ARECA's report on GLN54

Residue probability: 0.818
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.709 176.405 1.998 0.000 0.000
CA 58.530 56.667 2.318 0.667 1.000
CB 28.314 29.436 2.799 0.600 1.000
CG 33.720 33.781 1.871 0.889 1.000
N 116.358 119.799 3.762 1.000 1.000
NE2 110.197 111.924 2.434 1.000 1.000
HA 4.001 4.265 0.455 0.917 1.000
HB2 2.076 2.047 0.290 0.778 1.000
HB3 2.077 2.012 0.313 0.778 1.000
HG2 2.539 2.308 0.289 1.000 1.000
HG3 2.638 2.284 0.313 1.000 1.000
H 7.495 8.232 0.711 1.000 1.000
HE21 7.422 7.217 0.496 0.333 1.000
HE22 6.871 7.041 0.463 0.667 1.000

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Detailed Probabilities of GLN(54)-CA:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG53 0.00 1.00
GLN54 0.83 1.00
LEU55 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
R53HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
Q54HA 1.00
L55H 1.00
L55HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG53 HA 1.00 0.136 0.00 0.00
GLN54 HA 1.00 0.337 0.00 0.00
GLN54 HB2 1.00 0.012 1.00 2.76
GLN54 HB3 1.00 0.013 1.00 2.76
GLN54 HG2 1.00 0.006 1.00 0.69
GLN54 HG3 1.00 0.004 1.00 0.44
GLN54 H 1.00 0.003 1.00 0.73
LEU55 HA 1.00 0.362 0.00 0.00
LEU55 H 1.00 0.002 1.00 0.30

Detailed Probabilities of GLN(54)-CB:

Overall probability: 0.600
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.50 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
Q54HE21 1.00
Q54HE22 1.00
Q54HB2 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.002 1.00 1.17
GLN54 HB2 1.00 0.472 0.00 0.00
GLN54 HB3 1.00 0.471 0.00 0.00
GLN54 HG2 1.00 0.009 1.00 0.91
GLN54 HG3 1.00 0.000 1.00 0.94
GLN54 H 1.00 0.003 1.00 0.90
GLN54 HE21 1.00 0.076 0.00 0.00
GLN54 HE22 1.00 0.055 0.00 0.00
LEU55 H 1.00 0.006 1.00 0.41
LEU55 HA 0.87 0.027 1.00 1.17

Detailed Probabilities of GLN(54)-CG:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.88 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG3 1.00
Q54H 1.00
Q54HE21 1.00
Q54HE22 1.00
Q54HG2 1.00
L55H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.002 1.00 0.82
GLN54 HB2 1.00 0.004 1.00 1.90
GLN54 HB3 1.00 0.005 1.00 1.90
GLN54 HG2 1.00 0.005 1.00 12.43
GLN54 HG3 1.00 0.000 1.00 9.00
GLN54 H 1.00 0.002 1.00 0.73
GLN54 HE21 1.00 0.071 0.00 0.00
GLN54 HE22 1.00 0.000 1.00 0.11
LEU55 H 0.98 0.000 1.00 0.13

Detailed Probabilities of GLN(54)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG53 1.00 1.00
GLN54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R53H 1.00
R53HB2 1.00
R53HG2 0.97
R53HG3 0.96
R53HA 1.00
R53HB3 1.00
Q54HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG53 HA 1.00 0.001 1.00 -425060.00
ARG53 HB2 1.00 0.006 1.00 -888687.00
ARG53 HB3 1.00 0.004 1.00 -1096904.00
ARG53 HG2 0.97 0.004 1.00 -163878.00
ARG53 HG3 0.96 0.013 1.00 -1096904.00
ARG53 H 1.00 0.001 1.00 -1071373.00
GLN54 HA 1.00 0.002 1.00 -1374715.00
GLN54 HB2 1.00 0.003 1.00 -3003286.00
GLN54 HB3 1.00 0.004 1.00 -3003286.00
GLN54 HG2 1.00 0.007 1.00 -1247489.00
GLN54 HG3 1.00 0.000 1.00 -1226057.00
GLN54 H 1.00 0.002 1.00 -14186829.00
LEU55 H 1.00 0.005 1.00 -1668657.00
LEU55 HA 0.94 0.027 1.00 -1374715.00

Detailed Probabilities of GLN(54)-NE2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54HE22 1.00
Q54HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HB2 1.00 0.012 1.00 -332928.00
GLN54 HB3 1.00 0.013 1.00 -332928.00
GLN54 HG2 1.00 0.005 1.00 -515743.00
GLN54 HG3 1.00 0.002 1.00 -743910.00
GLN54 HE21 1.00 0.004 1.00 -22583980.00
GLN54 HE22 1.00 0.001 1.00 -14435378.00
GLN54 HA 0.94 0.016 1.00 -147438.00

Detailed Probabilities of GLN(54)-HA:

Overall probability: 0.917
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG53 1.00 1.00
GLN54 0.86 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R53HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
Q54HA 1.00
L55H 1.00
L55HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG53 HA 1.00 0.005 1.00 0.16
ARG53 HB3 0.79 0.000 1.00 0.12
ARG53 H 0.90 0.010 1.00 -125114.00
GLN54 HA 1.00 0.337 0.00 0.00
GLN54 HB2 1.00 0.002 1.00 1.17
GLN54 HB3 1.00 0.002 1.00 1.17
GLN54 HG2 1.00 0.002 1.00 0.82
GLN54 HG3 1.00 0.002 1.00 0.67
GLN54 H 1.00 0.002 1.00 -1374715.00
GLN54 HE21 0.94 0.016 1.00 -147438.00
LEU55 HA 1.00 0.001 1.00 36.36
LEU55 H 1.00 0.018 1.00 -1352144.00

Detailed Probabilities of GLN(54)-HB2:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.75 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
Q54HE21 1.00
Q54HE22 1.00
Q54HB2 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.013 1.00 2.76
GLN54 HB2 1.00 0.471 0.00 0.00
GLN54 HB3 1.00 0.472 0.00 0.00
GLN54 HG2 1.00 0.005 1.00 1.90
GLN54 HG3 1.00 0.003 1.00 1.86
GLN54 H 1.00 0.004 1.00 -3003286.00
GLN54 HE21 1.00 0.013 1.00 -332928.00
GLN54 HE22 1.00 0.013 1.00 -238373.00
LEU55 H 1.00 0.005 1.00 -1308744.00

Detailed Probabilities of GLN(54)-HB3:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.75 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
Q54HB2 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
Q54HE21 1.00
Q54HE22 1.00
Q54HB3 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.013 1.00 2.76
GLN54 HB2 1.00 0.471 0.00 0.00
GLN54 HB3 1.00 0.472 0.00 0.00
GLN54 HG2 1.00 0.005 1.00 1.90
GLN54 HG3 1.00 0.003 1.00 1.86
GLN54 H 1.00 0.004 1.00 -3003286.00
GLN54 HE21 1.00 0.013 1.00 -332928.00
GLN54 HE22 1.00 0.013 1.00 -238373.00
LEU55 H 1.00 0.005 1.00 -1308744.00

Detailed Probabilities of GLN(54)-HG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG3 1.00
Q54H 1.00
Q54HE21 1.00
Q54HE22 1.00
Q54HG2 1.00
L55H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.006 1.00 0.69
GLN54 HB2 1.00 0.009 1.00 0.91
GLN54 HB3 1.00 0.009 1.00 0.91
GLN54 HG2 1.00 0.005 1.00 12.43
GLN54 HG3 1.00 0.004 1.00 8.47
GLN54 H 1.00 0.007 1.00 -1247489.00
GLN54 HE21 1.00 0.005 1.00 -515743.00
GLN54 HE22 1.00 0.005 1.00 -344080.00
LEU55 H 0.98 0.008 1.00 -204650.00

Detailed Probabilities of GLN(54)-HG3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54H 1.00
Q54HE21 1.00
Q54HE22 1.00
Q54HG3 1.00
L55H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HA 1.00 0.004 1.00 0.44
GLN54 HB2 1.00 0.000 1.00 0.94
GLN54 HB3 1.00 0.000 1.00 0.94
GLN54 HG2 1.00 0.000 1.00 9.00
GLN54 HG3 1.00 0.002 1.00 11.87
GLN54 H 1.00 0.000 1.00 -1226057.00
GLN54 HE21 1.00 0.002 1.00 -743910.00
GLN54 HE22 1.00 0.002 1.00 -436550.00
LEU55 H 0.97 0.002 1.00 -168818.00

Detailed Probabilities of GLN(54)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ARG53 1.00 1.00
GLN54 1.00 1.00
LEU55 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
R53H 1.00
R53HB2 1.00
R53HG2 0.97
R53HG3 0.96
R53HA 1.00
R53HB3 1.00
Q54HA 1.00
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54H 1.00
L55H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ARG53 HA 1.00 0.003 1.00 0.22
ARG53 HB2 1.00 0.004 1.00 0.38
ARG53 HB3 1.00 0.001 1.00 0.39
ARG53 HG2 0.97 0.007 1.00 0.18
ARG53 HG3 0.96 0.000 1.00 0.19
ARG53 H 1.00 0.000 1.00 -1145175.00
ARG53 HD2 0.54 0.004 1.00 0.10
ARG53 HD3 0.58 0.004 1.00 0.10
GLN54 HA 1.00 0.003 1.00 0.73
GLN54 HB2 1.00 0.003 1.00 0.90
GLN54 HB3 1.00 0.003 1.00 0.90
GLN54 HG2 1.00 0.002 1.00 0.73
GLN54 HG3 1.00 0.001 1.00 0.72
GLN54 H 1.00 0.002 1.00 -14186829.00
LEU55 H 1.00 0.001 1.00 -1558464.00

Detailed Probabilities of GLN(54)-HE21:

Overall probability: 0.333
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.33 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54HE22 1.00
Q54HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HB2 1.00 0.076 0.00 0.00
GLN54 HB3 1.00 0.076 0.00 0.00
GLN54 HG2 1.00 0.071 0.00 0.00
GLN54 HG3 1.00 0.074 0.00 0.00
GLN54 HE21 1.00 0.004 1.00 -22583980.00
GLN54 HE22 1.00 0.004 1.00 -16100147.00

Detailed Probabilities of GLN(54)-HE22:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN54 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
Q54HB2 1.00
Q54HB3 1.00
Q54HG2 1.00
Q54HG3 1.00
Q54HE21 1.00
Q54HE22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN54 HB2 1.00 0.055 0.00 0.00
GLN54 HB3 1.00 0.055 0.00 0.00
GLN54 HG2 1.00 0.000 1.00 0.11
GLN54 HG3 1.00 0.004 1.00 0.11
GLN54 HE21 1.00 0.001 1.00 -14435378.00
GLN54 HE22 1.00 0.001 1.00 -22984860.00