ARECA's report on ASP110

Residue probability: 0.707
Residue probability confidence: 0.893

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.527 176.463 2.348 0.000 0.000
CA 57.388 54.786 4.266 0.429 0.875
CB 40.301 40.949 3.070 0.833 0.833
N 122.852 120.550 5.690 0.918 1.000
HD2 NA -- -- 0.000 0.000
HA 4.095 4.587 0.329 0.571 0.875
HB2 2.416 2.708 0.282 0.400 0.833
HB3 2.681 2.654 0.285 0.800 0.833
H 8.696 8.304 1.027 1.000 1.000

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Detailed Probabilities of ASP(110)-CA:

Overall probability: 0.429
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP109 1.00 1.00
ASP110 0.50 0.80
GLU111 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
D109HA 1.00
D110HD2 1.00
D110HB2 1.00
D110HB3 1.00
D110H 1.00
D110HA 1.00
E111H 1.00
E111HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP109 HA 1.00 0.007 1.00 0.14
ASP110 HA 1.00 0.259 0.00 0.00
ASP110 HB2 1.00 0.259 0.00 0.00
ASP110 HB3 1.00 0.006 1.00 0.57
ASP110 H 1.00 0.003 1.00 0.53
GLU111 HA 1.00 0.366 0.00 0.00
GLU111 H 1.00 0.097 0.00 0.00

Detailed Probabilities of ASP(110)-CB:

Overall probability: 0.833
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 0.75 0.80
GLU111 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110HD2 1.00
D110HA 1.00
D110HB3 1.00
D110H 1.00
D110HB2 1.00
E111H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.000 1.00 0.67
ASP110 HB2 1.00 0.263 0.00 0.00
ASP110 HB3 1.00 0.002 1.00 2.86
ASP110 H 1.00 0.004 1.00 0.41
GLU111 H 1.00 0.006 1.00 0.34
GLU111 HA 0.54 0.006 1.00 0.10

Detailed Probabilities of ASP(110)-N:

Overall probability: 0.918
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP109 0.77 1.00
ASP110 1.00 1.00
GLU111 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D109HB2 1.00
D109H 1.00
D109HA 1.00
D109HB3 1.00
D110HA 1.00
D110HB2 1.00
D110HB3 1.00
D110H 1.00
E111H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP109 HA 1.00 0.005 1.00 -2635928.00
ASP109 HB2 1.00 0.000 1.00 -662804.00
ASP109 HB3 1.00 0.039 0.10 0.00
ASP109 H 1.00 0.001 1.00 -184460.00
ASP110 HA 1.00 0.000 1.00 -960573.00
ASP110 HB2 1.00 0.001 1.00 -621275.00
ASP110 HB3 1.00 0.009 1.00 -1070928.00
ASP110 H 1.00 0.002 1.00 -8648139.00
GLU111 H 1.00 0.005 1.00 -1052631.00
GLU111 HA 0.86 0.002 1.00 -75438.00
GLU111 HB2 0.58 0.001 1.00 -239552.00

Detailed Probabilities of ASP(110)-HA:

Overall probability: 0.571
Overall confidence: 0.875

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP109 1.00 1.00
ASP110 0.75 0.80
GLU111 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
D109HA 1.00
D110HD2 1.00
D110HB2 1.00
D110HB3 1.00
D110H 1.00
D110HA 1.00
E111H 1.00
E111HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP109 HA 1.00 0.023 1.00 0.31
ASP110 HA 1.00 0.259 0.00 0.00
ASP110 HB2 1.00 0.000 1.00 0.67
ASP110 HB3 1.00 0.002 1.00 0.64
ASP110 H 1.00 0.000 1.00 -960573.00
GLU111 HA 1.00 0.348 0.00 0.00
GLU111 H 1.00 0.041 0.00 0.00

Detailed Probabilities of ASP(110)-HB2:

Overall probability: 0.400
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 0.25 0.80
GLU111 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110HD2 1.00
D110HA 1.00
D110HB3 1.00
D110H 1.00
D110HB2 1.00
E111H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.259 0.00 0.00
ASP110 HB2 1.00 0.263 0.00 0.00
ASP110 HB3 1.00 0.287 0.00 0.00
ASP110 H 1.00 0.001 1.00 -621275.00
GLU111 H 1.00 0.000 1.00 -401129.00

Detailed Probabilities of ASP(110)-HB3:

Overall probability: 0.800
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP110 0.75 0.80
GLU111 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D110HD2 1.00
D110HA 1.00
D110HB2 1.00
D110H 1.00
D110HB3 1.00
E111H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP110 HA 1.00 0.006 1.00 0.57
ASP110 HB2 1.00 0.002 1.00 2.86
ASP110 HB3 1.00 0.164 0.00 0.00
ASP110 H 1.00 0.009 1.00 -1070928.00
GLU111 H 1.00 0.007 1.00 -664166.00

Detailed Probabilities of ASP(110)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP109 1.00 1.00
ASP110 1.00 1.00
GLU111 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D109HB2 1.00
D109H 1.00
D109HA 1.00
D109HB3 1.00
D110HA 1.00
D110HB2 1.00
D110HB3 1.00
D110H 1.00
E111H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP109 HA 1.00 0.004 1.00 0.83
ASP109 HB2 1.00 0.007 1.00 0.36
ASP109 HB3 1.00 0.000 1.00 0.30
ASP109 H 1.00 0.002 1.00 -171345.00
ASP110 HA 1.00 0.003 1.00 0.53
ASP110 HB2 1.00 0.004 1.00 0.41
ASP110 HB3 1.00 0.004 1.00 0.49
ASP110 H 1.00 0.002 1.00 -8648139.00
GLU111 H 1.00 0.004 1.00 -766502.00