ARECA's report on GLU112

Residue probability: 0.629
Residue probability confidence: 0.925

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.430 176.942 2.547 0.000 0.000
CA 58.749 57.442 3.837 0.400 1.000
CB 29.194 30.185 4.018 0.888 0.875
CG 36.010 36.085 1.533 0.586 0.875
N 121.400 120.574 4.837 0.360 1.000
HA 3.997 4.245 0.429 0.378 1.000
HB2 2.084 2.021 0.233 0.875 0.875
HB3 2.083 1.994 0.244 0.875 0.875
HG2 2.337 2.258 0.226 0.571 0.875
HG3 2.338 2.233 0.232 0.571 0.875
H 8.234 8.332 0.601 0.786 1.000
HE2 NA -- -- 0.000 0.000

[Back]

Detailed Probabilities of GLU(112)-CA:

Overall probability: 0.400
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 0.50 1.00
GLU112 0.33 1.00
ALA113 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
E112HA 1.00
A113HA 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.054 0.00 0.00
GLU111 HB2 0.69 0.021 1.00 5.05
GLU112 HA 1.00 0.045 0.00 0.00
GLU112 HB2 1.00 0.006 1.00 5.05
GLU112 HB3 1.00 0.005 1.00 5.05
GLU112 HG2 1.00 0.259 0.00 0.00
GLU112 HG3 1.00 0.260 0.00 0.00
GLU112 H 1.00 0.045 0.00 0.00
ALA113 HA 1.00 0.242 0.00 0.00
ALA113 H 1.00 0.026 1.00 1.04

Detailed Probabilities of GLU(112)-CB:

Overall probability: 0.888
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.85 0.86
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
E112HB3 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
E112HE2 1.00
E112HB2 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.039 0.10 0.00
GLU112 HB2 1.00 0.009 1.00 35.26
GLU112 HB3 1.00 0.010 1.00 35.26
GLU112 HG2 1.00 0.002 1.00 4.32
GLU112 HG3 1.00 0.003 1.00 4.32
GLU112 H 1.00 0.007 1.00 1.46
ALA113 H 1.00 0.015 1.00 1.50
ALA113 HA 0.83 0.000 1.00 0.19

Detailed Probabilities of GLU(112)-CG:

Overall probability: 0.586
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.52 0.86
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG3 1.00
E112H 1.00
E112HE2 1.00
E112HG2 1.00
A113H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.039 0.10 0.00
GLU112 HB2 1.00 0.004 1.00 8.87
GLU112 HB3 1.00 0.003 1.00 8.87
GLU112 HG2 1.00 0.381 0.00 0.00
GLU112 HG3 1.00 0.380 0.00 0.00
GLU112 H 1.00 0.005 1.00 1.06
ALA113 H 0.97 0.021 1.00 0.69

Detailed Probabilities of GLU(112)-N:

Overall probability: 0.360
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 0.17 1.00
GLU112 0.50 1.00
ALA113 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E111HG2 0.98
E111HA 1.00
E111H 1.00
E111HB3 1.00
E111HG3 0.97
E111HB2 1.00
E112HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.012 1.00 -1250966.00
GLU111 HB2 1.00 0.252 0.00 0.00
GLU111 HB3 1.00 0.285 0.00 0.00
GLU111 HG2 0.98 0.064 0.02 0.00
GLU111 HG3 0.97 0.082 0.03 0.00
GLU111 H 1.00 0.170 0.00 0.00
GLU112 HA 1.00 0.003 1.00 -1250966.00
GLU112 HB2 1.00 0.267 0.00 0.00
GLU112 HB3 1.00 0.268 0.00 0.00
GLU112 HG2 1.00 0.014 1.00 -594594.00
GLU112 HG3 1.00 0.013 1.00 -594594.00
GLU112 H 1.00 0.149 0.00 0.00
ALA113 H 1.00 0.265 0.00 0.00
ALA113 HB1 0.52 0.004 1.00 -285643.00

Detailed Probabilities of GLU(112)-HA:

Overall probability: 0.378
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 0.00 1.00
GLU112 0.23 1.00
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
E112HA 1.00
A113HA 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.250 0.00 0.00
GLU112 HA 1.00 0.045 0.00 0.00
GLU112 HB2 1.00 0.039 0.10 0.00
GLU112 HB3 1.00 0.039 0.10 0.00
GLU112 HG2 1.00 0.039 0.10 0.00
GLU112 HG3 1.00 0.039 0.10 0.00
GLU112 H 1.00 0.003 1.00 -1250966.00
ALA113 HA 1.00 0.027 1.00 0.06
ALA113 H 1.00 0.005 1.00 -457960.00

Detailed Probabilities of GLU(112)-HB2:

Overall probability: 0.875
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.83 0.86
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
E112HB3 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
E112HE2 1.00
E112HB2 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.005 1.00 5.05
GLU112 HB2 1.00 0.010 1.00 35.26
GLU112 HB3 1.00 0.010 1.00 35.26
GLU112 HG2 1.00 0.003 1.00 8.87
GLU112 HG3 1.00 0.003 1.00 8.87
GLU112 H 1.00 0.267 0.00 0.00
ALA113 H 1.00 0.028 1.00 -2103946.00
ALA113 HA 0.83 0.017 1.00 0.17

Detailed Probabilities of GLU(112)-HB3:

Overall probability: 0.875
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.83 0.86
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
E112HB2 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
E112HE2 1.00
E112HB3 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.005 1.00 5.05
GLU112 HB2 1.00 0.010 1.00 35.26
GLU112 HB3 1.00 0.010 1.00 35.26
GLU112 HG2 1.00 0.003 1.00 8.87
GLU112 HG3 1.00 0.003 1.00 8.87
GLU112 H 1.00 0.267 0.00 0.00
ALA113 H 1.00 0.028 1.00 -2103946.00
ALA113 HA 0.83 0.017 1.00 0.17

Detailed Probabilities of GLU(112)-HG2:

Overall probability: 0.571
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.50 0.86
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG3 1.00
E112H 1.00
E112HE2 1.00
E112HG2 1.00
A113H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.259 0.00 0.00
GLU112 HB2 1.00 0.003 1.00 4.32
GLU112 HB3 1.00 0.003 1.00 4.32
GLU112 HG2 1.00 0.380 0.00 0.00
GLU112 HG3 1.00 0.381 0.00 0.00
GLU112 H 1.00 0.013 1.00 -594594.00
ALA113 H 0.97 0.017 1.00 -161138.00

Detailed Probabilities of GLU(112)-HG3:

Overall probability: 0.571
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.50 0.86
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG2 1.00
E112H 1.00
E112HE2 1.00
E112HG3 1.00
A113H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.259 0.00 0.00
GLU112 HB2 1.00 0.003 1.00 4.32
GLU112 HB3 1.00 0.003 1.00 4.32
GLU112 HG2 1.00 0.380 0.00 0.00
GLU112 HG3 1.00 0.381 0.00 0.00
GLU112 H 1.00 0.013 1.00 -594594.00
ALA113 H 0.97 0.017 1.00 -161138.00

Detailed Probabilities of GLU(112)-H:

Overall probability: 0.786
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU111 0.80 1.00
GLU112 0.67 1.00
ALA113 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E111HG2 0.98
E111HA 1.00
E111H 1.00
E111HB3 1.00
E111HG3 0.97
E111HB2 1.00
E112HA 1.00
E112HB2 1.00
E112HB3 1.00
E112HG2 1.00
E112HG3 1.00
E112H 1.00
A113H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU111 HA 1.00 0.177 0.00 0.00
GLU111 HB2 1.00 0.007 1.00 1.46
GLU111 HG2 0.98 0.005 1.00 1.06
GLU111 HG3 0.97 0.009 1.00 0.66
GLU111 H 1.00 0.016 1.00 -14779317.00
GLU112 HA 1.00 0.045 0.00 0.00
GLU112 HB2 1.00 0.007 1.00 1.46
GLU112 HB3 1.00 0.007 1.00 1.46
GLU112 HG2 1.00 0.005 1.00 1.06
GLU112 HG3 1.00 0.005 1.00 1.06
GLU112 H 1.00 0.149 0.00 0.00
ALA113 H 1.00 0.003 1.00 -1317750.00
ALA113 HA 0.90 0.001 1.00 0.06
ALA113 HB1 0.52 0.003 1.00 0.23