ARECA's report on MET94

Residue probability: 0.721
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 179.449 176.360 2.004 0.000 0.000
CA 58.974 56.303 4.222 0.808 1.000
CB 31.488 33.217 4.564 0.571 1.000
CG 32.249 32.123 4.122 1.000 1.000
CE 16.219 17.286 5.508 0.215 1.000
N 118.345 120.023 5.158 0.923 1.000
HA 4.279 4.409 0.504 0.917 1.000
HB2 2.121 2.016 0.340 0.630 1.000
HB3 2.032 1.978 0.359 0.629 1.000
HG2 2.524 2.410 0.360 0.750 1.000
HG3 2.666 2.378 0.386 0.857 1.000
HE 2.024 1.877 0.381 0.513 1.000
H 8.632 8.269 0.585 0.836 1.000

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Detailed Probabilities of MET(94)-CA:

Overall probability: 0.808
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.67 1.00
MET94 1.00 1.00
ASP95 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG2 1.00
M94HG3 1.00
M94H 1.00
M94HA 1.00
D95H 1.00
D95HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.258 0.00 0.00
ILE93 HG21 0.73 0.010 1.00 0.25
ILE93 H 0.91 0.009 1.00 0.10
MET94 HA 1.00 0.004 1.00 7.91
MET94 HB2 1.00 0.010 1.00 0.52
MET94 HB3 1.00 0.004 1.00 0.85
MET94 HG2 1.00 0.004 1.00 0.45
MET94 HG3 1.00 0.003 1.00 0.32
MET94 H 1.00 0.006 1.00 0.70
MET94 HE1 0.69 0.004 1.00 0.85
ASP95 HA 1.00 0.035 0.50 0.00
ASP95 H 1.00 0.063 0.00 0.00
ASP95 HB2 0.54 0.003 1.00 0.05

Detailed Probabilities of MET(94)-CB:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.58 1.00
ASP95 0.55 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
M94HB3 1.00
M94HG2 1.00
M94HG3 1.00
M94HE1 0.96
M94H 1.00
M94HB2 1.00
D95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.003 1.00 0.34
MET94 HB2 1.00 0.029 1.00 28.97
MET94 HB3 1.00 0.084 0.00 0.00
MET94 HG2 1.00 0.140 0.00 0.00
MET94 HG3 1.00 0.002 1.00 0.21
MET94 HE1 0.96 0.076 0.04 0.00
MET94 H 1.00 0.030 1.00 0.00
ASP95 H 1.00 0.039 0.10 0.00
ASP95 HA 0.69 0.007 1.00 1.00

Detailed Probabilities of MET(94)-CG:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG2 1.00
M94HE1 1.00
M94H 1.00
M94HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.002 1.00 0.17
MET94 HB2 1.00 0.006 1.00 0.39
MET94 HB3 1.00 0.012 1.00 0.60
MET94 HG2 1.00 0.002 1.00 1.86
MET94 HG3 1.00 0.002 1.00 3.04
MET94 HE1 1.00 0.004 1.00 0.60
MET94 H 1.00 0.006 1.00 0.27

Detailed Probabilities of MET(94)-CE:

Overall probability: 0.215
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.22 1.00

Expected NOESY Contacts
Proton Expected probability
M94HB2 0.96
M94HB3 0.97
M94HG2 1.00
M94HG3 1.00
M94HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HB2 0.96 0.404 0.04 0.00
MET94 HB3 0.97 0.493 0.03 0.00
MET94 HG2 1.00 0.001 1.00 0.14
MET94 HG3 1.00 0.126 0.00 0.00
MET94 HE1 1.00 0.501 0.00 0.00

Detailed Probabilities of MET(94)-N:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 1.00 1.00
MET94 1.00 1.00
ASP95 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I93HG12 0.97
I93H 1.00
I93HG21 0.98
I93HB 1.00
I93HA 1.00
M94HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG2 1.00
M94HG3 1.00
M94H 1.00
D95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.006 1.00 -238315.00
ILE93 HB 1.00 0.000 1.00 -1062626.00
ILE93 HG12 0.97 0.004 1.00 -120159.00
ILE93 HG21 0.98 0.008 1.00 -555329.00
ILE93 H 1.00 0.001 1.00 -1297012.00
MET94 HA 1.00 0.001 1.00 -1043291.00
MET94 HB2 1.00 0.005 1.00 -1348427.00
MET94 HB3 1.00 0.004 1.00 -1103036.00
MET94 HG2 1.00 0.005 1.00 -892467.00
MET94 HG3 1.00 0.003 1.00 -885392.00
MET94 H 1.00 0.005 1.00 -10772325.00
ASP95 H 1.00 0.064 0.00 0.00
ASP95 HA 0.85 0.004 1.00 -100714.00

Detailed Probabilities of MET(94)-HA:

Overall probability: 0.917
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.67 1.00
MET94 1.00 1.00
ASP95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG2 1.00
M94HG3 1.00
M94H 1.00
M94HA 1.00
D95H 1.00
D95HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.077 0.00 0.00
ILE93 HB 0.89 0.002 1.00 0.05
ILE93 HG21 0.73 0.001 1.00 0.15
MET94 HA 1.00 0.004 1.00 7.91
MET94 HB2 1.00 0.003 1.00 0.34
MET94 HB3 1.00 0.001 1.00 0.31
MET94 HG2 1.00 0.004 1.00 0.35
MET94 HG3 1.00 0.002 1.00 0.17
MET94 H 1.00 0.001 1.00 -1043291.00
ASP95 HA 1.00 0.017 1.00 0.26
ASP95 H 1.00 0.004 1.00 -393660.00
ASP95 HB2 0.54 0.012 1.00 0.07

Detailed Probabilities of MET(94)-HB2:

Overall probability: 0.630
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.58 1.00
ASP95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
M94HB3 1.00
M94HG2 1.00
M94HG3 1.00
M94HE1 0.96
M94H 1.00
M94HB2 1.00
D95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.010 1.00 0.52
MET94 HB2 1.00 0.029 1.00 28.97
MET94 HB3 1.00 0.544 0.00 0.00
MET94 HG2 1.00 0.069 0.00 0.00
MET94 HG3 1.00 0.006 1.00 0.39
MET94 HE1 0.96 0.404 0.04 0.00
MET94 H 1.00 0.005 1.00 -1348427.00
ASP95 H 1.00 0.005 1.00 -862560.00

Detailed Probabilities of MET(94)-HB3:

Overall probability: 0.629
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.58 1.00
ASP95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
M94HB2 1.00
M94HG2 1.00
M94HG3 1.00
M94HE1 0.97
M94H 1.00
M94HB3 1.00
D95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.004 1.00 0.85
MET94 HB2 1.00 0.084 0.00 0.00
MET94 HB3 1.00 0.633 0.00 0.00
MET94 HG2 1.00 0.020 1.00 3.95
MET94 HG3 1.00 0.012 1.00 0.60
MET94 HE1 0.97 0.493 0.03 0.00
MET94 H 1.00 0.004 1.00 -1103036.00
ASP95 H 1.00 0.006 1.00 -739757.00

Detailed Probabilities of MET(94)-HG2:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.71 1.00
ASP95 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG3 1.00
M94HE1 1.00
M94H 1.00
M94HG2 1.00
D95H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.004 1.00 0.45
MET94 HB2 1.00 0.140 0.00 0.00
MET94 HB3 1.00 0.141 0.00 0.00
MET94 HG2 1.00 0.012 1.00 6.65
MET94 HG3 1.00 0.002 1.00 1.86
MET94 HE1 1.00 0.001 1.00 0.14
MET94 H 1.00 0.005 1.00 -892467.00
ASP95 H 0.97 0.003 1.00 -146235.00

Detailed Probabilities of MET(94)-HG3:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
M94HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG2 1.00
M94HE1 1.00
M94H 1.00
M94HG3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HA 1.00 0.003 1.00 0.32
MET94 HB2 1.00 0.002 1.00 0.21
MET94 HB3 1.00 0.001 1.00 0.21
MET94 HG2 1.00 0.000 1.00 1.92
MET94 HG3 1.00 0.002 1.00 3.04
MET94 HE1 1.00 0.126 0.00 0.00
MET94 H 1.00 0.003 1.00 -885392.00

Detailed Probabilities of MET(94)-HE1:

Overall probability: 0.513
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET94 0.51 1.00

Expected NOESY Contacts
Proton Expected probability
M94HB2 0.96
M94HB3 0.97
M94HG2 1.00
M94HG3 1.00
M94HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET94 HB2 0.96 0.076 0.04 0.00
MET94 HB3 0.97 0.641 0.03 0.00
MET94 HG2 1.00 0.028 1.00 3.95
MET94 HG3 1.00 0.004 1.00 0.60
MET94 HE1 1.00 0.501 0.00 0.00
MET94 HA 0.67 0.004 1.00 0.85

Detailed Probabilities of MET(94)-H:

Overall probability: 0.836
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE93 0.81 1.00
MET94 1.00 1.00
ASP95 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
I93HG12 0.97
I93H 1.00
I93HG21 0.98
I93HB 1.00
I93HA 1.00
M94HA 1.00
M94HB2 1.00
M94HB3 1.00
M94HG2 1.00
M94HG3 1.00
M94H 1.00
D95H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE93 HA 1.00 0.005 1.00 0.22
ILE93 HB 1.00 0.007 1.00 0.30
ILE93 HG12 0.97 0.382 0.03 0.00
ILE93 HG21 0.98 0.001 1.00 0.38
ILE93 H 1.00 0.006 1.00 -923181.00
MET94 HA 1.00 0.006 1.00 0.70
MET94 HB2 1.00 0.030 1.00 0.00
MET94 HB3 1.00 0.012 1.00 0.27
MET94 HG2 1.00 0.008 1.00 0.32
MET94 HG3 1.00 0.006 1.00 0.27
MET94 H 1.00 0.005 1.00 -10772325.00
ASP95 H 1.00 0.069 0.00 0.00