ARECA's report on MET121

Residue probability: 0.957
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.577 176.360 2.004 0.000 0.000
CA 59.785 56.303 4.222 0.800 1.000
CB 33.643 33.217 4.564 1.000 1.000
CG 31.222 32.123 4.122 1.000 1.000
CE 16.539 17.286 5.508 1.000 1.000
N 116.596 120.023 5.158 1.000 1.000
HA 3.931 4.409 0.504 0.800 1.000
HB2 2.290 2.016 0.340 1.000 1.000
HB3 2.077 1.978 0.359 1.000 1.000
HG2 1.917 2.410 0.360 1.000 1.000
HG3 2.625 2.378 0.386 0.879 1.000
HE 1.830 1.877 0.381 1.000 1.000
H 8.317 8.269 0.585 1.000 1.000

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Detailed Probabilities of MET(121)-CA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE120 0.00 1.00
MET121 1.00 1.00
GLN122 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F120HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG2 1.00
M121HG3 1.00
M121H 1.00
M121HA 1.00
Q122H 1.00
Q122HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE120 HA 1.00 0.074 0.00 0.00
MET121 HA 1.00 0.000 1.00 0.68
MET121 HB2 1.00 0.000 1.00 0.04
MET121 HB3 1.00 0.000 1.00 0.09
MET121 HG2 1.00 0.000 1.00 0.11
MET121 HG3 1.00 0.000 1.00 0.02
MET121 H 1.00 0.000 1.00 0.02
MET121 HE1 0.69 0.000 1.00 0.08
GLN122 HA 1.00 0.187 0.00 0.00
GLN122 H 1.00 0.000 1.00 0.02

Detailed Probabilities of MET(121)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
M121HB3 1.00
M121HG2 1.00
M121HG3 1.00
M121HE1 0.96
M121H 1.00
M121HB2 1.00
Q122H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.000 1.00 0.03
MET121 HB2 1.00 0.000 1.00 0.86
MET121 HB3 1.00 0.000 1.00 0.13
MET121 HG2 1.00 0.000 1.00 0.05
MET121 HG3 1.00 0.000 1.00 0.02
MET121 HE1 0.96 0.000 1.00 0.05
MET121 H 1.00 0.000 1.00 0.03
GLN122 H 1.00 0.000 1.00 0.02

Detailed Probabilities of MET(121)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG3 1.00
M121HE1 1.00
M121H 1.00
M121HG2 1.00
Q122H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.000 1.00 0.03
MET121 HB2 1.00 0.000 1.00 0.04
MET121 HB3 1.00 0.000 1.00 0.09
MET121 HG2 1.00 0.000 1.00 0.15
MET121 HG3 1.00 0.000 1.00 0.14
MET121 HE1 1.00 0.000 1.00 0.06
MET121 H 1.00 0.000 1.00 0.02
GLN122 H 0.98 0.000 1.00 0.00

Detailed Probabilities of MET(121)-CE:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HB2 0.96
M121HB3 0.97
M121HG2 1.00
M121HG3 1.00
M121HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HB2 0.96 0.000 1.00 0.11
MET121 HB3 0.97 0.000 1.00 0.17
MET121 HG2 1.00 0.000 1.00 0.14
MET121 HG3 1.00 0.000 1.00 0.07
MET121 HE1 1.00 0.000 1.00 10.66
MET121 HA 0.67 0.000 1.00 0.15

Detailed Probabilities of MET(121)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE120 1.00 1.00
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F120HB2 1.00
F120HA 1.00
F120H 1.00
F120HB3 1.00
M121HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG2 1.00
M121HG3 1.00
M121H 1.00
Q122H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE120 HA 1.00 0.000 1.00 -1020.00
PHE120 HB2 1.00 0.000 1.00 -1948.00
PHE120 HB3 1.00 0.000 1.00 -2078.00
PHE120 H 1.00 0.000 1.00 -2737.00
PHE120 HD1 0.83 0.001 1.00 -626.00
PHE120 HD2 0.71 0.001 1.00 -626.00
MET121 HA 1.00 0.000 1.00 -2685.00
MET121 HB2 1.00 0.000 1.00 -3624.00
MET121 HB3 1.00 0.000 1.00 -2452.00
MET121 HG2 1.00 0.000 1.00 -2420.00
MET121 HG3 1.00 0.000 1.00 -3221.00
MET121 H 1.00 0.000 1.00 -26850.00
GLN122 H 1.00 0.000 1.00 -4414.00

Detailed Probabilities of MET(121)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE120 0.00 1.00
MET121 1.00 1.00
GLN122 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F120HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG2 1.00
M121HG3 1.00
M121H 1.00
M121HA 1.00
Q122H 1.00
Q122HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE120 HA 1.00 0.091 0.00 0.00
MET121 HA 1.00 0.000 1.00 0.68
MET121 HB2 1.00 0.000 1.00 0.03
MET121 HB3 1.00 0.000 1.00 0.06
MET121 HG2 1.00 0.000 1.00 0.03
MET121 HG3 1.00 0.000 1.00 0.03
MET121 H 1.00 0.000 1.00 -2685.00
MET121 HE1 0.69 0.000 1.00 0.15
GLN122 HA 1.00 0.204 0.00 0.00
GLN122 H 1.00 0.000 1.00 -821.00

Detailed Probabilities of MET(121)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
M121HB3 1.00
M121HG2 1.00
M121HG3 1.00
M121HE1 0.96
M121H 1.00
M121HB2 1.00
Q122H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.000 1.00 0.04
MET121 HB2 1.00 0.000 1.00 0.86
MET121 HB3 1.00 0.000 1.00 0.19
MET121 HG2 1.00 0.000 1.00 0.04
MET121 HG3 1.00 0.000 1.00 0.02
MET121 HE1 0.96 0.000 1.00 0.11
MET121 H 1.00 0.000 1.00 -3624.00
GLN122 H 1.00 0.000 1.00 -7601.00

Detailed Probabilities of MET(121)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
M121HB2 1.00
M121HG2 1.00
M121HG3 1.00
M121HE1 0.97
M121H 1.00
M121HB3 1.00
Q122H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.000 1.00 0.09
MET121 HB2 1.00 0.000 1.00 0.13
MET121 HB3 1.00 0.000 1.00 0.38
MET121 HG2 1.00 0.000 1.00 0.09
MET121 HG3 1.00 0.000 1.00 0.08
MET121 HE1 0.97 0.000 1.00 0.17
MET121 H 1.00 0.000 1.00 -2452.00
GLN122 H 1.00 0.000 1.00 -1718.00
GLN122 HA 0.75 0.024 1.00 0.14

Detailed Probabilities of MET(121)-HG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG3 1.00
M121HE1 1.00
M121H 1.00
M121HG2 1.00
Q122H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.000 1.00 0.11
MET121 HB2 1.00 0.000 1.00 0.05
MET121 HB3 1.00 0.000 1.00 0.08
MET121 HG2 1.00 0.000 1.00 0.15
MET121 HG3 1.00 0.000 1.00 0.14
MET121 HE1 1.00 0.000 1.00 0.14
MET121 H 1.00 0.000 1.00 -2420.00
GLN122 H 0.98 0.000 1.00 -791.00

Detailed Probabilities of MET(121)-HG3:

Overall probability: 0.879
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00
GLN122 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
M121HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG2 1.00
M121HE1 1.00
M121H 1.00
M121HG3 1.00
Q122H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HA 1.00 0.000 1.00 0.02
MET121 HB2 1.00 0.000 1.00 0.02
MET121 HB3 1.00 0.000 1.00 0.03
MET121 HG2 1.00 0.000 1.00 0.14
MET121 HG3 1.00 0.000 1.00 1.47
MET121 HE1 1.00 0.000 1.00 0.07
MET121 H 1.00 0.000 1.00 -3221.00
GLN122 H 0.97 0.104 0.03 0.00

Detailed Probabilities of MET(121)-HE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET121 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M121HB2 0.96
M121HB3 0.97
M121HG2 1.00
M121HG3 1.00
M121HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET121 HB2 0.96 0.000 1.00 0.05
MET121 HB3 0.97 0.000 1.00 0.04
MET121 HG2 1.00 0.000 1.00 0.06
MET121 HG3 1.00 0.000 1.00 0.05
MET121 HE1 1.00 0.000 1.00 10.66
MET121 HA 0.67 0.000 1.00 0.08

Detailed Probabilities of MET(121)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE120 1.00 1.00
MET121 1.00 1.00
GLN122 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F120HB2 1.00
F120HA 1.00
F120H 1.00
F120HB3 1.00
M121HA 1.00
M121HB2 1.00
M121HB3 1.00
M121HG2 1.00
M121HG3 1.00
M121H 1.00
Q122H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE120 HA 1.00 0.000 1.00 0.00
PHE120 HB2 1.00 0.000 1.00 0.01
PHE120 HB3 1.00 0.000 1.00 0.00
PHE120 H 1.00 0.000 1.00 -2114.00
MET121 HA 1.00 0.000 1.00 0.02
MET121 HB2 1.00 0.000 1.00 0.03
MET121 HB3 1.00 0.000 1.00 0.02
MET121 HG2 1.00 0.000 1.00 0.02
MET121 HG3 1.00 0.000 1.00 0.04
MET121 H 1.00 0.000 1.00 -26850.00
GLN122 H 1.00 0.000 1.00 -3283.00