ARECA's report on PRO41

Residue probability: 0.879
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.938 175.173 13.901 0.000 0.000
CA 64.334 62.931 15.301 0.720 1.000
CB 32.589 33.632 13.629 1.000 1.000
CG 27.140 28.412 13.801 0.817 1.000
CD 50.490 49.797 3.175 0.903 1.000
N NA -- -- 0.000 0.000
HA 4.620 4.332 0.427 0.889 1.000
HB2 2.486 2.099 0.501 1.000 1.000
HB3 2.114 2.052 0.596 0.943 1.000
HG 2.076 1.927 0.364 0.967 1.000
HD2 3.667 3.640 0.682 0.751 1.000
HD3 3.435 3.558 0.522 0.803 1.000

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Detailed Probabilities of PRO(41)-CA:

Overall probability: 0.720
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.50 1.00
PRO41 0.83 1.00
THR42 0.60 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG2 1.00
P41HD2 1.00
P41HD3 1.00
P41HA 1.00
T42HA 1.00
T42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.065 0.00 0.00
PHE40 H 0.78 0.014 1.00 0.07
PRO41 HA 1.00 0.007 1.00 22.35
PRO41 HB2 1.00 0.005 1.00 4.04
PRO41 HB3 1.00 0.008 1.00 1.94
PRO41 HG2 1.00 0.030 1.00 1.94
PRO41 HD2 1.00 0.041 0.00 0.00
PRO41 HD3 1.00 0.004 1.00 0.31
THR42 HA 1.00 0.002 1.00 0.44
THR42 H 1.00 0.038 0.20 0.00

Detailed Probabilities of PRO(41)-CB:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
P41HA 1.00
P41HB2 1.00
P41HG2 1.00
P41HD2 1.00
P41HD3 1.00
P41HB3 1.00
T42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.008 1.00 1.18
PRO41 HB2 1.00 0.008 1.00 5.52
PRO41 HB3 1.00 0.012 1.00 15.65
PRO41 HG2 1.00 0.026 1.00 15.65
PRO41 HD2 1.00 0.005 1.00 0.33
PRO41 HD3 1.00 0.000 1.00 0.36
THR42 H 1.00 0.005 1.00 0.29

Detailed Probabilities of PRO(41)-CG:

Overall probability: 0.817
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 0.82 1.00

Expected NOESY Contacts
Proton Expected probability
P41HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG3 1.00
P41HD2 1.00
P41HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.005 1.00 0.60
PRO41 HB2 1.00 0.009 1.00 2.08
PRO41 HB3 1.00 0.031 0.90 0.00
PRO41 HG2 1.00 0.007 1.00 31.34
PRO41 HD2 1.00 0.072 0.00 0.00
PRO41 HD3 1.00 0.002 1.00 1.27

Detailed Probabilities of PRO(41)-CD:

Overall probability: 0.903
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.84 1.00
PRO41 0.97 1.00

Expected NOESY Contacts
Proton Expected probability
F40H 0.98
F40HB2 0.97
F40HA 1.00
F40HB3 0.98
P41HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG2 1.00
P41HD3 1.00
P41HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.009 1.00 0.97
PHE40 HB2 0.97 0.079 0.03 0.00
PHE40 HB3 0.98 0.006 1.00 0.10
PHE40 H 0.98 0.004 1.00 0.10
PHE40 HD1 0.74 0.010 1.00 0.10
PHE40 HD2 0.55 0.010 1.00 0.10
PRO41 HA 1.00 0.015 1.00 0.25
PRO41 HB2 1.00 0.008 1.00 0.24
PRO41 HB3 1.00 0.032 0.80 0.00
PRO41 HG2 1.00 0.006 1.00 1.38
PRO41 HD2 1.00 0.010 1.00 5.13
PRO41 HD3 1.00 0.004 1.00 3.77

Detailed Probabilities of PRO(41)-HA:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00
PRO41 1.00 1.00
THR42 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG2 1.00
P41HD2 1.00
P41HD3 1.00
P41HA 1.00
T42HA 1.00
T42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.024 1.00 0.72
PRO41 HA 1.00 0.007 1.00 22.35
PRO41 HB2 1.00 0.007 1.00 2.53
PRO41 HB3 1.00 0.008 1.00 1.18
PRO41 HG2 1.00 0.005 1.00 0.60
PRO41 HD2 1.00 0.015 1.00 0.25
PRO41 HD3 1.00 0.019 1.00 0.22
THR42 HA 1.00 0.130 0.00 0.00
THR42 H 1.00 0.012 1.00 -515210.00

Detailed Probabilities of PRO(41)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
P41HA 1.00
P41HB3 1.00
P41HG2 1.00
P41HD2 1.00
P41HD3 1.00
P41HB2 1.00
T42HA 0.98
T42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.005 1.00 4.04
PRO41 HB2 1.00 0.001 1.00 12.02
PRO41 HB3 1.00 0.008 1.00 5.52
PRO41 HG2 1.00 0.009 1.00 2.08
PRO41 HD2 1.00 0.008 1.00 0.24
PRO41 HD3 1.00 0.007 1.00 0.32
THR42 HA 0.98 0.012 1.00 0.06
THR42 H 1.00 0.011 1.00 -349722.00

Detailed Probabilities of PRO(41)-HB3:

Overall probability: 0.943
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 0.93 1.00
THR42 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P41HA 1.00
P41HB2 1.00
P41HG2 1.00
P41HD2 1.00
P41HD3 1.00
P41HB3 1.00
T42H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.008 1.00 1.94
PRO41 HB2 1.00 0.006 1.00 6.93
PRO41 HB3 1.00 0.012 1.00 15.65
PRO41 HG2 1.00 0.031 0.90 0.00
PRO41 HD2 1.00 0.032 0.80 0.00
PRO41 HD3 1.00 0.031 0.90 0.00
THR42 H 1.00 0.026 1.00 -1809049.00

Detailed Probabilities of PRO(41)-HG2:

Overall probability: 0.967
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO41 0.97 1.00

Expected NOESY Contacts
Proton Expected probability
P41HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG3 1.00
P41HD2 1.00
P41HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO41 HA 1.00 0.030 1.00 1.94
PRO41 HB2 1.00 0.032 0.80 0.00
PRO41 HB3 1.00 0.026 1.00 15.65
PRO41 HG2 1.00 0.007 1.00 31.34
PRO41 HD2 1.00 0.006 1.00 1.38
PRO41 HD3 1.00 0.007 1.00 1.40

Detailed Probabilities of PRO(41)-HD2:

Overall probability: 0.751
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.84 1.00
PRO41 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
F40H 0.98
F40HB2 0.97
F40HA 1.00
F40HB3 0.98
P41HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG2 1.00
P41HD3 1.00
P41HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.017 1.00 0.98
PHE40 HB2 0.97 0.012 1.00 0.06
PHE40 HB3 0.98 0.148 0.02 0.00
PHE40 H 0.98 0.016 1.00 -193960.00
PHE40 HD1 0.74 0.008 1.00 0.13
PHE40 HD2 0.55 0.008 1.00 0.13
PRO41 HA 1.00 0.041 0.00 0.00
PRO41 HB2 1.00 0.007 1.00 0.35
PRO41 HB3 1.00 0.005 1.00 0.33
PRO41 HG2 1.00 0.072 0.00 0.00
PRO41 HD2 1.00 0.010 1.00 5.13
PRO41 HD3 1.00 0.010 1.00 3.70

Detailed Probabilities of PRO(41)-HD3:

Overall probability: 0.803
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.51 1.00
PRO41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40H 0.97
F40HB2 0.98
F40HA 1.00
F40HB3 0.99
P41HA 1.00
P41HB2 1.00
P41HB3 1.00
P41HG2 1.00
P41HD2 1.00
P41HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.005 1.00 0.99
PHE40 HB2 0.98 0.083 0.02 0.00
PHE40 HB3 0.99 0.084 0.01 0.00
PHE40 H 0.97 0.006 1.00 -364200.00
PRO41 HA 1.00 0.004 1.00 0.31
PRO41 HB2 1.00 0.001 1.00 0.46
PRO41 HB3 1.00 0.000 1.00 0.36
PRO41 HG2 1.00 0.002 1.00 1.27
PRO41 HD2 1.00 0.004 1.00 3.77
PRO41 HD3 1.00 0.004 1.00 5.16