ARECA's report on PRO21

Residue probability: 0.810
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.473 175.173 13.901 0.000 0.000
CA 64.513 62.931 15.301 0.811 1.000
CB 32.124 33.632 13.629 0.889 1.000
CG 27.140 28.412 13.801 0.714 1.000
CD 51.083 49.797 3.175 1.000 1.000
N NA -- -- 0.000 0.000
HA 4.612 4.332 0.427 0.880 1.000
HB2 2.018 2.099 0.501 0.778 1.000
HB3 2.488 2.052 0.596 1.000 1.000
HG2 2.104 1.927 0.364 0.443 1.000
HG3 2.019 1.907 0.417 0.667 1.000
HD 3.987 3.640 0.682 0.920 1.000

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Detailed Probabilities of PRO(21)-CA:

Overall probability: 0.811
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN20 1.00 1.00
PRO21 0.87 1.00
ASN22 0.55 1.00

Expected NOESY Contacts
Proton Expected probability
N20HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG2 1.00
P21HG3 1.00
P21HD2 1.00
P21HA 1.00
N22H 1.00
N22HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN20 HA 1.00 0.015 1.00 0.12
PRO21 HA 1.00 0.001 1.00 22.35
PRO21 HB2 1.00 0.000 1.00 1.89
PRO21 HB3 1.00 0.007 1.00 4.04
PRO21 HG2 1.00 0.002 1.00 1.94
PRO21 HG3 1.00 0.001 1.00 1.89
PRO21 HD2 1.00 0.038 0.20 0.00
ASN22 HA 1.00 0.039 0.10 0.00
ASN22 H 1.00 0.014 1.00 0.38

Detailed Probabilities of PRO(21)-CB:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO21 0.83 1.00
ASN22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P21HA 1.00
P21HB3 1.00
P21HG2 1.00
P21HG3 1.00
P21HD2 1.00
P21HB2 1.00
N22HA 0.98
N22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO21 HA 1.00 0.002 1.00 1.52
PRO21 HB2 1.00 0.000 1.00 17.43
PRO21 HB3 1.00 0.002 1.00 6.24
PRO21 HG2 1.00 0.086 0.00 0.00
PRO21 HG3 1.00 0.001 1.00 17.43
PRO21 HD2 1.00 0.004 1.00 0.88
ASN22 HA 0.98 0.007 1.00 0.16
ASN22 H 1.00 0.003 1.00 0.12
ASN22 HB2 0.56 0.004 1.00 0.53

Detailed Probabilities of PRO(21)-CG:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN20 1.00 1.00
PRO21 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
N20HA 0.95
P21HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG3 1.00
P21HD2 1.00
P21HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN20 HA 0.95 0.001 1.00 0.27
PRO21 HA 1.00 0.003 1.00 0.60
PRO21 HB2 1.00 0.065 0.00 0.00
PRO21 HB3 1.00 0.011 1.00 2.08
PRO21 HG2 1.00 0.021 1.00 31.34
PRO21 HG3 1.00 0.064 0.00 0.00
PRO21 HD2 1.00 0.002 1.00 1.66

Detailed Probabilities of PRO(21)-CD:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN20 1.00 1.00
PRO21 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
N20HB2 0.98
N20HA 1.00
N20H 1.00
N20HB3 0.98
P21HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG2 1.00
P21HG3 1.00
P21HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN20 HA 1.00 0.001 1.00 1.81
ASN20 HB2 0.98 0.000 1.00 0.10
ASN20 HB3 0.99 0.006 1.00 0.16
ASN20 H 0.99 0.004 1.00 0.05
PRO21 HA 1.00 0.001 1.00 0.17
PRO21 HB2 1.00 0.003 1.00 1.30
PRO21 HB3 1.00 0.001 1.00 0.30
PRO21 HG2 1.00 0.003 1.00 1.16
PRO21 HG3 1.00 0.004 1.00 1.30
PRO21 HD2 1.00 0.004 1.00 8.06

Detailed Probabilities of PRO(21)-HA:

Overall probability: 0.880
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN20 0.50 1.00
PRO21 1.00 1.00
ASN22 0.90 1.00

Expected NOESY Contacts
Proton Expected probability
N20HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG2 1.00
P21HG3 1.00
P21HD2 1.00
P21HA 1.00
N22H 1.00
N22HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN20 HA 1.00 0.053 0.00 0.00
ASN20 H 0.76 0.006 1.00 -134878.00
PRO21 HA 1.00 0.001 1.00 22.35
PRO21 HB2 1.00 0.002 1.00 1.52
PRO21 HB3 1.00 0.001 1.00 2.53
PRO21 HG2 1.00 0.003 1.00 0.60
PRO21 HG3 1.00 0.004 1.00 0.47
PRO21 HD2 1.00 0.001 1.00 0.17
ASN22 HA 1.00 0.032 0.80 0.00
ASN22 H 1.00 0.004 1.00 -312189.00

Detailed Probabilities of PRO(21)-HB2:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO21 0.67 1.00
ASN22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P21HA 1.00
P21HB3 1.00
P21HG2 1.00
P21HG3 1.00
P21HD2 1.00
P21HB2 1.00
N22HA 0.98
N22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO21 HA 1.00 0.000 1.00 1.89
PRO21 HB2 1.00 0.000 1.00 17.43
PRO21 HB3 1.00 0.003 1.00 8.06
PRO21 HG2 1.00 0.065 0.00 0.00
PRO21 HG3 1.00 0.466 0.00 0.00
PRO21 HD2 1.00 0.003 1.00 1.30
ASN22 HA 0.98 0.021 1.00 1.00
ASN22 H 1.00 0.007 1.00 -524762.00
ASN22 HB2 0.56 0.003 1.00 0.09

Detailed Probabilities of PRO(21)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO21 1.00 1.00
ASN22 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P21HA 1.00
P21HB2 1.00
P21HG2 1.00
P21HG3 1.00
P21HD2 1.00
P21HB3 1.00
N22H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO21 HA 1.00 0.007 1.00 4.04
PRO21 HB2 1.00 0.002 1.00 6.24
PRO21 HB3 1.00 0.003 1.00 12.02
PRO21 HG2 1.00 0.011 1.00 2.08
PRO21 HG3 1.00 0.004 1.00 1.33
PRO21 HD2 1.00 0.001 1.00 0.30
ASN22 H 1.00 0.005 1.00 -148213.00

Detailed Probabilities of PRO(21)-HG2:

Overall probability: 0.443
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN20 0.10 1.00
PRO21 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
N20HA 0.95
P21HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG3 1.00
P21HD2 1.00
P21HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN20 HA 0.95 0.039 0.10 0.00
PRO21 HA 1.00 0.002 1.00 1.94
PRO21 HB2 1.00 0.086 0.00 0.00
PRO21 HB3 1.00 0.089 0.00 0.00
PRO21 HG2 1.00 0.021 1.00 31.34
PRO21 HG3 1.00 0.380 0.00 0.00
PRO21 HD2 1.00 0.003 1.00 1.16

Detailed Probabilities of PRO(21)-HG3:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO21 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
P21HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG2 1.00
P21HD2 1.00
P21HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO21 HA 1.00 0.001 1.00 1.89
PRO21 HB2 1.00 0.001 1.00 17.43
PRO21 HB3 1.00 0.004 1.00 8.06
PRO21 HG2 1.00 0.064 0.00 0.00
PRO21 HG3 1.00 0.465 0.00 0.00
PRO21 HD2 1.00 0.004 1.00 1.30

Detailed Probabilities of PRO(21)-HD2:

Overall probability: 0.920
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN20 1.00 1.00
PRO21 0.87 1.00

Expected NOESY Contacts
Proton Expected probability
N20HB2 0.98
N20HA 1.00
N20H 1.00
N20HB3 0.98
P21HA 1.00
P21HB2 1.00
P21HB3 1.00
P21HG2 1.00
P21HG3 1.00
P21HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN20 HA 1.00 0.001 1.00 3.00
ASN20 HB2 0.98 0.003 1.00 0.22
ASN20 HB3 0.99 0.010 1.00 0.48
ASN20 H 0.99 0.001 1.00 -282499.00
PRO21 HA 1.00 0.038 0.20 0.00
PRO21 HB2 1.00 0.004 1.00 0.88
PRO21 HB3 1.00 0.001 1.00 0.67
PRO21 HG2 1.00 0.002 1.00 1.66
PRO21 HG3 1.00 0.001 1.00 1.55
PRO21 HD2 1.00 0.004 1.00 8.06