ARECA's report on GLN122

Residue probability: 0.772
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.893 176.405 1.998 0.000 0.000
CA 58.745 56.667 2.318 0.667 1.000
CB 28.020 29.436 2.799 0.556 1.000
CG 33.526 33.781 1.871 1.000 1.000
N 120.565 119.799 3.762 0.860 1.000
NE2 111.549 111.924 2.434 1.000 1.000
HA 4.135 4.265 0.455 0.750 1.000
HB 2.241 2.047 0.290 0.625 1.000
HG2 2.406 2.308 0.289 0.875 1.000
HG3 2.521 2.284 0.313 0.755 1.000
H 8.054 8.232 0.711 0.773 1.000
HE21 7.466 7.217 0.496 0.800 1.000
HE22 6.831 7.041 0.463 0.600 1.000

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Detailed Probabilities of GLN(122)-CA:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 0.50 1.00
GLN122 1.00 1.00
LYS123 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122H 1.00
Q122HA 1.00
K123HA 1.00
K123H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.115 0.00 0.00
MET121 H 0.89 0.009 1.00 0.12
GLN122 HA 1.00 0.010 1.00 24.81
GLN122 HB2 1.00 0.008 1.00 2.15
GLN122 HG2 1.00 0.006 1.00 0.81
GLN122 HG3 1.00 0.007 1.00 0.35
GLN122 H 1.00 0.008 1.00 1.25
LYS123 HA 1.00 0.120 0.00 0.00
LYS123 H 1.00 0.040 0.00 0.00

Detailed Probabilities of GLN(122)-CB:

Overall probability: 0.556
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 0.43 1.00
LYS123 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HA 1.00
Q122HB3 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122H 1.00
Q122HE21 1.00
Q122HE22 1.00
K123H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HA 1.00 0.010 1.00 1.11
GLN122 HB2 1.00 0.006 1.00 9.16
GLN122 HG2 1.00 0.159 0.00 0.00
GLN122 HG3 1.00 0.274 0.00 0.00
GLN122 H 1.00 0.004 1.00 1.07
GLN122 HE21 1.00 0.592 0.00 0.00
GLN122 HE22 1.00 1.227 0.00 0.00
LYS123 H 1.00 0.010 1.00 0.51
LYS123 HA 0.82 0.006 1.00 0.56

Detailed Probabilities of GLN(122)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 1.00 1.00
LYS123 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HA 1.00
Q122HB2 1.00
Q122HG2 1.00
Q122H 1.00
Q122HE21 1.00
Q122HE22 1.00
Q122HG3 1.00
K123H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HA 1.00 0.008 1.00 0.75
GLN122 HB2 1.00 0.008 1.00 2.01
GLN122 HG2 1.00 0.000 1.00 10.45
GLN122 HG3 1.00 0.003 1.00 28.96
GLN122 H 1.00 0.003 1.00 0.45
GLN122 HE21 1.00 0.002 1.00 0.15
GLN122 HE22 1.00 0.006 1.00 0.14
LYS123 H 0.96 0.004 1.00 0.13

Detailed Probabilities of GLN(122)-N:

Overall probability: 0.860
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 0.67 1.00
GLN122 1.00 1.00
LYS123 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HB3 1.00
M121H 1.00
M121HA 1.00
M121HB2 1.00
M121HG2 0.98
M121HG3 0.97
Q122HA 1.00
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122H 1.00
K123H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.001 1.00 -172528.00
MET121 HB2 1.00 0.043 0.00 0.00
MET121 HB3 1.00 0.005 1.00 -335811.00
MET121 HG2 0.98 0.006 1.00 -202086.00
MET121 HG3 0.97 0.102 0.03 0.00
MET121 H 1.00 0.010 1.00 -572584.00
GLN122 HA 1.00 0.010 1.00 -859418.00
GLN122 HB2 1.00 0.006 1.00 -1820309.00
GLN122 HG2 1.00 0.006 1.00 -423662.00
GLN122 HG3 1.00 0.002 1.00 -351425.00
GLN122 H 1.00 0.004 1.00 -7514558.00
LYS123 H 1.00 0.007 1.00 -820512.00
LYS123 HA 0.87 0.002 1.00 -413103.00
LYS123 HB2 0.56 0.011 1.00 -202086.00

Detailed Probabilities of GLN(122)-NE2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122HE22 1.00
Q122HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HB2 1.00 0.009 1.00 -86167.00
GLN122 HG2 1.00 0.001 1.00 -139457.00
GLN122 HG3 1.00 0.005 1.00 -227687.00
GLN122 HE21 1.00 0.001 1.00 -27659210.00
GLN122 HE22 1.00 0.001 1.00 -14655499.00

Detailed Probabilities of GLN(122)-HA:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 0.00 1.00
GLN122 1.00 1.00
LYS123 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122H 1.00
Q122HA 1.00
K123HA 1.00
K123H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.651 0.00 0.00
GLN122 HA 1.00 0.010 1.00 24.81
GLN122 HB2 1.00 0.010 1.00 1.11
GLN122 HG2 1.00 0.001 1.00 1.02
GLN122 HG3 1.00 0.008 1.00 0.75
GLN122 H 1.00 0.010 1.00 -859418.00
LYS123 HA 1.00 0.093 0.00 0.00
LYS123 H 1.00 0.010 1.00 -702515.00

Detailed Probabilities of GLN(122)-HB2:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 0.71 1.00
LYS123 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HA 1.00
Q122HB3 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122H 1.00
Q122HE21 1.00
Q122HE22 1.00
K123H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HA 1.00 0.008 1.00 2.15
GLN122 HB2 1.00 0.006 1.00 9.16
GLN122 HG2 1.00 0.051 0.00 0.00
GLN122 HG3 1.00 0.008 1.00 2.01
GLN122 H 1.00 0.006 1.00 -1820309.00
GLN122 HE21 1.00 0.009 1.00 -86167.00
GLN122 HE22 1.00 0.170 0.00 0.00
LYS123 H 1.00 0.156 0.00 0.00

Detailed Probabilities of GLN(122)-HG2:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 0.86 1.00
LYS123 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HA 1.00
Q122HB2 1.00
Q122HG3 1.00
Q122H 1.00
Q122HE21 1.00
Q122HE22 1.00
Q122HG2 1.00
K123H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HA 1.00 0.006 1.00 0.81
GLN122 HB2 1.00 0.159 0.00 0.00
GLN122 HG2 1.00 0.010 1.00 103.18
GLN122 HG3 1.00 0.000 1.00 10.45
GLN122 H 1.00 0.006 1.00 -423662.00
GLN122 HE21 1.00 0.001 1.00 -139457.00
GLN122 HE22 1.00 0.005 1.00 -120738.00
LYS123 H 0.98 0.009 1.00 -173082.00

Detailed Probabilities of GLN(122)-HG3:

Overall probability: 0.755
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 0.86 1.00
LYS123 0.04 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HA 1.00
Q122HB2 1.00
Q122HG2 1.00
Q122H 1.00
Q122HE21 1.00
Q122HE22 1.00
Q122HG3 1.00
K123H 0.96


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HA 1.00 0.007 1.00 0.35
GLN122 HB2 1.00 0.274 0.00 0.00
GLN122 HG2 1.00 0.005 1.00 10.18
GLN122 HG3 1.00 0.003 1.00 28.96
GLN122 H 1.00 0.002 1.00 -351425.00
GLN122 HE21 1.00 0.005 1.00 -227687.00
GLN122 HE22 1.00 0.002 1.00 -130588.00
LYS123 H 0.96 0.052 0.04 0.00

Detailed Probabilities of GLN(122)-H:

Overall probability: 0.773
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 0.51 1.00
GLN122 1.00 1.00
LYS123 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HB3 1.00
M121H 1.00
M121HA 1.00
M121HB2 1.00
M121HG2 0.98
M121HG3 0.97
Q122HA 1.00
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122H 1.00
K123H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.225 0.00 0.00
MET121 HB2 1.00 0.001 1.00 0.15
MET121 HB3 1.00 0.004 1.00 0.15
MET121 HG2 0.98 1.456 0.02 0.00
MET121 HG3 0.97 0.269 0.03 0.00
MET121 H 1.00 0.001 1.00 -637644.00
GLN122 HA 1.00 0.008 1.00 1.25
GLN122 HB2 1.00 0.004 1.00 1.07
GLN122 HG2 1.00 0.003 1.00 0.50
GLN122 HG3 1.00 0.003 1.00 0.45
GLN122 H 1.00 0.004 1.00 -7514558.00
LYS123 H 1.00 0.007 1.00 -701537.00
LYS123 HB2 0.56 0.023 1.00 1.13

Detailed Probabilities of GLN(122)-HE21:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122HE22 1.00
Q122HE21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HB2 1.00 0.592 0.00 0.00
GLN122 HG2 1.00 0.014 1.00 0.20
GLN122 HG3 1.00 0.002 1.00 0.15
GLN122 HE21 1.00 0.001 1.00 -27659210.00
GLN122 HE22 1.00 0.001 1.00 -14177617.00

Detailed Probabilities of GLN(122)-HE22:

Overall probability: 0.600
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN122 0.60 1.00

Expected NOESY Contacts
Proton Expected probability
Q122HB2 1.00
Q122HG2 1.00
Q122HG3 1.00
Q122HE21 1.00
Q122HE22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN122 HB2 1.00 1.227 0.00 0.00
GLN122 HG2 1.00 0.065 0.00 0.00
GLN122 HG3 1.00 0.006 1.00 0.14
GLN122 HE21 1.00 0.001 1.00 -14655499.00
GLN122 HE22 1.00 0.001 1.00 -36164948.00