ARECA's report on SER99

Residue probability: 0.686
Residue probability confidence: 0.855

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.820 174.682 1.868 0.000 0.000
CA 60.410 58.750 3.025 0.333 0.857
CB 62.680 63.523 4.288 0.580 0.800
N 115.499 116.135 5.326 1.000 0.909
HA 4.343 4.486 0.430 0.856 0.857
HB 3.996 3.856 0.325 0.600 0.800
H 8.099 8.292 0.600 0.745 0.909
HG NA -- -- 0.000 0.000

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Detailed Probabilities of SER(99)-CA:

Overall probability: 0.333
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU98 0.00 1.00
SER99 0.67 0.75
GLN100 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
E98HA 1.00
S99HB2 1.00
S99H 1.00
S99HG 1.00
S99HA 1.00
Q100HA 1.00
Q100H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU98 HA 1.00 0.158 0.00 0.00
SER99 HA 1.00 0.151 0.00 0.00
SER99 HB2 1.00 0.015 1.00 2.23
SER99 H 1.00 0.010 1.00 1.34
GLN100 HA 1.00 0.184 0.00 0.00
GLN100 H 1.00 0.177 0.00 0.00

Detailed Probabilities of SER(99)-CB:

Overall probability: 0.580
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.67 0.75
GLN100 0.45 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
S99HB3 1.00
S99H 1.00
S99HG 1.00
Q100H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.002 1.00 1.64
SER99 HB2 1.00 0.257 0.00 0.00
SER99 H 1.00 0.007 1.00 0.61
GLN100 H 1.00 0.483 0.00 0.00
GLN100 HA 0.74 0.031 0.90 0.00

Detailed Probabilities of SER(99)-N:

Overall probability: 1.000
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU98 1.00 1.00
SER99 1.00 0.75
GLN100 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E98HB2 1.00
E98HG3 0.97
E98HA 1.00
E98H 1.00
E98HG2 0.97
E98HB3 1.00
S99HA 1.00
S99HB2 1.00
S99HG 1.00
S99H 1.00
Q100H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU98 HA 1.00 0.004 1.00 -1133548.00
GLU98 HB2 1.00 0.003 1.00 -383878.00
GLU98 HB3 1.00 0.007 1.00 -359132.00
GLU98 HG2 0.97 0.003 1.00 -174682.00
GLU98 HG3 0.97 0.000 1.00 -154382.00
GLU98 H 1.00 0.006 1.00 -502796.00
SER99 HA 1.00 0.003 1.00 -1133548.00
SER99 HB2 1.00 0.008 1.00 -890001.00
SER99 H 1.00 0.008 1.00 -5567625.00
GLN100 H 1.00 0.003 1.00 -354496.00
GLN100 HB2 0.57 0.028 1.00 -383878.00

Detailed Probabilities of SER(99)-HA:

Overall probability: 0.856
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU98 1.00 1.00
SER99 0.67 0.75
GLN100 0.85 1.00

Expected NOESY Contacts
Proton Expected probability
E98HA 1.00
S99HB2 1.00
S99H 1.00
S99HG 1.00
S99HA 1.00
Q100HA 1.00
Q100H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU98 HA 1.00 0.006 1.00 10.15
GLU98 HB2 0.70 0.004 1.00 1.86
GLU98 HB3 0.82 0.005 1.00 2.30
GLU98 H 0.86 0.007 1.00 -594495.00
SER99 HA 1.00 0.151 0.00 0.00
SER99 HB2 1.00 0.002 1.00 1.64
SER99 H 1.00 0.003 1.00 -1133548.00
GLN100 HA 1.00 0.033 0.70 0.00
GLN100 H 1.00 0.018 1.00 -314006.00

Detailed Probabilities of SER(99)-HB2:

Overall probability: 0.600
Overall confidence: 0.800

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER99 0.67 0.75
GLN100 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
S99HA 1.00
S99HB3 1.00
S99H 1.00
S99HG 1.00
Q100H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER99 HA 1.00 0.015 1.00 2.23
SER99 HB2 1.00 0.257 0.00 0.00
SER99 H 1.00 0.008 1.00 -890001.00
GLN100 H 1.00 0.198 0.00 0.00
GLN100 HA 0.74 0.011 1.00 0.06

Detailed Probabilities of SER(99)-H:

Overall probability: 0.745
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU98 0.53 1.00
SER99 1.00 0.75
GLN100 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E98HB2 1.00
E98HG3 0.97
E98HA 1.00
E98H 1.00
E98HG2 0.97
E98HB3 1.00
S99HA 1.00
S99HB2 1.00
S99HG 1.00
S99H 1.00
Q100H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU98 HA 1.00 0.160 0.00 0.00
GLU98 HB2 1.00 0.067 0.00 0.00
GLU98 HB3 1.00 0.003 1.00 1.37
GLU98 HG2 0.97 0.020 1.00 0.13
GLU98 HG3 0.97 0.038 0.20 0.00
GLU98 H 1.00 0.009 1.00 -355639.00
SER99 HA 1.00 0.010 1.00 1.34
SER99 HB2 1.00 0.007 1.00 0.61
SER99 H 1.00 0.008 1.00 -5567625.00
GLN100 H 1.00 0.016 1.00 -336011.00
GLN100 HA 0.82 0.012 1.00 0.42