ARECA's report on LEU101

Residue probability: 0.672
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 53.452 55.735 3.802 0.960 1.000
CB 41.284 42.389 3.750 0.444 1.000
CG 27.245 26.892 3.086 0.143 1.000
CD1 24.911 24.837 3.657 0.858 1.000
CD2 22.335 24.201 3.117 0.914 1.000
N 122.211 121.785 4.943 0.992 1.000
HA 4.361 4.315 0.840 0.693 1.000
HB2 1.415 1.601 0.373 0.589 1.000
HB3 1.297 1.508 0.398 0.667 1.000
HG 1.463 1.510 0.340 0.500 1.000
HD1 0.858 0.739 0.294 0.571 1.000
HD2 0.887 0.727 0.421 0.571 1.000
H 7.308 8.237 0.647 0.835 1.000

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Detailed Probabilities of LEU(101)-CA:

Overall probability: 0.960
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY100 0.95 1.00
LEU101 0.93 1.00
PRO102 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
G100HA2 1.00
G100HA3 1.00
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101HD11 0.99
L101HD21 0.99
L101H 1.00
L101HA 1.00
P102HD2 1.00
P102HD3 1.00
P102HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY100 HA2 1.00 0.031 0.90 0.00
GLY100 HA3 1.00 0.017 1.00 0.08
LEU101 HA 1.00 0.002 1.00 6.64
LEU101 HB2 1.00 0.013 1.00 0.88
LEU101 HB3 1.00 0.004 1.00 0.45
LEU101 HG 1.00 0.035 0.50 0.00
LEU101 HD11 0.99 0.025 1.00 2.17
LEU101 HD21 0.99 0.004 1.00 2.17
LEU101 H 1.00 0.002 1.00 0.43
PRO102 HA 1.00 0.021 1.00 0.10
PRO102 HD2 1.00 0.000 1.00 1.96
PRO102 HD3 1.00 0.007 1.00 1.41
PRO102 HB3 0.77 0.003 1.00 0.15
PRO102 HG2 0.91 0.002 1.00 0.42
PRO102 HG3 0.90 0.001 1.00 0.42

Detailed Probabilities of LEU(101)-CB:

Overall probability: 0.444
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.29 1.00
PRO102 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 1.00
L101HB2 1.00
L101HG 1.00
L101HD11 1.00
L101HD21 1.00
L101H 1.00
L101HB3 1.00
P102HD2 1.00
P102HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 1.00 0.003 1.00 0.29
LEU101 HB2 1.00 2.177 0.00 0.00
LEU101 HB3 1.00 2.295 0.00 0.00
LEU101 HG 1.00 2.129 0.00 0.00
LEU101 HD11 1.00 2.734 0.00 0.00
LEU101 HD21 1.00 2.705 0.00 0.00
LEU101 H 1.00 0.003 1.00 0.43
PRO102 HD2 1.00 0.001 1.00 0.16
PRO102 HD3 1.00 0.008 1.00 0.25

Detailed Probabilities of LEU(101)-CG:

Overall probability: 0.143
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.14 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 1.00
L101HB2 1.00
L101HB3 1.00
L101HD11 1.00
L101HD21 1.00
L101H 1.00
L101HG 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 1.00 0.109 0.00 0.00
LEU101 HB2 1.00 0.124 0.00 0.00
LEU101 HB3 1.00 0.006 1.00 1.51
LEU101 HG 1.00 0.172 0.00 0.00
LEU101 HD11 1.00 0.308 0.00 0.00
LEU101 HD21 1.00 0.279 0.00 0.00
LEU101 H 1.00 0.093 0.00 0.00

Detailed Probabilities of LEU(101)-CD1:

Overall probability: 0.858
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 0.99
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101HD12 1.00
L101HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 0.99 0.052 0.01 0.00
LEU101 HB2 1.00 0.029 1.00 3.10
LEU101 HB3 1.00 0.002 1.00 2.06
LEU101 HG 1.00 0.019 1.00 3.10
LEU101 HD11 1.00 0.006 1.00 205.58
LEU101 HD21 1.00 0.023 1.00 205.58
LEU101 H 0.86 0.004 1.00 0.49

Detailed Probabilities of LEU(101)-CD2:

Overall probability: 0.914
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.91 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 0.99
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101HD11 1.00
L101HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 0.99 0.001 1.00 3.21
LEU101 HB2 1.00 0.036 0.40 0.00
LEU101 HB3 1.00 0.006 1.00 0.69
LEU101 HG 1.00 0.012 1.00 3.29
LEU101 HD11 1.00 0.028 1.00 136.50
LEU101 HD21 1.00 0.001 1.00 136.50
LEU101 H 0.85 0.008 1.00 0.56

Detailed Probabilities of LEU(101)-N:

Overall probability: 0.992
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY100 1.00 1.00
LEU101 0.99 1.00
PRO102 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
G100HA3 1.00
G100HA2 1.00
G100H 1.00
L101HA 1.00
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101H 1.00
P102HD2 0.99
P102HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY100 HA2 1.00 0.000 1.00 -370093.00
GLY100 HA3 1.00 0.009 1.00 -448376.00
GLY100 H 1.00 0.001 1.00 -602217.00
LEU101 HA 1.00 0.001 1.00 -884886.00
LEU101 HB2 1.00 0.031 0.90 0.00
LEU101 HB3 1.00 0.009 1.00 -1386012.00
LEU101 HG 1.00 0.017 1.00 -1889980.00
LEU101 H 1.00 0.002 1.00 -10322191.00
LEU101 HD11 0.88 0.011 1.00 -1157950.00
LEU101 HD21 0.87 0.018 1.00 -1157950.00
PRO102 HD2 0.99 0.003 1.00 -401537.00
PRO102 HD3 0.99 0.006 1.00 -214013.00

Detailed Probabilities of LEU(101)-HA:

Overall probability: 0.693
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY100 0.50 1.00
LEU101 0.72 1.00
PRO102 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
G100HA2 1.00
G100HA3 1.00
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101HD11 0.99
L101HD21 0.99
L101H 1.00
L101HA 1.00
P102HD2 1.00
P102HD3 1.00
P102HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY100 HA2 1.00 0.007 1.00 0.06
GLY100 HA3 1.00 0.367 0.00 0.00
LEU101 HA 1.00 0.002 1.00 6.64
LEU101 HB2 1.00 0.000 1.00 0.34
LEU101 HB3 1.00 0.003 1.00 0.29
LEU101 HG 1.00 0.109 0.00 0.00
LEU101 HD11 0.99 0.052 0.01 0.00
LEU101 HD21 0.99 0.001 1.00 3.21
LEU101 H 1.00 0.001 1.00 -884886.00
PRO102 HA 1.00 0.307 0.00 0.00
PRO102 HD2 1.00 0.001 1.00 1.81
PRO102 HD3 1.00 0.000 1.00 1.57
PRO102 HB3 0.77 0.023 1.00 1.48

Detailed Probabilities of LEU(101)-HB2:

Overall probability: 0.589
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.47 1.00
PRO102 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 1.00
L101HB3 1.00
L101HG 1.00
L101HD11 1.00
L101HD21 1.00
L101H 1.00
L101HB2 1.00
P102HD3 1.00
P102HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 1.00 0.013 1.00 0.88
LEU101 HB2 1.00 0.873 0.00 0.00
LEU101 HB3 1.00 2.177 0.00 0.00
LEU101 HG 1.00 0.124 0.00 0.00
LEU101 HD11 1.00 0.029 1.00 3.10
LEU101 HD21 1.00 0.036 0.40 0.00
LEU101 H 1.00 0.031 0.90 0.00
PRO102 HD2 0.99 0.001 1.00 0.52
PRO102 HD3 1.00 0.000 1.00 0.73

Detailed Probabilities of LEU(101)-HB3:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.71 1.00
PRO102 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 1.00
L101HB2 1.00
L101HG 1.00
L101HD11 1.00
L101HD21 1.00
L101H 1.00
L101HB3 1.00
P102HD2 1.00
P102HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 1.00 0.004 1.00 0.45
LEU101 HB2 1.00 0.991 0.00 0.00
LEU101 HB3 1.00 2.295 0.00 0.00
LEU101 HG 1.00 0.006 1.00 1.51
LEU101 HD11 1.00 0.002 1.00 2.06
LEU101 HD21 1.00 0.006 1.00 0.69
LEU101 H 1.00 0.009 1.00 -1386012.00
PRO102 HD2 1.00 0.117 0.00 0.00
PRO102 HD3 1.00 0.016 1.00 0.36

Detailed Probabilities of LEU(101)-HG:

Overall probability: 0.500
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 1.00
L101HB2 1.00
L101HB3 1.00
L101HD11 1.00
L101HD21 1.00
L101H 1.00
L101HG 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 1.00 0.035 0.50 0.00
LEU101 HB2 1.00 0.825 0.00 0.00
LEU101 HB3 1.00 2.129 0.00 0.00
LEU101 HG 1.00 0.172 0.00 0.00
LEU101 HD11 1.00 0.019 1.00 3.10
LEU101 HD21 1.00 0.012 1.00 3.29
LEU101 H 1.00 0.017 1.00 -1889980.00

Detailed Probabilities of LEU(101)-HD11:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 0.99
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101HD12 1.00
L101HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 0.99 0.025 1.00 2.17
LEU101 HB2 1.00 1.430 0.00 0.00
LEU101 HB3 1.00 2.734 0.00 0.00
LEU101 HG 1.00 0.308 0.00 0.00
LEU101 HD11 1.00 0.006 1.00 205.58
LEU101 HD21 1.00 0.028 1.00 136.50
LEU101 H 0.86 0.011 1.00 -1157950.00

Detailed Probabilities of LEU(101)-HD21:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU101 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
L101HA 0.99
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101HD11 1.00
L101HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU101 HA 0.99 0.004 1.00 2.17
LEU101 HB2 1.00 1.401 0.00 0.00
LEU101 HB3 1.00 2.705 0.00 0.00
LEU101 HG 1.00 0.279 0.00 0.00
LEU101 HD11 1.00 0.023 1.00 205.58
LEU101 HD21 1.00 0.001 1.00 136.50
LEU101 H 0.85 0.018 1.00 -1157950.00

Detailed Probabilities of LEU(101)-H:

Overall probability: 0.835
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLY100 1.00 1.00
LEU101 0.86 1.00
PRO102 0.51 1.00

Expected NOESY Contacts
Proton Expected probability
G100HA3 1.00
G100HA2 1.00
G100H 1.00
L101HA 1.00
L101HB2 1.00
L101HB3 1.00
L101HG 1.00
L101H 1.00
P102HD2 0.99
P102HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLY100 HA2 1.00 0.002 1.00 0.31
GLY100 HA3 1.00 0.000 1.00 0.30
GLY100 H 1.00 0.006 1.00 -788543.00
LEU101 HA 1.00 0.002 1.00 0.43
LEU101 HB2 1.00 0.003 1.00 0.33
LEU101 HB3 1.00 0.003 1.00 0.43
LEU101 HG 1.00 0.093 0.00 0.00
LEU101 H 1.00 0.002 1.00 -10322191.00
LEU101 HD11 0.88 0.004 1.00 0.49
LEU101 HD21 0.87 0.008 1.00 0.56
PRO102 HD2 0.99 0.497 0.01 0.00
PRO102 HD3 0.99 0.002 1.00 0.12