ARECA's report on ILE71

Residue probability: 0.838
Residue probability confidence: 0.987

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.366 175.926 2.710 0.000 0.000
CA 60.460 61.717 4.152 0.780 1.000
CB 42.854 38.702 3.945 0.912 1.000
CG1 28.132 27.785 2.037 0.863 1.000
CG2 17.663 17.574 1.928 0.700 1.000
CD1 15.672 13.545 3.646 0.900 1.000
N 120.092 121.467 6.098 0.967 0.917
HA 5.168 4.185 1.403 0.900 1.000
HB 1.761 1.776 0.310 0.750 1.000
HG12 1.563 1.271 0.411 1.000 1.000
HG13 0.979 1.186 0.426 0.429 1.000
HG2 0.942 0.762 0.283 0.889 1.000
HD1 0.703 0.668 0.293 0.886 1.000
H 9.191 8.301 0.685 0.917 0.917

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Detailed Probabilities of ILE(71)-CA:

Overall probability: 0.780
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER70 0.00 1.00
ILE71 0.97 1.00
THR72 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
S70HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 0.97
I71H 1.00
I71HA 1.00
T72HA 1.00
T72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER70 HA 1.00 0.079 0.00 0.00
ILE71 HA 1.00 0.009 1.00 2.80
ILE71 HB 1.00 0.001 1.00 0.24
ILE71 HG12 1.00 0.017 1.00 0.29
ILE71 HG13 1.00 0.032 0.80 0.00
ILE71 HG21 1.00 0.005 1.00 0.65
ILE71 HD11 0.97 0.008 1.00 0.34
ILE71 H 1.00 0.023 1.00 0.22
THR72 HA 1.00 0.101 0.00 0.00
THR72 H 1.00 0.008 1.00 0.77

Detailed Probabilities of ILE(71)-CB:

Overall probability: 0.912
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.90 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HB 1.00
T72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.007 1.00 0.15
ILE71 HB 1.00 0.001 1.00 2.87
ILE71 HG12 1.00 0.009 1.00 0.53
ILE71 HG13 1.00 0.037 0.30 0.00
ILE71 HG21 1.00 0.000 1.00 1.21
ILE71 HD11 1.00 0.004 1.00 0.83
ILE71 H 1.00 0.007 1.00 0.38
THR72 H 1.00 0.002 1.00 0.07

Detailed Probabilities of ILE(71)-CG1:

Overall probability: 0.863
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.84 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HG12 1.00
T72H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.008 1.00 0.36
ILE71 HB 1.00 0.007 1.00 0.56
ILE71 HG12 1.00 0.012 1.00 15.92
ILE71 HG13 1.00 0.011 1.00 2.78
ILE71 HG21 1.00 0.026 1.00 2.78
ILE71 HD11 1.00 0.031 0.90 0.00
ILE71 H 1.00 0.831 0.00 0.00
THR72 H 0.98 0.000 1.00 0.06

Detailed Probabilities of ILE(71)-CG2:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.61 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG22 1.00
I71HD11 0.99
I71H 1.00
T72H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.009 1.00 0.53
ILE71 HB 1.00 0.042 0.00 0.00
ILE71 HG12 1.00 0.004 1.00 0.45
ILE71 HG13 1.00 0.062 0.00 0.00
ILE71 HG21 1.00 0.025 1.00 72.70
ILE71 HD11 0.99 0.037 0.30 0.00
ILE71 H 1.00 0.016 1.00 0.16
THR72 H 0.99 0.006 1.00 0.31
THR72 HA 0.64 0.002 1.00 0.08

Detailed Probabilities of ILE(71)-CD1:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.90 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 0.97
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 0.99
I71HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 0.97 0.010 1.00 0.20
ILE71 HB 1.00 0.003 1.00 1.25
ILE71 HG12 1.00 0.012 1.00 1.37
ILE71 HG13 1.00 0.037 0.30 0.00
ILE71 HG21 0.99 0.000 1.00 3.08
ILE71 HD11 1.00 0.003 1.00 51.50
ILE71 H 0.94 0.010 1.00 0.26

Detailed Probabilities of ILE(71)-N:

Overall probability: 0.967
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER70 1.00 0.80
ILE71 0.94 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S70HA 1.00
S70HG 0.98
S70H 1.00
S70HB3 1.00
S70HB2 1.00
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71H 1.00
T72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER70 HA 1.00 0.006 1.00 -1365183.00
SER70 HB2 1.00 0.003 1.00 -761024.00
SER70 HB3 1.00 0.012 1.00 -598325.00
SER70 H 1.00 0.017 1.00 -171442.00
ILE71 HA 1.00 0.001 1.00 -415722.00
ILE71 HB 1.00 0.001 1.00 -806568.00
ILE71 HG12 1.00 0.012 1.00 -415117.00
ILE71 HG13 1.00 0.034 0.60 0.00
ILE71 HG21 1.00 0.003 1.00 -575677.00
ILE71 H 1.00 0.007 1.00 -5820170.00
ILE71 HD11 0.94 0.014 1.00 -634581.00
THR72 H 1.00 0.002 1.00 -110747.00

Detailed Probabilities of ILE(71)-HA:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER70 1.00 1.00
ILE71 1.00 1.00
THR72 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
S70HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 0.97
I71H 1.00
I71HA 1.00
T72HA 1.00
T72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER70 HA 1.00 0.011 1.00 0.17
ILE71 HA 1.00 0.009 1.00 2.80
ILE71 HB 1.00 0.007 1.00 0.15
ILE71 HG12 1.00 0.008 1.00 0.36
ILE71 HG13 1.00 0.009 1.00 0.35
ILE71 HG21 1.00 0.009 1.00 0.53
ILE71 HD11 0.97 0.010 1.00 0.20
ILE71 H 1.00 0.001 1.00 -415722.00
THR72 HA 1.00 0.330 0.00 0.00
THR72 H 1.00 0.008 1.00 -1572376.00

Detailed Probabilities of ILE(71)-HB:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.71 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HB 1.00
T72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.001 1.00 0.24
ILE71 HB 1.00 0.001 1.00 2.87
ILE71 HG12 1.00 0.007 1.00 0.56
ILE71 HG13 1.00 0.118 0.00 0.00
ILE71 HG21 1.00 0.042 0.00 0.00
ILE71 HD11 1.00 0.003 1.00 1.25
ILE71 H 1.00 0.001 1.00 -806568.00
THR72 H 1.00 0.004 1.00 -103999.00

Detailed Probabilities of ILE(71)-HG12:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 1.00 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HG12 1.00
T72H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.017 1.00 0.29
ILE71 HB 1.00 0.009 1.00 0.53
ILE71 HG12 1.00 0.012 1.00 15.92
ILE71 HG13 1.00 0.007 1.00 2.00
ILE71 HG21 1.00 0.004 1.00 0.45
ILE71 HD11 1.00 0.012 1.00 1.37
ILE71 H 1.00 0.012 1.00 -415117.00
THR72 H 0.98 0.009 1.00 -144250.00

Detailed Probabilities of ILE(71)-HG13:

Overall probability: 0.429
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.43 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.032 0.80 0.00
ILE71 HB 1.00 0.037 0.30 0.00
ILE71 HG12 1.00 0.011 1.00 2.78
ILE71 HG13 1.00 0.284 0.00 0.00
ILE71 HG21 1.00 0.062 0.00 0.00
ILE71 HD11 1.00 0.037 0.30 0.00
ILE71 H 1.00 0.034 0.60 0.00

Detailed Probabilities of ILE(71)-HG21:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.86 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG22 1.00
I71HD11 0.99
I71H 1.00
T72H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.005 1.00 0.65
ILE71 HB 1.00 0.000 1.00 1.21
ILE71 HG12 1.00 0.026 1.00 2.78
ILE71 HG13 1.00 0.247 0.00 0.00
ILE71 HG21 1.00 0.025 1.00 72.70
ILE71 HD11 0.99 0.000 1.00 3.08
ILE71 H 1.00 0.003 1.00 -575677.00
THR72 H 0.99 0.002 1.00 -850861.00
THR72 HA 0.64 0.002 1.00 0.21

Detailed Probabilities of ILE(71)-HD11:

Overall probability: 0.886
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.89 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 0.97
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 0.99
I71HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 0.97 0.008 1.00 0.34
ILE71 HB 1.00 0.004 1.00 0.83
ILE71 HG12 1.00 0.031 0.90 0.00
ILE71 HG13 1.00 0.008 1.00 1.48
ILE71 HG21 0.99 0.037 0.30 0.00
ILE71 HD11 1.00 0.003 1.00 51.50
ILE71 H 0.94 0.014 1.00 -634581.00

Detailed Probabilities of ILE(71)-H:

Overall probability: 0.917
Overall confidence: 0.917

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
SER70 1.00 0.80
ILE71 0.86 1.00
THR72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
S70HA 1.00
S70HG 0.98
S70H 1.00
S70HB3 1.00
S70HB2 1.00
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71H 1.00
T72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
SER70 HA 1.00 0.008 1.00 0.90
SER70 HB2 1.00 0.007 1.00 0.45
SER70 HB3 1.00 0.008 1.00 0.34
SER70 H 1.00 0.004 1.00 -179463.00
ILE71 HA 1.00 0.023 1.00 0.22
ILE71 HB 1.00 0.007 1.00 0.38
ILE71 HG12 1.00 0.831 0.00 0.00
ILE71 HG13 1.00 0.000 1.00 0.11
ILE71 HG21 1.00 0.016 1.00 0.16
ILE71 H 1.00 0.007 1.00 -5820170.00
ILE71 HD11 0.94 0.010 1.00 0.26
THR72 H 1.00 0.020 1.00 -123043.00