ARECA's report on THR42

Residue probability: 0.731
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 57.417 62.330 4.136 0.732 0.909
CB 70.881 69.395 4.500 0.430 0.857
CG2 21.440 21.588 1.595 0.825 0.800
N 104.189 115.370 5.913 0.909 0.900
HA 4.980 4.461 0.626 0.833 0.909
HB 4.489 4.172 0.855 0.779 0.857
HG2 1.239 1.134 0.349 0.575 0.800
H 7.123 8.272 1.597 0.768 0.900
HG1 NA -- -- 0.000 0.000

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Detailed Probabilities of THR(42)-CA:

Overall probability: 0.732
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 0.50 1.00
THR42 1.00 0.80
PRO43 0.61 1.00

Expected NOESY Contacts
Proton Expected probability
P41HB2 0.98
P41HA 1.00
T42HB 1.00
T42HG21 1.00
T42H 1.00
T42HG1 1.00
T42HA 1.00
P43HD2 1.00
P43HD3 1.00
P43HG2 0.95
P43HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.130 0.00 0.00
PRO41 HB2 0.98 0.012 1.00 0.06
THR42 HA 1.00 0.003 1.00 7.68
THR42 HB 1.00 0.001 1.00 1.11
THR42 HG21 1.00 0.004 1.00 1.19
THR42 H 1.00 0.006 1.00 0.66
PRO43 HA 1.00 0.024 1.00 0.18
PRO43 HG2 0.95 0.052 0.05 0.00
PRO43 HD2 1.00 0.077 0.00 0.00
PRO43 HD3 1.00 0.003 1.00 1.37
PRO43 HB3 0.77 0.023 1.00 0.40

Detailed Probabilities of THR(42)-CB:

Overall probability: 0.430
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.25 0.80
PRO43 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
T42HA 1.00
T42HG21 1.00
T42H 1.00
T42HG1 1.00
T42HB 1.00
P43HD3 0.99
P43HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.118 0.00 0.00
THR42 HB 1.00 0.293 0.00 0.00
THR42 HG21 1.00 0.518 0.00 0.00
THR42 H 1.00 0.004 1.00 0.21
PRO43 HD2 0.99 0.001 1.00 1.23
PRO43 HD3 0.99 0.079 0.01 0.00
PRO43 HG2 0.58 0.000 1.00 0.23

Detailed Probabilities of THR(42)-CG2:

Overall probability: 0.825
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.82 0.80

Expected NOESY Contacts
Proton Expected probability
T42HA 1.00
T42HB 1.00
T42HG22 1.00
T42H 1.00
T42HG1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.010 1.00 1.37
THR42 HB 1.00 0.008 1.00 4.03
THR42 HG21 1.00 0.037 0.30 0.00
THR42 H 1.00 0.002 1.00 0.54

Detailed Probabilities of THR(42)-N:

Overall probability: 0.909
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 1.00 1.00
THR42 1.00 0.80
PRO43 0.45 1.00

Expected NOESY Contacts
Proton Expected probability
P41HB2 1.00
P41HB3 1.00
P41HA 1.00
T42HA 1.00
T42HB 1.00
T42HG21 1.00
T42HG1 1.00
T42H 1.00
P43HD2 1.00
P43HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.012 1.00 -515210.00
PRO41 HB2 1.00 0.011 1.00 -349722.00
PRO41 HB3 1.00 0.026 1.00 -1809049.00
PRO41 HG2 0.92 0.012 1.00 -1809049.00
PRO41 HD2 0.67 0.008 1.00 -1149313.00
PRO41 HD3 0.58 0.001 1.00 -502078.00
THR42 HA 1.00 0.009 1.00 -1262105.00
THR42 HB 1.00 0.001 1.00 -399383.00
THR42 HG21 1.00 0.004 1.00 -1260604.00
THR42 H 1.00 0.004 1.00 -24023406.00
PRO43 HD2 1.00 0.049 0.00 0.00
PRO43 HD3 0.99 0.031 0.90 0.00

Detailed Probabilities of THR(42)-HA:

Overall probability: 0.833
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 1.00 1.00
THR42 0.75 0.80
PRO43 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
P41HB2 0.98
P41HA 1.00
T42HB 1.00
T42HG21 1.00
T42H 1.00
T42HG1 1.00
T42HA 1.00
P43HD2 1.00
P43HD3 1.00
P43HG2 0.95
P43HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.002 1.00 0.44
PRO41 HB2 0.98 0.027 1.00 0.10
THR42 HA 1.00 0.003 1.00 7.68
THR42 HB 1.00 0.118 0.00 0.00
THR42 HG21 1.00 0.010 1.00 1.37
THR42 H 1.00 0.009 1.00 -1262105.00
PRO43 HA 1.00 0.003 1.00 0.06
PRO43 HG2 0.95 0.010 1.00 0.20
PRO43 HD2 1.00 0.005 1.00 0.80
PRO43 HD3 1.00 0.093 0.00 0.00
PRO43 HB3 0.77 0.001 1.00 0.06
PRO43 HG3 0.94 0.001 1.00 0.13

Detailed Probabilities of THR(42)-HB:

Overall probability: 0.779
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.75 0.80
PRO43 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
T42HA 1.00
T42HG21 1.00
T42H 1.00
T42HG1 1.00
T42HB 1.00
P43HD3 0.99
P43HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.001 1.00 1.11
THR42 HB 1.00 0.293 0.00 0.00
THR42 HG21 1.00 0.008 1.00 4.03
THR42 H 1.00 0.001 1.00 -399383.00
PRO43 HD2 0.99 0.001 1.00 0.77
PRO43 HD3 0.99 0.116 0.01 0.00
PRO43 HA 0.83 0.000 1.00 0.06
PRO43 HG2 0.58 0.012 1.00 0.17
PRO43 HG3 0.52 0.007 1.00 0.14

Detailed Probabilities of THR(42)-HG21:

Overall probability: 0.575
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
THR42 0.58 0.80

Expected NOESY Contacts
Proton Expected probability
T42HA 1.00
T42HB 1.00
T42HG22 1.00
T42H 1.00
T42HG1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
THR42 HA 1.00 0.004 1.00 1.19
THR42 HB 1.00 0.518 0.00 0.00
THR42 HG21 1.00 0.037 0.30 0.00
THR42 H 1.00 0.004 1.00 -1260604.00

Detailed Probabilities of THR(42)-H:

Overall probability: 0.768
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 0.87 1.00
THR42 1.00 0.80
PRO43 0.01 1.00

Expected NOESY Contacts
Proton Expected probability
P41HB2 1.00
P41HB3 1.00
P41HA 1.00
T42HA 1.00
T42HB 1.00
T42HG21 1.00
T42HG1 1.00
T42H 1.00
P43HD2 1.00
P43HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.038 0.20 0.00
PRO41 HB2 1.00 0.002 1.00 0.19
PRO41 HB3 1.00 0.005 1.00 0.29
PRO41 HG2 0.92 0.004 1.00 0.56
PRO41 HD2 0.67 0.008 1.00 0.35
PRO41 HD3 0.58 0.009 1.00 0.22
THR42 HA 1.00 0.006 1.00 0.66
THR42 HB 1.00 0.004 1.00 0.21
THR42 HG21 1.00 0.002 1.00 0.54
THR42 H 1.00 0.004 1.00 -24023406.00
PRO43 HD2 1.00 0.117 0.00 0.00
PRO43 HD3 0.99 0.314 0.01 0.00