ARECA's report on GLN100

Residue probability: 0.706
Residue probability confidence: 0.986

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.857 176.405 1.998 0.000 0.000
CA 55.926 56.667 2.318 0.669 1.000
CB 29.212 29.436 2.799 0.800 1.000
CG 34.179 33.781 1.871 0.875 1.000
N 119.301 119.799 3.762 0.627 0.909
NE2 110.232 111.924 2.434 0.857 1.000
HA 4.310 4.265 0.455 0.915 1.000
HB2 2.210 2.047 0.290 0.667 1.000
HB3 2.048 2.012 0.313 0.556 1.000
HG2 2.441 2.308 0.289 0.625 1.000
HG3 2.351 2.284 0.313 0.625 1.000
H 7.623 8.232 0.711 0.660 0.909
HE21 7.286 7.217 0.496 0.714 1.000
HE22 6.755 7.041 0.463 0.583 1.000

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Detailed Probabilities of GLN(100)-CA:

Overall probability: 0.669
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.90 1.00
GLN100 0.43 1.00
GLY101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
Q100HA 1.00
G101H 1.00
G101HA2 1.00
G101HA3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.033 0.70 0.00
SER99 HB2 0.63 0.011 1.00 0.06
SER99 H 0.82 0.012 1.00 0.42
GLN100 HA 1.00 0.000 1.00 21.81
GLN100 HB2 1.00 0.859 0.00 0.00
GLN100 HB3 1.00 1.021 0.00 0.00
GLN100 HG2 1.00 0.628 0.00 0.00
GLN100 HG3 1.00 0.718 0.00 0.00
GLN100 H 1.00 0.002 1.00 0.34
GLN100 HE21 0.94 0.007 1.00 0.07
GLY101 HA2 1.00 0.005 1.00 0.06
GLY101 HA3 1.00 0.002 1.00 0.06
GLY101 H 1.00 0.001 1.00 0.29

Detailed Probabilities of GLN(100)-CB:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.78 1.00
GLY101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HA 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
Q100HE21 1.00
Q100HE22 1.00
Q100HB2 1.00
G101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HA 1.00 0.029 1.00 1.86
GLN100 HB2 1.00 0.028 1.00 19.33
GLN100 HB3 1.00 0.008 1.00 12.14
GLN100 HG2 1.00 0.028 1.00 2.85
GLN100 HG3 1.00 0.001 1.00 1.77
GLN100 H 1.00 0.009 1.00 0.92
GLN100 HE21 1.00 0.302 0.00 0.00
GLN100 HE22 1.00 0.038 0.20 0.00
GLY101 H 1.00 0.004 1.00 0.09

Detailed Probabilities of GLN(100)-CG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.88 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG3 1.00
Q100H 1.00
Q100HE21 1.00
Q100HE22 1.00
Q100HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HA 1.00 0.005 1.00 0.60
GLN100 HB2 1.00 0.020 1.00 4.31
GLN100 HB3 1.00 0.008 1.00 2.35
GLN100 HG2 1.00 0.025 1.00 103.18
GLN100 HG3 1.00 0.065 0.00 0.00
GLN100 H 1.00 0.010 1.00 0.76
GLN100 HE21 1.00 0.005 1.00 0.17
GLN100 HE22 1.00 0.006 1.00 0.11

Detailed Probabilities of GLN(100)-N:

Overall probability: 0.627
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.67 0.75
GLN100 0.65 1.00
GLY101 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
S99HB2 1.00
S99HG 0.96
S99H 1.00
Q100HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
G101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.018 1.00 -314006.00
SER99 HB2 1.00 0.198 0.00 0.00
SER99 H 1.00 0.016 1.00 -336011.00
GLN100 HA 1.00 0.015 1.00 -314006.00
GLN100 HB2 1.00 0.139 0.00 0.00
GLN100 HB3 1.00 0.007 1.00 -400677.00
GLN100 HG2 1.00 0.092 0.00 0.00
GLN100 HG3 1.00 0.002 1.00 -176011.00
GLN100 H 1.00 0.031 0.90 0.00
GLY101 H 1.00 0.061 0.00 0.00
GLY101 HA2 0.73 0.010 1.00 -298211.00

Detailed Probabilities of GLN(100)-NE2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100HE22 1.00
Q100HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HB2 1.00 0.014 1.00 -87167.00
GLN100 HB3 1.00 0.176 0.00 0.00
GLN100 HG2 1.00 0.003 1.00 -226629.00
GLN100 HG3 1.00 0.001 1.00 -204096.00
GLN100 HE21 1.00 0.003 1.00 -17246640.00
GLN100 HE22 1.00 0.003 1.00 -10993139.00
GLN100 HA 0.94 0.014 1.00 -83677.00

Detailed Probabilities of GLN(100)-HA:

Overall probability: 0.915
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.63 1.00
GLN100 1.00 1.00
GLY101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
Q100HA 1.00
G101H 1.00
G101HA2 1.00
G101HA3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.184 0.00 0.00
SER99 HB2 0.63 0.031 0.90 0.00
SER99 H 0.82 0.030 1.00 0.00
GLN100 HA 1.00 0.000 1.00 21.81
GLN100 HB2 1.00 0.029 1.00 1.86
GLN100 HB3 1.00 0.023 1.00 0.59
GLN100 HG2 1.00 0.005 1.00 0.60
GLN100 HG3 1.00 0.001 1.00 0.65
GLN100 H 1.00 0.015 1.00 -314006.00
GLN100 HE21 0.94 0.014 1.00 -83677.00
GLY101 HA2 1.00 0.002 1.00 0.15
GLY101 HA3 1.00 0.024 1.00 0.09
GLY101 H 1.00 0.014 1.00 -719690.00

Detailed Probabilities of GLN(100)-HB2:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.63 1.00
GLY101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HA 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
Q100HE21 1.00
Q100HE22 1.00
Q100HB2 1.00
G101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HA 1.00 0.859 0.00 0.00
GLN100 HB2 1.00 0.028 1.00 19.33
GLN100 HB3 1.00 0.028 1.00 14.03
GLN100 HG2 1.00 0.020 1.00 4.31
GLN100 HG3 1.00 0.030 1.00 0.00
GLN100 H 1.00 0.139 0.00 0.00
GLN100 HE21 1.00 0.014 1.00 -87167.00
GLN100 HE22 1.00 0.137 0.00 0.00
GLY101 H 1.00 0.009 1.00 -78768.00

Detailed Probabilities of GLN(100)-HB3:

Overall probability: 0.556
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.50 1.00
GLY101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HA 1.00
Q100HB2 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
Q100HE21 1.00
Q100HE22 1.00
Q100HB3 1.00
G101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HA 1.00 1.021 0.00 0.00
GLN100 HB2 1.00 0.008 1.00 12.14
GLN100 HB3 1.00 0.007 1.00 52.03
GLN100 HG2 1.00 0.008 1.00 2.35
GLN100 HG3 1.00 0.192 0.00 0.00
GLN100 H 1.00 0.007 1.00 -400677.00
GLN100 HE21 1.00 0.176 0.00 0.00
GLN100 HE22 1.00 0.299 0.00 0.00
GLY101 H 1.00 0.005 1.00 -116122.00

Detailed Probabilities of GLN(100)-HG2:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.63 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG3 1.00
Q100H 1.00
Q100HE21 1.00
Q100HE22 1.00
Q100HG2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HA 1.00 0.628 0.00 0.00
GLN100 HB2 1.00 0.028 1.00 2.85
GLN100 HB3 1.00 0.106 0.00 0.00
GLN100 HG2 1.00 0.025 1.00 103.18
GLN100 HG3 1.00 0.001 1.00 4.45
GLN100 H 1.00 0.092 0.00 0.00
GLN100 HE21 1.00 0.003 1.00 -226629.00
GLN100 HE22 1.00 0.004 1.00 -185646.00

Detailed Probabilities of GLN(100)-HG3:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.63 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100H 1.00
Q100HE21 1.00
Q100HE22 1.00
Q100HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HA 1.00 0.718 0.00 0.00
GLN100 HB2 1.00 0.001 1.00 1.77
GLN100 HB3 1.00 0.016 1.00 4.32
GLN100 HG2 1.00 0.065 0.00 0.00
GLN100 HG3 1.00 0.089 0.00 0.00
GLN100 H 1.00 0.002 1.00 -176011.00
GLN100 HE21 1.00 0.001 1.00 -204096.00
GLN100 HE22 1.00 0.004 1.00 -167488.00

Detailed Probabilities of GLN(100)-H:

Overall probability: 0.660
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.33 0.75
GLN100 0.77 1.00
GLY101 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
S99HB2 1.00
S99HG 0.96
S99H 1.00
Q100HA 1.00
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100H 1.00
G101H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.177 0.00 0.00
SER99 HB2 1.00 0.483 0.00 0.00
SER99 H 1.00 0.003 1.00 -354496.00
GLN100 HA 1.00 0.002 1.00 0.34
GLN100 HB2 1.00 0.009 1.00 0.92
GLN100 HB3 1.00 0.033 0.70 0.00
GLN100 HG2 1.00 0.010 1.00 0.76
GLN100 HG3 1.00 0.334 0.00 0.00
GLN100 H 1.00 0.031 0.90 0.00
GLY101 H 1.00 0.010 1.00 -1129537.00

Detailed Probabilities of GLN(100)-HE21:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100HE22 1.00
Q100HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HB2 1.00 0.302 0.00 0.00
GLN100 HB3 1.00 0.098 0.00 0.00
GLN100 HG2 1.00 0.005 1.00 0.17
GLN100 HG3 1.00 0.003 1.00 0.16
GLN100 HE21 1.00 0.003 1.00 -17246640.00
GLN100 HE22 1.00 0.002 1.00 -12661910.00
GLN100 HA 0.94 0.007 1.00 0.07

Detailed Probabilities of GLN(100)-HE22:

Overall probability: 0.583
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN100 0.58 1.00

Expected NOESY Contacts
Proton Expected probability
Q100HB2 1.00
Q100HB3 1.00
Q100HG2 1.00
Q100HG3 1.00
Q100HE21 1.00
Q100HE22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN100 HB2 1.00 0.038 0.20 0.00
GLN100 HB3 1.00 0.037 0.30 0.00
GLN100 HG2 1.00 0.006 1.00 0.11
GLN100 HG3 1.00 0.000 1.00 0.14
GLN100 HE21 1.00 0.003 1.00 -10993139.00
GLN100 HE22 1.00 0.130 0.00 0.00