ARECA's report on MET67

Residue probability: 0.962
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.527 176.360 2.004 0.000 0.000
CA 59.963 56.303 4.222 0.833 1.000
CB 33.443 33.217 4.564 1.000 1.000
CG 32.070 32.123 4.122 1.000 1.000
CE 16.759 17.286 5.508 1.000 1.000
N 118.398 120.023 5.158 1.000 1.000
HA 3.948 4.409 0.504 0.833 1.000
HB2 2.203 2.016 0.340 1.000 1.000
HB3 2.049 1.978 0.359 1.000 1.000
HG2 2.567 2.410 0.360 0.877 1.000
HG3 2.395 2.378 0.386 1.000 1.000
HE 1.880 1.877 0.381 1.000 1.000
H 8.394 8.269 0.585 1.000 1.000

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Detailed Probabilities of MET(67)-CA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU66 0.67 1.00
MET67 1.00 1.00
LEU68 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E66HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG2 1.00
M67HG3 1.00
M67H 1.00
M67HA 1.00
L68HA 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU66 HA 1.00 0.078 0.00 0.00
GLU66 HB2 0.69 0.009 1.00 0.16
GLU66 HB3 0.86 0.016 1.00 0.09
MET67 HA 1.00 0.000 1.00 1.73
MET67 HB2 1.00 0.000 1.00 0.10
MET67 HB3 1.00 0.000 1.00 0.16
MET67 HG2 1.00 0.000 1.00 0.05
MET67 HG3 1.00 0.000 1.00 0.06
MET67 H 1.00 0.000 1.00 0.09
MET67 HE1 0.69 0.000 1.00 0.12
LEU68 HA 1.00 0.152 0.00 0.00
LEU68 H 1.00 0.000 1.00 0.02

Detailed Probabilities of MET(67)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HA 1.00
M67HB3 1.00
M67HG2 1.00
M67HG3 1.00
M67HE1 0.96
M67H 1.00
M67HB2 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HA 1.00 0.000 1.00 0.06
MET67 HB2 1.00 0.000 1.00 1.30
MET67 HB3 1.00 0.000 1.00 0.74
MET67 HG2 1.00 0.000 1.00 0.04
MET67 HG3 1.00 0.000 1.00 0.17
MET67 HE1 0.96 0.000 1.00 0.05
MET67 H 1.00 0.000 1.00 0.05
LEU68 H 1.00 0.000 1.00 0.02

Detailed Probabilities of MET(67)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG2 1.00
M67HE1 1.00
M67H 1.00
M67HG3 1.00
L68H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HA 1.00 0.000 1.00 0.06
MET67 HB2 1.00 0.000 1.00 0.08
MET67 HB3 1.00 0.000 1.00 0.04
MET67 HG2 1.00 0.000 1.00 0.51
MET67 HG3 1.00 0.000 1.00 0.56
MET67 HE1 1.00 0.000 1.00 0.07
MET67 H 1.00 0.000 1.00 0.02
LEU68 H 0.98 0.000 1.00 0.00

Detailed Probabilities of MET(67)-CE:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HB2 0.96
M67HB3 0.97
M67HG2 1.00
M67HG3 1.00
M67HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HB2 0.96 0.000 1.00 0.16
MET67 HB3 0.97 0.000 1.00 0.14
MET67 HG2 1.00 0.000 1.00 0.15
MET67 HG3 1.00 0.000 1.00 0.12
MET67 HE1 1.00 0.000 1.00 19.89
MET67 HA 0.67 0.000 1.00 0.13

Detailed Probabilities of MET(67)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU66 1.00 1.00
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E66HB2 1.00
E66HA 1.00
E66HG3 0.97
E66HB3 1.00
E66H 1.00
E66HG2 0.98
M67HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG2 1.00
M67HG3 1.00
M67H 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU66 HA 1.00 0.000 1.00 -1533.00
GLU66 HB2 1.00 0.000 1.00 -10410.00
GLU66 HB3 1.00 0.000 1.00 -6024.00
GLU66 HG2 0.98 0.000 1.00 -2902.00
GLU66 HG3 0.97 0.000 1.00 -6104.00
GLU66 H 1.00 0.000 1.00 -7362.00
MET67 HA 1.00 0.000 1.00 -6016.00
MET67 HB2 1.00 0.000 1.00 -8407.00
MET67 HB3 1.00 0.000 1.00 -10410.00
MET67 HG2 1.00 0.000 1.00 -2729.00
MET67 HG3 1.00 0.000 1.00 -2902.00
MET67 H 1.00 0.000 1.00 -54650.00
LEU68 H 1.00 0.000 1.00 -5501.00
LEU68 HA 0.93 0.015 1.00 -491.00

Detailed Probabilities of MET(67)-HA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU66 0.67 1.00
MET67 1.00 1.00
LEU68 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E66HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG2 1.00
M67HG3 1.00
M67H 1.00
M67HA 1.00
L68HA 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU66 HA 1.00 0.049 0.00 0.00
GLU66 HB2 0.69 0.002 1.00 0.08
GLU66 HB3 0.86 0.002 1.00 0.08
MET67 HA 1.00 0.000 1.00 1.73
MET67 HB2 1.00 0.000 1.00 0.06
MET67 HB3 1.00 0.000 1.00 0.09
MET67 HG2 1.00 0.000 1.00 0.06
MET67 HG3 1.00 0.000 1.00 0.06
MET67 H 1.00 0.000 1.00 -6016.00
MET67 HE1 0.69 0.000 1.00 0.13
LEU68 HA 1.00 0.169 0.00 0.00
LEU68 H 1.00 0.000 1.00 -1695.00

Detailed Probabilities of MET(67)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HA 1.00
M67HB3 1.00
M67HG2 1.00
M67HG3 1.00
M67HE1 0.96
M67H 1.00
M67HB2 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HA 1.00 0.000 1.00 0.10
MET67 HB2 1.00 0.000 1.00 1.30
MET67 HB3 1.00 0.000 1.00 0.61
MET67 HG2 1.00 0.000 1.00 0.09
MET67 HG3 1.00 0.000 1.00 0.08
MET67 HE1 0.96 0.000 1.00 0.16
MET67 H 1.00 0.000 1.00 -8407.00
LEU68 H 1.00 0.000 1.00 -3238.00

Detailed Probabilities of MET(67)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HA 1.00
M67HB2 1.00
M67HG2 1.00
M67HG3 1.00
M67HE1 0.97
M67H 1.00
M67HB3 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HA 1.00 0.000 1.00 0.16
MET67 HB2 1.00 0.000 1.00 0.74
MET67 HB3 1.00 0.000 1.00 1.21
MET67 HG2 1.00 0.000 1.00 0.03
MET67 HG3 1.00 0.000 1.00 0.04
MET67 HE1 0.97 0.000 1.00 0.14
MET67 H 1.00 0.000 1.00 -10410.00
LEU68 H 1.00 0.000 1.00 -4130.00
LEU68 HA 0.84 0.004 1.00 0.01

Detailed Probabilities of MET(67)-HG2:

Overall probability: 0.877
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00
LEU68 0.01 1.00

Expected NOESY Contacts
Proton Expected probability
M67HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG3 1.00
M67HE1 1.00
M67H 1.00
M67HG2 1.00
L68H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HA 1.00 0.000 1.00 0.05
MET67 HB2 1.00 0.000 1.00 0.04
MET67 HB3 1.00 0.000 1.00 0.03
MET67 HG2 1.00 0.000 1.00 1.10
MET67 HG3 1.00 0.000 1.00 0.51
MET67 HE1 1.00 0.000 1.00 0.15
MET67 H 1.00 0.000 1.00 -2729.00
LEU68 H 0.99 0.172 0.01 0.00

Detailed Probabilities of MET(67)-HG3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG2 1.00
M67HE1 1.00
M67H 1.00
M67HG3 1.00
L68H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HA 1.00 0.000 1.00 0.06
MET67 HB2 1.00 0.000 1.00 0.17
MET67 HB3 1.00 0.000 1.00 0.11
MET67 HG2 1.00 0.000 1.00 0.49
MET67 HG3 1.00 0.000 1.00 0.56
MET67 HE1 1.00 0.000 1.00 0.12
MET67 H 1.00 0.000 1.00 -2902.00
LEU68 H 0.98 0.000 1.00 -749.00

Detailed Probabilities of MET(67)-HE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET67 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M67HB2 0.96
M67HB3 0.97
M67HG2 1.00
M67HG3 1.00
M67HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET67 HB2 0.96 0.000 1.00 0.05
MET67 HB3 0.97 0.000 1.00 0.08
MET67 HG2 1.00 0.000 1.00 0.09
MET67 HG3 1.00 0.000 1.00 0.07
MET67 HE1 1.00 0.000 1.00 19.89
MET67 HA 0.67 0.000 1.00 0.12

Detailed Probabilities of MET(67)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU66 1.00 1.00
MET67 1.00 1.00
LEU68 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E66HB2 1.00
E66HA 1.00
E66HG3 0.97
E66HB3 1.00
E66H 1.00
E66HG2 0.98
M67HA 1.00
M67HB2 1.00
M67HB3 1.00
M67HG2 1.00
M67HG3 1.00
M67H 1.00
L68H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU66 HA 1.00 0.000 1.00 0.03
GLU66 HB2 1.00 0.000 1.00 0.06
GLU66 HB3 1.00 0.000 1.00 0.06
GLU66 HG2 0.98 0.000 1.00 0.01
GLU66 HG3 0.97 0.000 1.00 0.02
GLU66 H 1.00 0.000 1.00 -4118.00
MET67 HA 1.00 0.000 1.00 0.09
MET67 HB2 1.00 0.000 1.00 0.05
MET67 HB3 1.00 0.000 1.00 0.05
MET67 HG2 1.00 0.000 1.00 0.04
MET67 HG3 1.00 0.000 1.00 0.02
MET67 H 1.00 0.000 1.00 -54650.00
LEU68 H 1.00 0.000 1.00 -5783.00