRO19 HD3 0.99 0.907 0.01 0.00