ARECA's report on ASP88

Residue probability: 0.781
Residue probability confidence: 0.897

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.137 176.463 2.348 0.000 0.000
CA 57.146 54.786 4.266 0.701 0.889
CB 40.867 40.949 3.070 0.800 0.833
N 116.681 120.550 5.690 1.000 1.000
HD2 NA -- -- 0.000 0.000
HA 4.617 4.587 0.329 0.502 0.889
HB2 2.679 2.708 0.282 0.833 0.833
HB3 2.591 2.654 0.285 0.800 0.833
H 7.457 8.304 1.027 0.833 1.000

[Back]

Detailed Probabilities of ASP(88)-CA:

Overall probability: 0.701
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.67 1.00
ASP88 0.75 0.80
ILE89 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 0.99
D88HD2 1.00
D88HB2 1.00
D88HB3 1.00
D88H 1.00
D88HA 1.00
I89H 1.00
I89HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.015 1.00 0.14
PRO87 HB2 0.99 0.052 0.01 0.00
PRO87 HG2 0.63 0.004 1.00 0.23
ASP88 HA 1.00 0.101 0.00 0.00
ASP88 HB2 1.00 0.010 1.00 0.58
ASP88 HB3 1.00 0.007 1.00 0.83
ASP88 H 1.00 0.010 1.00 1.09
ILE89 HA 1.00 0.195 0.00 0.00
ILE89 H 1.00 0.008 1.00 0.28
ILE89 HG13 0.62 0.001 1.00 0.07

Detailed Probabilities of ASP(88)-CB:

Overall probability: 0.800
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 0.75 0.80
ILE89 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HD2 1.00
D88HA 1.00
D88HB3 1.00
D88H 1.00
D88HB2 1.00
I89H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.003 1.00 1.43
ASP88 HB2 1.00 0.095 0.00 0.00
ASP88 HB3 1.00 0.007 1.00 2.55
ASP88 H 1.00 0.005 1.00 0.59
ILE89 H 1.00 0.013 1.00 0.21

Detailed Probabilities of ASP(88)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 1.00 1.00
ASP88 1.00 1.00
ILE89 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P87HB2 1.00
P87HB3 1.00
P87HA 1.00
D88HA 1.00
D88HB2 1.00
D88HB3 1.00
D88H 1.00
I89H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.002 1.00 -300985.00
PRO87 HB2 1.00 0.003 1.00 -1004488.00
PRO87 HB3 1.00 0.005 1.00 -452100.00
PRO87 HG3 0.87 0.001 1.00 -280283.00
PRO87 HD2 0.82 0.004 1.00 -269386.00
PRO87 HD3 0.72 0.005 1.00 -601947.00
ASP88 HA 1.00 0.003 1.00 -1368172.00
ASP88 HB2 1.00 0.006 1.00 -1700870.00
ASP88 HB3 1.00 0.005 1.00 -1187462.00
ASP88 H 1.00 0.006 1.00 -13213099.00
ILE89 H 1.00 0.006 1.00 -1636305.00
ILE89 HA 0.91 0.001 1.00 -113360.00
ILE89 HB 0.52 0.009 1.00 -137511.00
ILE89 HG13 0.56 0.010 1.00 -115654.00

Detailed Probabilities of ASP(88)-HA:

Overall probability: 0.502
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.01 1.00
ASP88 0.75 0.80
ILE89 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
P87HA 1.00
P87HB2 0.99
D88HD2 1.00
D88HB2 1.00
D88HB3 1.00
D88H 1.00
D88HA 1.00
I89H 1.00
I89HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.330 0.00 0.00
PRO87 HB2 0.99 0.206 0.01 0.00
ASP88 HA 1.00 0.101 0.00 0.00
ASP88 HB2 1.00 0.003 1.00 1.43
ASP88 HB3 1.00 0.000 1.00 0.67
ASP88 H 1.00 0.003 1.00 -1368172.00
ILE89 HA 1.00 0.296 0.00 0.00
ILE89 H 1.00 0.005 1.00 -327917.00

Detailed Probabilities of ASP(88)-HB2:

Overall probability: 0.833
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 0.75 0.80
ILE89 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HD2 1.00
D88HA 1.00
D88HB3 1.00
D88H 1.00
D88HB2 1.00
I89H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.010 1.00 0.58
ASP88 HB2 1.00 0.095 0.00 0.00
ASP88 HB3 1.00 0.008 1.00 2.42
ASP88 H 1.00 0.006 1.00 -1700870.00
ILE89 H 1.00 0.005 1.00 -393719.00
ILE89 HA 0.59 0.006 1.00 0.05

Detailed Probabilities of ASP(88)-HB3:

Overall probability: 0.800
Overall confidence: 0.833

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP88 0.75 0.80
ILE89 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D88HD2 1.00
D88HA 1.00
D88HB2 1.00
D88H 1.00
D88HB3 1.00
I89H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP88 HA 1.00 0.007 1.00 0.83
ASP88 HB2 1.00 0.007 1.00 2.55
ASP88 HB3 1.00 0.080 0.00 0.00
ASP88 H 1.00 0.005 1.00 -1187462.00
ILE89 H 1.00 0.005 1.00 -263018.00

Detailed Probabilities of ASP(88)-H:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PRO87 0.71 1.00
ASP88 1.00 1.00
ILE89 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
P87HB2 1.00
P87HB3 1.00
P87HA 1.00
D88HA 1.00
D88HB2 1.00
D88HB3 1.00
D88H 1.00
I89H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PRO87 HA 1.00 0.086 0.00 0.00
PRO87 HB2 1.00 0.042 0.00 0.00
PRO87 HB3 1.00 0.007 1.00 0.27
PRO87 HG2 0.95 0.015 1.00 0.12
PRO87 HG3 0.87 0.006 1.00 0.19
PRO87 HD2 0.82 0.020 1.00 0.22
PRO87 HD3 0.72 0.012 1.00 0.38
ASP88 HA 1.00 0.010 1.00 1.09
ASP88 HB2 1.00 0.005 1.00 0.59
ASP88 HB3 1.00 0.006 1.00 0.53
ASP88 H 1.00 0.006 1.00 -13213099.00
ILE89 H 1.00 0.006 1.00 -1137509.00