ARECA's report on VAL104

Residue probability: 0.779
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 175.132 175.682 2.367 0.000 0.000
CA 60.271 62.613 4.828 0.556 1.000
CB 35.104 32.918 4.591 1.000 1.000
CG1 21.491 21.563 2.746 0.172 1.000
CG2 20.796 21.368 2.801 0.940 1.000
N 113.997 121.057 5.832 1.000 1.000
HA 4.918 4.178 0.599 0.667 1.000
HB 2.095 1.980 0.322 1.000 1.000
HG1 1.032 0.816 0.264 0.814 1.000
HG2 0.998 0.803 0.504 0.800 1.000
H 7.758 8.311 0.669 0.846 1.000

[Back]

Detailed Probabilities of VAL(104)-CA:

Overall probability: 0.556
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU103 0.50 1.00
VAL104 0.80 1.00
THR105 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L103HA 1.00
V104HG11 1.00
V104HG21 1.00
V104H 1.00
V104HB 1.00
V104HA 1.00
T105H 1.00
T105HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU103 HA 1.00 0.148 0.00 0.00
LEU103 HB2 0.59 0.010 1.00 0.15
VAL104 HA 1.00 0.016 1.00 5.02
VAL104 HB 1.00 0.015 1.00 0.39
VAL104 HG11 1.00 0.005 1.00 1.04
VAL104 HG21 1.00 0.029 1.00 1.04
VAL104 H 1.00 0.062 0.00 0.00
THR105 HA 1.00 0.069 0.00 0.00
THR105 H 1.00 0.094 0.00 0.00

Detailed Probabilities of VAL(104)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL104 1.00 1.00
THR105 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V104HA 1.00
V104HG11 1.00
V104HG21 1.00
V104H 1.00
V104HB 1.00
T105H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL104 HA 1.00 0.008 1.00 0.53
VAL104 HB 1.00 0.003 1.00 19.45
VAL104 HG11 1.00 0.012 1.00 3.14
VAL104 HG21 1.00 0.022 1.00 3.14
VAL104 H 1.00 0.001 1.00 0.96
THR105 H 1.00 0.001 1.00 0.34
THR105 HA 0.79 0.018 1.00 0.06

Detailed Probabilities of VAL(104)-CG1:

Overall probability: 0.172
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL104 0.20 1.00
THR105 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
V104HA 1.00
V104HG12 1.00
V104HG21 1.00
V104H 1.00
V104HB 1.00
T105H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL104 HA 1.00 0.426 0.00 0.00
VAL104 HB 1.00 0.009 1.00 4.79
VAL104 HG11 1.00 0.187 0.00 0.00
VAL104 HG21 1.00 0.153 0.00 0.00
VAL104 H 1.00 0.281 0.00 0.00
THR105 H 0.97 0.110 0.03 0.00

Detailed Probabilities of VAL(104)-CG2:

Overall probability: 0.940
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL104 0.94 1.00

Expected NOESY Contacts
Proton Expected probability
V104HA 1.00
V104HG11 1.00
V104HG22 1.00
V104H 1.00
V104HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL104 HA 1.00 0.008 1.00 0.83
VAL104 HB 1.00 0.004 1.00 2.21
VAL104 HG11 1.00 0.033 0.70 0.00
VAL104 HG21 1.00 0.001 1.00 102.88
VAL104 H 1.00 0.002 1.00 0.86

Detailed Probabilities of VAL(104)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU103 1.00 1.00
VAL104 1.00 1.00
THR105 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L103HA 1.00
L103H 1.00
L103HB3 1.00
L103HG 0.98
L103HB2 1.00
V104HA 1.00
V104HG11 1.00
V104HG21 1.00
V104HB 1.00
V104H 1.00
T105H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU103 HA 1.00 0.001 1.00 -579555.00
LEU103 HB2 1.00 0.006 1.00 -1000078.00
LEU103 HB3 1.00 0.003 1.00 -961740.00
LEU103 HG 0.98 0.016 1.00 -961740.00
LEU103 H 1.00 0.001 1.00 -1951678.00
LEU103 HD11 0.55 0.018 1.00 -327340.00
LEU103 HD21 0.58 0.012 1.00 -327340.00
VAL104 HA 1.00 0.010 1.00 -746382.00
VAL104 HB 1.00 0.007 1.00 -1665268.00
VAL104 HG11 1.00 0.028 1.00 -1494884.00
VAL104 HG21 1.00 0.006 1.00 -1494884.00
VAL104 H 1.00 0.001 1.00 -21124306.00
THR105 H 1.00 0.003 1.00 -208312.00

Detailed Probabilities of VAL(104)-HA:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU103 0.50 1.00
VAL104 0.80 1.00
THR105 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L103HA 1.00
V104HG11 1.00
V104HG21 1.00
V104H 1.00
V104HB 1.00
V104HA 1.00
T105H 1.00
T105HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU103 HA 1.00 0.407 0.00 0.00
LEU103 H 0.92 0.017 1.00 -81801.00
VAL104 HA 1.00 0.016 1.00 5.02
VAL104 HB 1.00 0.008 1.00 0.53
VAL104 HG11 1.00 0.426 0.00 0.00
VAL104 HG21 1.00 0.008 1.00 0.83
VAL104 H 1.00 0.010 1.00 -746382.00
THR105 HA 1.00 0.099 0.00 0.00
THR105 H 1.00 0.010 1.00 -2603232.00

Detailed Probabilities of VAL(104)-HB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL104 1.00 1.00
THR105 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V104HA 1.00
V104HG11 1.00
V104HG21 1.00
V104H 1.00
V104HB 1.00
T105H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL104 HA 1.00 0.015 1.00 0.39
VAL104 HB 1.00 0.003 1.00 19.45
VAL104 HG11 1.00 0.009 1.00 4.79
VAL104 HG21 1.00 0.004 1.00 2.21
VAL104 H 1.00 0.007 1.00 -1665268.00
THR105 H 1.00 0.010 1.00 -699960.00
THR105 HA 0.79 0.013 1.00 0.19

Detailed Probabilities of VAL(104)-HG11:

Overall probability: 0.814
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL104 0.74 1.00
THR105 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V104HA 1.00
V104HG12 1.00
V104HG21 1.00
V104H 1.00
V104HB 1.00
T105H 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL104 HA 1.00 0.005 1.00 1.04
VAL104 HB 1.00 0.012 1.00 3.14
VAL104 HG11 1.00 0.187 0.00 0.00
VAL104 HG21 1.00 0.033 0.70 0.00
VAL104 H 1.00 0.028 1.00 -1494884.00
THR105 H 0.97 0.007 1.00 -1485031.00
THR105 HA 0.52 0.008 1.00 0.22

Detailed Probabilities of VAL(104)-HG21:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL104 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
V104HA 1.00
V104HG11 1.00
V104HG22 1.00
V104H 1.00
V104HB 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL104 HA 1.00 0.029 1.00 1.04
VAL104 HB 1.00 0.022 1.00 3.14
VAL104 HG11 1.00 0.153 0.00 0.00
VAL104 HG21 1.00 0.001 1.00 102.88
VAL104 H 1.00 0.006 1.00 -1494884.00

Detailed Probabilities of VAL(104)-H:

Overall probability: 0.846
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU103 1.00 1.00
VAL104 0.60 1.00
THR105 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L103HA 1.00
L103H 1.00
L103HB3 1.00
L103HG 0.98
L103HB2 1.00
V104HA 1.00
V104HG11 1.00
V104HG21 1.00
V104HB 1.00
V104H 1.00
T105H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU103 HA 1.00 0.007 1.00 0.66
LEU103 HB2 1.00 0.001 1.00 0.52
LEU103 HB3 1.00 0.002 1.00 0.47
LEU103 HG 0.98 0.002 1.00 0.18
LEU103 H 1.00 0.001 1.00 -2261419.00
LEU103 HD11 0.55 0.017 1.00 0.14
LEU103 HD21 0.58 0.009 1.00 0.14
VAL104 HA 1.00 0.062 0.00 0.00
VAL104 HB 1.00 0.001 1.00 0.96
VAL104 HG11 1.00 0.281 0.00 0.00
VAL104 HG21 1.00 0.002 1.00 0.86
VAL104 H 1.00 0.001 1.00 -21124306.00
THR105 H 1.00 0.006 1.00 -307071.00