ARECA's report on GLY100

Residue probability: 0.873
Residue probability confidence: 0.956

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.598 173.872 2.493 0.000 0.000
CA 45.838 45.581 4.381 0.875 1.000
N 109.375 109.752 5.331 0.875 0.889
HA2 3.702 3.967 0.380 0.863 1.000
HA3 3.997 3.897 0.390 1.000 1.000
H 7.205 8.343 0.939 0.750 0.889

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Detailed Probabilities of GLY(100)-CA:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.67 1.00
GLY100 1.00 1.00
LEU101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
G100HA3 1.00
G100H 1.00
G100HA2 1.00
L101HA 1.00
L101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.102 0.00 0.00
SER99 HB2 0.56 0.017 1.00 3.86
SER99 H 0.68 0.007 1.00 0.07
GLY100 HA2 1.00 0.002 1.00 4.20
GLY100 HA3 1.00 0.005 1.00 3.86
GLY100 H 1.00 0.001 1.00 0.81
LEU101 HA 1.00 0.007 1.00 0.06
LEU101 H 1.00 0.002 1.00 0.31

Detailed Probabilities of GLY(100)-N:

Overall probability: 0.875
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.75 0.80
GLY100 1.00 1.00
LEU101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HG 0.96
S99HB3 1.00
S99HB2 1.00
S99HA 1.00
S99H 1.00
G100HA2 1.00
G100HA3 1.00
G100H 1.00
L101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.012 1.00 -258524.00
SER99 HB2 1.00 0.019 1.00 -1024116.00
SER99 HB3 1.00 0.083 0.00 0.00
SER99 H 1.00 0.005 1.00 -681352.00
GLY100 HA2 1.00 0.001 1.00 -1340193.00
GLY100 HA3 1.00 0.003 1.00 -1024116.00
GLY100 H 1.00 0.017 1.00 -13554855.00
LEU101 H 1.00 0.006 1.00 -788543.00

Detailed Probabilities of GLY(100)-HA2:

Overall probability: 0.863
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 1.00 1.00
GLY100 0.67 1.00
LEU101 0.95 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
G100HA3 1.00
G100H 1.00
G100HA2 1.00
L101HA 1.00
L101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.010 1.00 0.17
SER99 HB2 0.56 0.012 1.00 0.12
SER99 H 0.68 0.011 1.00 -189953.00
GLY100 HA2 1.00 0.002 1.00 4.20
GLY100 HA3 1.00 0.138 0.00 0.00
GLY100 H 1.00 0.001 1.00 -1340193.00
LEU101 HA 1.00 0.031 0.90 0.00
LEU101 H 1.00 0.000 1.00 -370093.00

Detailed Probabilities of GLY(100)-HA3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 1.00 1.00
GLY100 1.00 1.00
LEU101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
G100HA2 1.00
G100H 1.00
G100HA3 1.00
L101HA 1.00
L101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.020 1.00 1.48
SER99 HB2 0.53 0.022 1.00 1.60
SER99 H 0.71 0.021 1.00 -1424217.00
GLY100 HA2 1.00 0.005 1.00 3.86
GLY100 HA3 1.00 0.003 1.00 4.77
GLY100 H 1.00 0.003 1.00 -1024116.00
LEU101 HA 1.00 0.017 1.00 0.08
LEU101 H 1.00 0.009 1.00 -448376.00
LEU101 HG 0.53 0.007 1.00 0.11

Detailed Probabilities of GLY(100)-H:

Overall probability: 0.750
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.50 0.80
GLY100 1.00 1.00
LEU101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HG 0.96
S99HB3 1.00
S99HB2 1.00
S99HA 1.00
S99H 1.00
G100HA2 1.00
G100HA3 1.00
G100H 1.00
L101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.000 1.00 0.23
SER99 HB2 1.00 0.096 0.00 0.00
SER99 HB3 1.00 0.106 0.00 0.00
SER99 H 1.00 0.002 1.00 -828720.00
GLY100 HA2 1.00 0.001 1.00 0.81
GLY100 HA3 1.00 0.000 1.00 0.77
GLY100 H 1.00 0.017 1.00 -13554855.00
LEU101 H 1.00 0.001 1.00 -602217.00