ARECA's report on PRO87

Residue probability: 0.648
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.579 175.173 13.901 0.000 0.000
CA 66.718 62.931 15.301 0.654 1.000
CB 30.461 33.632 13.629 0.375 1.000
CG 28.529 28.412 13.801 0.857 1.000
CD 50.193 49.797 3.175 0.923 1.000
N NA -- -- 0.000 0.000
HA 4.287 4.332 0.427 0.700 1.000
HB2 1.914 2.099 0.501 0.268 1.000
HB3 2.360 2.052 0.596 0.625 1.000
HG2 1.970 1.927 0.364 0.571 1.000
HG3 2.184 1.907 0.417 0.643 1.000
HD2 3.657 3.640 0.682 0.786 1.000
HD3 3.449 3.558 0.522 0.727 1.000

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Detailed Probabilities of PRO(87)-CA:

Overall probability: 0.654
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.63 1.00
PRO87 0.86 1.00
ASP88 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00
P87HA 1.00
D88H 1.00
D88HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.130 0.00 0.00
LYS86 HB2 0.58 0.033 0.70 0.00
LYS86 HB3 0.80 0.032 0.80 0.00
LYS86 H 0.68 0.005 1.00 0.07
PRO87 HA 1.00 0.000 1.00 4.95
PRO87 HB2 1.00 0.016 1.00 0.59
PRO87 HB3 1.00 0.003 1.00 0.78
PRO87 HG2 1.00 0.040 0.00 0.00
PRO87 HG3 1.00 0.001 1.00 0.22
PRO87 HD2 1.00 0.017 1.00 0.11
PRO87 HD3 1.00 0.013 1.00 0.09
ASP88 HA 1.00 0.330 0.00 0.00
ASP88 H 1.00 0.086 0.00 0.00

Detailed Probabilities of PRO(87)-CB:

Overall probability: 0.375
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.29 1.00
ASP88 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00
P87HB3 1.00
D88H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.002 1.00 0.76
PRO87 HB2 1.00 1.740 0.00 0.00
PRO87 HB3 1.00 1.294 0.00 0.00
PRO87 HG2 1.00 1.684 0.00 0.00
PRO87 HG3 1.00 1.470 0.00 0.00
PRO87 HD2 1.00 0.003 1.00 0.18
PRO87 HD3 1.00 0.205 0.00 0.00
ASP88 H 1.00 0.007 1.00 0.27

Detailed Probabilities of PRO(87)-CG:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HD2 1.00
P87HD3 1.00
P87HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.007 1.00 0.25
PRO87 HB2 1.00 0.048 0.00 0.00
PRO87 HB3 1.00 0.002 1.00 0.79
PRO87 HG2 1.00 0.008 1.00 2.62
PRO87 HG3 1.00 0.004 1.00 4.03
PRO87 HD2 1.00 0.005 1.00 0.62
PRO87 HD3 1.00 0.001 1.00 0.63

Detailed Probabilities of PRO(87)-CD:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 1.00 1.00
PRO87 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
K86HB3 1.00
K86HA 1.00
K86HB2 1.00
K86H 0.99
P87HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.026 1.00 0.27
LYS86 HB2 1.00 0.016 1.00 0.67
LYS86 HB3 1.00 0.002 1.00 1.13
LYS86 H 0.99 0.002 1.00 0.40
LYS86 HG2 0.79 0.006 1.00 0.08
LYS86 HG3 0.78 0.002 1.00 1.13
PRO87 HA 1.00 0.003 1.00 0.13
PRO87 HB2 1.00 0.050 0.00 0.00
PRO87 HB3 1.00 0.002 1.00 0.20
PRO87 HG2 1.00 0.006 1.00 1.13
PRO87 HG3 1.00 0.007 1.00 0.73
PRO87 HD2 1.00 0.000 1.00 3.70
PRO87 HD3 1.00 0.010 1.00 5.16

Detailed Probabilities of PRO(87)-HA:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.00 1.00
PRO87 0.71 1.00
ASP88 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
K86HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00
P87HA 1.00
D88H 1.00
D88HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.311 0.00 0.00
PRO87 HA 1.00 0.000 1.00 4.95
PRO87 HB2 1.00 0.068 0.00 0.00
PRO87 HB3 1.00 0.002 1.00 0.76
PRO87 HG2 1.00 2.065 0.00 0.00
PRO87 HG3 1.00 0.007 1.00 0.25
PRO87 HD2 1.00 0.001 1.00 0.12
PRO87 HD3 1.00 0.003 1.00 0.13
ASP88 HA 1.00 0.015 1.00 0.14
ASP88 H 1.00 0.002 1.00 -300985.00

Detailed Probabilities of PRO(87)-HB2:

Overall probability: 0.268
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.20 1.00
ASP88 0.51 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB3 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00
P87HB2 1.00
D88HA 0.99
D88H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.016 1.00 0.59
PRO87 HB2 1.00 0.111 0.00 0.00
PRO87 HB3 1.00 1.740 0.00 0.00
PRO87 HG2 1.00 0.036 0.40 0.00
PRO87 HG3 1.00 0.048 0.00 0.00
PRO87 HD2 1.00 0.053 0.00 0.00
PRO87 HD3 1.00 0.050 0.00 0.00
ASP88 HA 0.99 0.052 0.01 0.00
ASP88 H 1.00 0.003 1.00 -1004488.00

Detailed Probabilities of PRO(87)-HB3:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.57 1.00
ASP88 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00
P87HB3 1.00
D88H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.003 1.00 0.78
PRO87 HB2 1.00 0.557 0.00 0.00
PRO87 HB3 1.00 1.294 0.00 0.00
PRO87 HG2 1.00 0.138 0.00 0.00
PRO87 HG3 1.00 0.002 1.00 0.79
PRO87 HD2 1.00 0.002 1.00 0.12
PRO87 HD3 1.00 0.002 1.00 0.20
ASP88 H 1.00 0.005 1.00 -452100.00

Detailed Probabilities of PRO(87)-HG2:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00
P87HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.040 0.00 0.00
PRO87 HB2 1.00 0.167 0.00 0.00
PRO87 HB3 1.00 1.684 0.00 0.00
PRO87 HG2 1.00 0.014 1.00 18.77
PRO87 HG3 1.00 0.008 1.00 2.62
PRO87 HD2 1.00 0.003 1.00 1.33
PRO87 HD3 1.00 0.006 1.00 1.13

Detailed Probabilities of PRO(87)-HG3:

Overall probability: 0.643
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.64 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HD2 1.00
P87HD3 1.00
P87HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.001 1.00 0.22
PRO87 HB2 1.00 0.381 0.00 0.00
PRO87 HB3 1.00 1.470 0.00 0.00
PRO87 HG2 1.00 0.035 0.50 0.00
PRO87 HG3 1.00 0.004 1.00 4.03
PRO87 HD2 1.00 0.007 1.00 0.52
PRO87 HD3 1.00 0.007 1.00 0.73

Detailed Probabilities of PRO(87)-HD2:

Overall probability: 0.786
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 0.86 1.00
PRO87 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
K86H 0.99
K86HB3 0.99
K86HA 1.00
K86HB2 0.99
P87HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HG3 1.00
P87HD3 1.00
P87HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.045 0.00 0.00
LYS86 HB2 0.99 0.000 1.00 0.26
LYS86 HB3 0.99 0.003 1.00 0.35
LYS86 H 0.99 0.005 1.00 -717663.00
LYS86 HG2 0.93 0.029 1.00 0.16
LYS86 HD2 0.66 0.003 1.00 0.14
LYS86 HD3 0.66 0.003 1.00 0.14
PRO87 HA 1.00 0.017 1.00 0.11
PRO87 HB2 1.00 0.146 0.00 0.00
PRO87 HB3 1.00 0.003 1.00 0.18
PRO87 HG2 1.00 1.435 0.00 0.00
PRO87 HG3 1.00 0.005 1.00 0.62
PRO87 HD2 1.00 0.000 1.00 5.13
PRO87 HD3 1.00 0.000 1.00 3.70

Detailed Probabilities of PRO(87)-HD3:

Overall probability: 0.727
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LYS86 1.00 1.00
PRO87 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
K86HB3 1.00
K86HA 1.00
K86HB2 1.00
K86H 0.99
P87HA 1.00
P87HB2 1.00
P87HB3 1.00
P87HG2 1.00
P87HG3 1.00
P87HD2 1.00
P87HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LYS86 HA 1.00 0.000 1.00 0.05
LYS86 HB2 1.00 0.005 1.00 0.13
LYS86 HB3 1.00 0.002 1.00 0.22
LYS86 H 0.99 0.004 1.00 -587899.00
PRO87 HA 1.00 0.013 1.00 0.09
PRO87 HB2 1.00 0.336 0.00 0.00
PRO87 HB3 1.00 0.205 0.00 0.00
PRO87 HG2 1.00 1.227 0.00 0.00
PRO87 HG3 1.00 0.001 1.00 0.63
PRO87 HD2 1.00 0.010 1.00 3.77
PRO87 HD3 1.00 0.010 1.00 5.16