ARECA's report on GLN85

Residue probability: 0.916
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.431 176.405 1.998 0.000 0.000
CA 56.595 56.667 2.318 0.778 1.000
CB 29.334 29.436 2.799 0.900 1.000
CG 33.720 33.781 1.871 1.000 1.000
N 120.202 119.799 3.762 1.000 1.000
NE2 112.150 111.924 2.434 1.000 1.000
HA 4.334 4.265 0.455 0.778 1.000
HB2 2.173 2.047 0.290 0.889 1.000
HB3 2.040 2.012 0.313 0.900 1.000
HG2 2.407 2.308 0.289 1.000 1.000
HG3 2.405 2.284 0.313 1.000 1.000
H 8.617 8.232 0.711 1.000 1.000
HE21 7.624 7.217 0.496 1.000 1.000
HE22 6.895 7.041 0.463 0.667 1.000

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Detailed Probabilities of GLN(85)-CA:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP84 0.00 1.00
GLN85 1.00 1.00
ASP86 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
D84HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
Q85HA 1.00
D86H 1.00
D86HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP84 HA 1.00 0.168 0.00 0.00
GLN85 HA 1.00 0.000 1.00 2.99
GLN85 HB2 1.00 0.000 1.00 0.21
GLN85 HB3 1.00 0.000 1.00 0.18
GLN85 HG2 1.00 0.000 1.00 0.11
GLN85 HG3 1.00 0.000 1.00 0.11
GLN85 H 1.00 0.000 1.00 0.10
ASP86 HA 1.00 0.351 0.00 0.00
ASP86 H 1.00 0.000 1.00 0.10

Detailed Probabilities of GLN(85)-CB:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.88 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
Q85HB2 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
Q85HE21 1.00
Q85HE22 1.00
Q85HB3 1.00
D86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.000 1.00 0.35
GLN85 HB2 1.00 0.000 1.00 2.31
GLN85 HB3 1.00 0.000 1.00 9.64
GLN85 HG2 1.00 0.000 1.00 0.64
GLN85 HG3 1.00 0.000 1.00 0.64
GLN85 H 1.00 0.000 1.00 0.21
GLN85 HE21 1.00 0.001 1.00 0.09
GLN85 HE22 1.00 0.077 0.00 0.00
ASP86 H 1.00 0.000 1.00 0.15
ASP86 HB2 0.55 0.014 1.00 0.11

Detailed Probabilities of GLN(85)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 1.00 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG3 1.00
Q85H 1.00
Q85HE21 1.00
Q85HE22 1.00
Q85HG2 1.00
D86H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.000 1.00 0.12
GLN85 HB2 1.00 0.000 1.00 0.71
GLN85 HB3 1.00 0.000 1.00 0.40
GLN85 HG2 1.00 0.000 1.00 15.52
GLN85 HG3 1.00 0.000 1.00 15.52
GLN85 H 1.00 0.000 1.00 0.10
GLN85 HE21 1.00 0.000 1.00 0.12
GLN85 HE22 1.00 0.000 1.00 0.06
ASP86 H 0.98 0.000 1.00 0.04

Detailed Probabilities of GLN(85)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP84 1.00 1.00
GLN85 1.00 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D84HA 1.00
D84H 1.00
D84HB2 1.00
D84HB3 1.00
Q85HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
D86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP84 HA 1.00 0.000 1.00 -13250.00
ASP84 HB2 1.00 0.000 1.00 -1408.00
ASP84 HB3 1.00 0.000 1.00 -1213.00
ASP84 H 1.00 0.000 1.00 -651.00
GLN85 HA 1.00 0.000 1.00 -4505.00
GLN85 HB2 1.00 0.000 1.00 -3919.00
GLN85 HB3 1.00 0.000 1.00 -6771.00
GLN85 HG2 1.00 0.000 1.00 -4050.00
GLN85 HG3 1.00 0.000 1.00 -4050.00
GLN85 H 1.00 0.000 1.00 -43660.00
ASP86 H 1.00 0.000 1.00 -6313.00

Detailed Probabilities of GLN(85)-NE2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85HE22 1.00
Q85HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HB2 1.00 0.000 1.00 -471.00
GLN85 HB3 1.00 0.000 1.00 -283.00
GLN85 HG2 1.00 0.000 1.00 -7180.00
GLN85 HG3 1.00 0.000 1.00 -7180.00
GLN85 HE21 1.00 0.000 1.00 -260600.00
GLN85 HE22 1.00 0.000 1.00 -111700.00

Detailed Probabilities of GLN(85)-HA:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP84 0.00 1.00
GLN85 1.00 1.00
ASP86 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
D84HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
Q85HA 1.00
D86H 1.00
D86HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP84 HA 1.00 0.165 0.00 0.00
GLN85 HA 1.00 0.000 1.00 2.99
GLN85 HB2 1.00 0.000 1.00 0.29
GLN85 HB3 1.00 0.000 1.00 0.35
GLN85 HG2 1.00 0.000 1.00 0.12
GLN85 HG3 1.00 0.000 1.00 0.12
GLN85 H 1.00 0.000 1.00 -4505.00
ASP86 HA 1.00 0.351 0.00 0.00
ASP86 H 1.00 0.000 1.00 -4995.00

Detailed Probabilities of GLN(85)-HB2:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.88 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
Q85HE21 1.00
Q85HE22 1.00
Q85HB2 1.00
D86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.000 1.00 0.21
GLN85 HB2 1.00 0.000 1.00 3.23
GLN85 HB3 1.00 0.000 1.00 2.31
GLN85 HG2 1.00 0.000 1.00 0.71
GLN85 HG3 1.00 0.000 1.00 0.71
GLN85 H 1.00 0.000 1.00 -3919.00
GLN85 HE21 1.00 0.000 1.00 -471.00
GLN85 HE22 1.00 0.232 0.00 0.00
ASP86 H 1.00 0.000 1.00 -1783.00

Detailed Probabilities of GLN(85)-HB3:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.88 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
Q85HB2 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
Q85HE21 1.00
Q85HE22 1.00
Q85HB3 1.00
D86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.000 1.00 0.18
GLN85 HB2 1.00 0.000 1.00 2.04
GLN85 HB3 1.00 0.000 1.00 9.64
GLN85 HG2 1.00 0.000 1.00 0.40
GLN85 HG3 1.00 0.000 1.00 0.40
GLN85 H 1.00 0.000 1.00 -6771.00
GLN85 HE21 1.00 0.000 1.00 -283.00
GLN85 HE22 1.00 0.365 0.00 0.00
ASP86 H 1.00 0.000 1.00 -3044.00
ASP86 HB2 0.55 0.012 1.00 0.05

Detailed Probabilities of GLN(85)-HG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 1.00 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG3 1.00
Q85H 1.00
Q85HE21 1.00
Q85HE22 1.00
Q85HG2 1.00
D86H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.000 1.00 0.11
GLN85 HB2 1.00 0.000 1.00 0.47
GLN85 HB3 1.00 0.000 1.00 0.64
GLN85 HG2 1.00 0.000 1.00 15.52
GLN85 HG3 1.00 0.000 1.00 15.52
GLN85 H 1.00 0.000 1.00 -4050.00
GLN85 HE21 1.00 0.000 1.00 -7180.00
GLN85 HE22 1.00 0.000 1.00 -2548.00
ASP86 H 0.98 0.000 1.00 -1283.00

Detailed Probabilities of GLN(85)-HG3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 1.00 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85H 1.00
Q85HE21 1.00
Q85HE22 1.00
Q85HG3 1.00
D86H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HA 1.00 0.000 1.00 0.11
GLN85 HB2 1.00 0.000 1.00 0.47
GLN85 HB3 1.00 0.000 1.00 0.64
GLN85 HG2 1.00 0.000 1.00 15.52
GLN85 HG3 1.00 0.000 1.00 15.52
GLN85 H 1.00 0.000 1.00 -4050.00
GLN85 HE21 1.00 0.000 1.00 -7180.00
GLN85 HE22 1.00 0.000 1.00 -2548.00
ASP86 H 0.96 0.000 1.00 -1283.00

Detailed Probabilities of GLN(85)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP84 1.00 1.00
GLN85 1.00 1.00
ASP86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D84HA 1.00
D84H 1.00
D84HB2 1.00
D84HB3 1.00
Q85HA 1.00
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85H 1.00
D86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP84 HA 1.00 0.000 1.00 0.27
ASP84 HB2 1.00 0.000 1.00 0.01
ASP84 HB3 1.00 0.000 1.00 0.01
ASP84 H 1.00 0.023 1.00 -560.00
GLN85 HA 1.00 0.000 1.00 0.10
GLN85 HB2 1.00 0.000 1.00 0.10
GLN85 HB3 1.00 0.000 1.00 0.21
GLN85 HG2 1.00 0.000 1.00 0.10
GLN85 HG3 1.00 0.000 1.00 0.10
GLN85 H 1.00 0.000 1.00 -43660.00
ASP86 H 1.00 0.000 1.00 -6521.00
ASP86 HA 0.86 0.025 1.00 0.39
ASP86 HB2 0.67 0.025 1.00 0.05

Detailed Probabilities of GLN(85)-HE21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85HE22 1.00
Q85HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HB2 1.00 0.003 1.00 0.16
GLN85 HB3 1.00 0.001 1.00 0.09
GLN85 HG2 1.00 0.000 1.00 0.12
GLN85 HG3 1.00 0.000 1.00 0.12
GLN85 HE21 1.00 0.000 1.00 -260600.00
GLN85 HE22 1.00 0.000 1.00 -119500.00

Detailed Probabilities of GLN(85)-HE22:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN85 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
Q85HB2 1.00
Q85HB3 1.00
Q85HG2 1.00
Q85HG3 1.00
Q85HE21 1.00
Q85HE22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN85 HB2 1.00 1.204 0.00 0.00
GLN85 HB3 1.00 0.077 0.00 0.00
GLN85 HG2 1.00 0.000 1.00 0.06
GLN85 HG3 1.00 0.000 1.00 0.06
GLN85 HE21 1.00 0.000 1.00 -111700.00
GLN85 HE22 1.00 0.000 1.00 -317300.00