ARECA's report on ALA113

Residue probability: 0.903
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
CA 55.382 53.289 3.425 0.750 1.000
CB 18.602 19.355 4.103 1.000 1.000
N 120.316 123.100 4.487 1.000 1.000
HA 3.800 4.254 0.459 0.667 1.000
HB 1.410 1.346 0.258 1.000 1.000
H 8.118 8.206 0.601 1.000 1.000

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Detailed Probabilities of ALA(113)-CA:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.67 1.00
ALA113 1.00 1.00
LEU114 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
A113H 1.00
A113HB1 1.00
A113HA 1.00
L114H 1.00
L114HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.197 0.00 0.00
GLU112 HB2 0.70 0.013 1.00 0.02
GLU112 HB3 0.83 0.014 1.00 0.02
ALA113 HA 1.00 0.000 1.00 0.65
ALA113 HB1 1.00 0.000 1.00 0.21
ALA113 H 1.00 0.000 1.00 0.07
LEU114 HA 1.00 0.087 0.00 0.00
LEU114 H 1.00 0.000 1.00 0.01

Detailed Probabilities of ALA(113)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA113 1.00 1.00
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A113HA 1.00
A113H 1.00
A113HB2 1.00
L114H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA113 HA 1.00 0.000 1.00 0.31
ALA113 HB1 1.00 0.000 1.00 6.40
ALA113 H 1.00 0.000 1.00 0.32
LEU114 H 1.00 0.000 1.00 0.16
LEU114 HA 0.71 0.002 1.00 0.02

Detailed Probabilities of ALA(113)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 1.00 1.00
ALA113 1.00 1.00
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HB2 1.00
E112HG3 0.97
E112HA 1.00
E112H 1.00
E112HG2 0.98
E112HB3 1.00
A113HA 1.00
A113HB1 1.00
A113H 1.00
L114H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.000 1.00 -2845.00
GLU112 HB2 1.00 0.000 1.00 -10330.00
GLU112 HB3 1.00 0.000 1.00 -10330.00
GLU112 HG2 0.98 0.000 1.00 -739.00
GLU112 HG3 0.97 0.000 1.00 -739.00
GLU112 H 1.00 0.000 1.00 -9650.00
ALA113 HA 1.00 0.000 1.00 -6680.00
ALA113 HB1 1.00 0.000 1.00 -20520.00
ALA113 H 1.00 0.000 1.00 -109100.00
LEU114 H 1.00 0.000 1.00 -5855.00
LEU114 HA 0.92 0.000 1.00 -2954.00
LEU114 HB2 0.71 0.005 1.00 -1698.00

Detailed Probabilities of ALA(113)-HA:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 0.00 1.00
ALA113 1.00 1.00
LEU114 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E112HA 1.00
A113H 1.00
A113HB1 1.00
A113HA 1.00
L114H 1.00
L114HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.197 0.00 0.00
ALA113 HA 1.00 0.000 1.00 0.65
ALA113 HB1 1.00 0.000 1.00 0.31
ALA113 H 1.00 0.000 1.00 -6680.00
LEU114 HA 1.00 0.087 0.00 0.00
LEU114 H 1.00 0.000 1.00 -1442.00

Detailed Probabilities of ALA(113)-HB1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ALA113 1.00 1.00
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
A113HA 1.00
A113H 1.00
A113HB2 1.00
L114H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ALA113 HA 1.00 0.000 1.00 0.21
ALA113 HB1 1.00 0.000 1.00 6.40
ALA113 H 1.00 0.000 1.00 -20520.00
LEU114 H 1.00 0.000 1.00 -14360.00
LEU114 HA 0.71 0.013 1.00 0.08

Detailed Probabilities of ALA(113)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU112 1.00 1.00
ALA113 1.00 1.00
LEU114 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E112HB2 1.00
E112HG3 0.97
E112HA 1.00
E112H 1.00
E112HG2 0.98
E112HB3 1.00
A113HA 1.00
A113HB1 1.00
A113H 1.00
L114H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU112 HA 1.00 0.000 1.00 0.05
GLU112 HB2 1.00 0.000 1.00 0.20
GLU112 HB3 1.00 0.000 1.00 0.20
GLU112 HG2 0.98 0.000 1.00 0.09
GLU112 HG3 0.97 0.000 1.00 0.09
GLU112 H 1.00 0.000 1.00 -7226.00
ALA113 HA 1.00 0.000 1.00 0.07
ALA113 HB1 1.00 0.000 1.00 0.32
ALA113 H 1.00 0.000 1.00 -109100.00
LEU114 H 1.00 0.000 1.00 -6273.00
LEU114 HA 0.92 0.003 1.00 0.03