Table 1.
1JNC’ | 1JNCa | 2JNCa | 1DNC’ | 1DNC’ | 1DNCa | 1DNCa | |
---|---|---|---|---|---|---|---|
L3 | −14.98±0.01 | −10.07±0.06 | −8.12±0.07 | 0.51±0.02 | * | −0.34±0.13 | * |
F4 | −14.78±0.02 | −10.38±0.08 | −6.73±0.07 | −0.66±0.04 | * | 0.13±0.17 | * |
S6 | −14.89±0.02 | −10.54±0.10 | −7.03±0.08 | 0.17±0.06 | * | −1.14±0.21 | * |
L8 | −14.96±0.02 | −9.88±0.13 | −6.42±0.09 | −0.88±0.04 | * | 0.73±0.27 | * |
F9 | −14.43±0.02 | −10.32±0.12 | −6.67±0.10 | 0.09±0.05 | * | 0.21±0.26 | * |
S10 | −14.93±0.02 | −10.73±0.12 | −7.33±0.14 | 0.64±0.08 | * | −0.50±0.35 | * |
N11 | −15.27±0.02 | −10.72±0.09 | −6.39±0.06 | −0.08±0.03 | * | 0.25±0.19 | * |
L12 | −15.44±0.02 | −10.02±0.11 | −6.80±0.11 | −0.44±0.04 | * | 0.66±0.22 | * |
F13 | −14.95±0.02 | −10.70±0.12 | 6.85±0.10 | 0.15±0.05 | * | −0.02±0.24 | * |
G14 | −15.98±0.02 | −11.89±0.07 | −7.00±0.05 | 0.62±0.04 | * | −0.60±0.14 | * |
N15 | −15.46±0.01 | −11.93±0.04 | −8.87±0.04 | −0.17±0.02 | * | −0.92±0.06 | * |
R19 | −14.44±0.03 | −10.40±0.15 | −8.97±0.17 | 1.07±0.10 | 1.05 | −0.43±0.35 | −0.36 |
I20 | −14.97±0.05 | −11.08±0.23 | −8.29±0.21 | −1.08±0.26 | −0.89 | - | - |
M22 | −14.30±0.11 | −9.59±0.38 | −9.59±0.39 | - | - | −2.30±0.78 | −1.34 |
G24 | −15.34±0.21 | - | - | - | - | - | - |
L25 | −16.22±0.16 | −12.01±0.58 | −9.81±0.60 | - | - | - | - |
G27 | −14.99±0.04 | −10.70±0.28 | −9.75±0.31 | 0.97±0.17 | 0.68 | 0.70±0.61 | 0.03 |
A28 | −15.49±0.03 | −10.01±0.19 | −6.35±0.14 | −1.39±0.15 | −0.98 | - | - |
G29 | −15.19±0.30 | - | - | - | - | - | - |
K30 | −14.70±0.71 | - | - | - | - | - | - |
T31 | −14.96±0.09 | −10.85±0.32 | −6.64±0.24 | 0.14±0.41 | 0.24 | - | - |
V33 | −15.11±0.07 | −10.24±0.75 | −5.76±0.27 | 0.11±0.17 | 0.33 | 0.04±1.29 | −0.55 |
Y35 | −14.45±0.07 | −10.98±0.33 | −6.59±0.24 | −1.03±0.28 | −0.77 | - | - |
K36 | −15.47±0.06 | −10.63±0.52 | −6.37±0.35 | −0.05±0.19 | −0.1 | - | - |
L37 | −14.30±0.05 | −10.62±0.27 | −6.96±0.23 | 0.55±0.24 | 0.27 | - | - |
L39 | −14.84±0.09 | −9.99±0.42 | −6.63±0.41 | - | - | 0.23±1.67 | 0.51 |
G40 | −15.34±0.06 | −10.68±0.29 | −6.32±0.20 | 0.30±0.18 | 0.17 | - | - |
E41 | −16.87±0.03 | −12.58±0.56 | −6.55±0.22 | 0.71±0.08 | 0.69 | −4.27±1.03 | −1.49# |
I43 | −14.90±0.01 | −11.41±0.05 | −7.77±0.05 | 1.06±0.04 | 0.95 | 0.36±0.12 | 1.1 |
T44 | −14.59±0.01 | −11.24±0.06 | −8.74±0.07 | 0.41±0.04 | 0.17 | −0.25±0.14 | −0.36 |
I46 | −15.61±0.02 | −11.97±0.08 | −8.59±0.08 | 0.75±0.09 | 0.91 | 0.35±0.24 | 0.22 |
T48 | −15.76±0.05 | −10.39±0.31 | −10.38±0.36 | −0.33±0.22 | −0.91 | - | - |
I49 | −14.76±0.03 | −9.51±0.17 | −7.89±0.22 | 1.19±0.74 | 0.81 | 0.81±0.40 | 0.89 |
G50 | −14.86±0.24 | −10.44±0.51 | −6.28±0.38 | - | - | - | - |
F51 | −15.64±0.03 | −12.82±0.07 | −8.89±0.08 | −1.08±0.10 | −0.19 | 0.54±0.23 | 0.72 |
N52 | −15.34±0.03 | −11.77±0.16 | −9.66±0.20 | 1.22±0.13 | 1.23 | −0.35±0.40 | 0.47 |
T55 | −15.44±0.02 | −11.55±0.09 | −9.06±0.11 | −0.22±0.07 | −0.92 | −0.06±0.26 | −0.06 |
V56 | −14.73±0.02 | −10.75±0.12 | −8.43±0.13 | 0.92±0.07 | 0.58 | 1.02±0.31 | 0.83 |
Q57 | −14.45±0.02 | −11.15±0.09 | −8.61±0.10 | 0.92±0.07 | 0.64 | −0.56±0.19 | −0.23 |
Y58 | −14.72±0.03 | −10.08±0.27 | −8.96±0.31 | 0.41±0.10 | 0.39 | 0.93±0.49 | 0.72 |
K59 | −14.84±0.02 | −10.05±0.11 | −8.12±0.13 | 1.33±0.07 | 1.2 | −0.75±0.22 | −0.36 |
I61 | −17.02±0.05 | −10.88±0.22 | −6.71±0.17 | −1.82±0.20 | −0.92 | 0.73±0.76 | 0.86 |
S62 | −13.94±0.02 | −10.53±0.11 | −9.05±0.12 | 1.02±0.08 | 0.91 | 0.33±0.28 | 0.29 |
F63 | −14.56±0.03 | −10.94±0.12 | −8.29±0.14 | −1.76±0.16 | −1.69 | 0.31±0.51 | 0.13 |
T64 | −14.06±0.02 | −10.35±0.11 | −8.63±0.14 | 1.28±0.08 | 1.13 | 0.81±0.37 | 0.56 |
D67 | −14.24±0.03 | −9.44±0.21 | −9.36±0.24 | −0.26±0.10 | −0.41 | −1.59±0.57 | −1.77 |
V68 | −16.47±0.05 | −11.74±0.17 | −7.69±0.14 | 1.07±0.14 | 0.41 | 0.50±0.44 | 0.91 |
G69 | −13.76±0.08 | - | - | 0.16±0.26 | 0.31 | - | - |
G70 | −14.26±0.35 | - | - | - | - | - | - |
Q71 | −15.71±0.12 | −11.67±0.56 | −6.70±0.29 | 0.384±0.35 | 0.45 | - | - |
D72 | −14.44±0.09 | −10.35±0.37 | −8.97±0.50 | −0.62±0.30 | −0.81 | −0.05±1.24 | 0.61 |
R73 | −14.47±0.12 | −10.94±0.94 | −7.23±0.61 | 0.79±0.38 | 0.43 | - | - |
S76 | −14.86±0.10 | −10.40±0.29 | −6.40±0.26 | - | - | −1.52±0.90 | −0.89 |
R79 | −14.89±0.23 | - | - | - | - | - | - |
H80 | −14.51±0.12 | −11.31±0.98 | −6.11±0.73 | - | - | - | - |
Y81 | −15.72±0.17 | −10.63±0.46 | −6.55±0.33 | - | - | - | - |
Y82 | −15.23±0.08 | −10.40±0.45 | −6.56±0.43 | - | - | 1.41±1.30 | 0.65 |
N84 | −15.39±0.02 | −11.57±0.10 | −8.19±0.10 | - | - | - | - |
T85 | −16.12±0.10 | - | - | −2.06±0.28 | −1.7 | - | - |
E86 | −14.87±0.06 | −10.85±0.22 | −7.97±0.24 | 0.93±0.23 | 1.13 | - | - |
G87 | −15.85±0.11 | −12.57±0.26 | −7.52±0.25 | −1.45±0.41 | −0.85 | - | - |
V91 | −14.53±0.11 | −10.64±0.60 | −8.41±0.60 | −0.33±0.26 | −0.01 | −0.82±1.07 | −0.76 |
D93 | −14.06±0.07 | −9.88±0.26 | −7.71±0.19 | −0.39±0.25 | −0.83 | - | - |
N95 | −15.46±0.08 | −11.23±0.28 | −6.87±0.25 | 0.30±0.39 | 0.04 | - | - |
D96 | −15.17±0.05 | −9.49±0.22 | −6.63±0.23 | 0.28±0.22 | 0.15 | 0.12±0.78 | 0.75 |
R97 | −14.56±0.03 | −10.04±0.15 | −7.93±0.16 | −1.18±0.09 | −0.73 | - | - |
S98 | −15.29±0.04 | −10.06±0.19 | −6.41±0.14 | 0.19±0.19 | −0.03 | 0.38±0.99 | 0.92 |
R99 | −15.47±0.04 | −10.05±0.29 | −5.88±0.19 | −1.08±0.18 | −0.91 | −0.99±1.42 | −1.08 |
I100 | −14.79±0.04 | −10.22±0.24 | −6.14±0.16 | 1.15±0.16 | 1.01 | −0.28±0.95 | −0.73 |
G101 | −14.82±0.05 | −10.69±0.26 | −6.59±0.19 | −0.07±0.18 | −0.2 | 0.21±1.04 | 0.26 |
E102 | −15.39±0.04 | −10.79±0.18 | −7.23±0.19 | 0.44±0.11 | 0.31 | 0.38±0.53 | 0.33 |
R104 | −14.78±0.06 | −10.57±0.18 | −7.22±0.19 | - | - | 0.19±0.67 | −0.1 |
E105 | −14.80±0.05 | −9.53±0.20 | −6.18±0.15 | −0.15±0.19 | 0.07 | - | - |
V106 | −15.15±0.04 | −10.30±0.20 | −6.98±0.16 | 0.61±0.11 | 0.49 | −1.35±0.55 | −0.36 |
Q108 | −14.70±0.05 | −10.57±0.26 | −7.09±0.29 | −0.26±0.17 | −0.29 | - | - |
R109 | −14.55±0.06 | −10.51±0.26 | −7.13±0.26 | 0.87±0.23 | 0.33 | 1.12±0.74 | 0.64 |
M110 | −15.12±0.08 | −10.81±0.52 | −7.72±0.62 | 1.94±0.45 | 0.92 | - | - |
L111 | −14.38±0.19 | - | - | - | - | - | - |
N112 | −14.59±0.65 | −11.14±0.24 | −6.76±0.19 | −1.80±0.79 | 0.40# | −0.06±0.50 | 0.38 |
E113 | −16.15±0.03 | −10.91±0.11 | −6.55±0.08 | 0.54±0.08 | 0.34 | −0.22±0.33 | −0.56 |
D114 | −14.45±0.04 | −9.15±0.16 | −9.14±0.18 | 0.14±0.12 | −0.03 | −2.64±0.37 | −1.44 |
E115 | −14.22±0.06 | −10.14±0.33 | −6.77±0.31 | 0.44±0.28 | 0.54 | - | - |
L116 | −15.54±0.07 | −10.93±0.55 | −7.87±0.53 | −0.66±0.30 | −1.02 | 0.03±1.39 | 0.71 |
R117 | −15.25±0.08 | - | - | - | - | - | - |
N118 | −15.26±0.11 | −10.70±0.25 | −6.65±0.17 | - | - | 1.13±1.69 | 0.45 |
A119 | −16.19±0.03 | −11.62±0.15 | −6.59±0.09 | −1.35±0.15 | −0.64 | 1.18±0.67 | 0.02 |
A120 | −15.16±0.29 | - | - | - | - | - | - |
W121 | −16.42±0.41 | - | - | - | - | - | - |
F124 | −13.34±0.17 | −9.54±0.74 | −8.35±0.90 | - | - | - | - |
A125 | −13.15±0.09 | −8.29±0.38 | −8.26±0.35 | −0.24±0.25 | 0.51 | −2.14±0.84 | −1.73 |
N126 | −14.87±0.04 | −12.77±0.11 | −8.84±0.12 | 1.00±0.15 | 0.77 | −0.04±0.33 | 0.51 |
K127 | −15.27±0.04 | −9.98±0.26 | −8.28±0.32 | - | - | - | - |
Q128 | −14.33±0.09 | −10.16±0.36 | −7.24±0.36 | −0.84±0.36 | 0.06 | - | - |
D129 | −16.08±0.06 | −10.06±0.30 | −6.59±0.27 | 0.21±0.26 | 0.47 | - | - |
L130 | −16.09±0.03 | −11.98±0.16 | −6.35±0.09 | 0.88±0.11 | 1.09 | −0.70±1.40 | −1.35 |
E132 | −15.35±0.03 | −10.40±0.16 | −6.92±0.15 | 1.19±0.11 | 1.26 | 1.20±0.49 | 0.72 |
A133 | −16.14±0.03 | −11.91±0.85 | −6.11±0.43 | −1.19±0.11 | −1.03 | −2.35±1.29 | −1.61 |
M134 | −15.51±0.01 | −11.26±0.08 | −9.02±0.09 | 0.53±0.07 | 0.64 | −0.01±0.26 | 0.34 |
S135 | −15.14±0.02 | −12.79±0.06 | −9.40±0.07 | 0.69±0.12 | 0.88 | - | - |
A136 | −14.05±0.02 | −10.23±0.10 | −8.39±0.12 | −1.22±0.12 | −1.17 | −0.87±0.34 | −1.23 |
A137 | −15.19±0.03 | −9.75±0.17 | −6.22±0.14 | - | - | - | - |
I139 | −14.66±0.04 | −10.26±0.24 | −6.63±0.20 | −0.09±0.16 | −0.2 | 0.80±1.06 | 0.48 |
E141 | −15.11±0.03 | −10.43±0.22 | −6.31±0.14 | −1.27±0.10 | −1.18 | 0.36±0.68 | 0.28 |
K142 | −14.86±0.03 | −10.02±0.21 | −6.25±0.16 | 0.02±0.13 | 0.04 | - | - |
L143 | −15.19±0.06 | −10.40±0.22 | −6.39±0.15 | −1.11±0.24 | −1.34 | −1.05±1.03 | −0.67 |
G144 | −15.22±0.03 | −10.96±0.16 | −6.92±0.14 | 0.13±0.13 | 0.64 | −0.16±0.48 | −0.04 |
L145 | - | −9.54±0.16 | −6.15±0.11 | - | - | - | - |
H146 | −13.97±0.05 | −10.75±0.22 | −6.89±0.21 | −0.26±0.20 | −0.03 | −0.43±0.96 | 0.46 |
I148 | −16.46±0.03 | −10.52±0.19 | −6.11±0.12 | 0.59±0.09 | 0.21 | −1.74±0.87 | −0.92 |
R149 | −14.33±0.02 | −11.00±0.09 | −8.19±0.09 | −0.18±0.07 | −0.02 | −0.78±0.22 | −1.2 |
R151 | −17.30±0.02 | −12.57±0.06 | −6.65±0.03 | 0.12±0.06 | −0.31 | 0.28±0.28 | 0.55 |
I155 | −15.28±0.02 | −11.35±0.09 | −8.32±0.10 | −0.44±0.08 | −0.59 | −1.15±0.25 | −1.14 |
A157 | −14.26±0.03 | −10.50±0.16 | −8.54±0.16 | 0.43±0.59 | 0.07 | −1.39±0.34 | −1.32 |
T158 | - | −12.61±0.11 | −9.17±0.15 | - | - | - | - |
A160 | −14.74±0.04 | −9.44±0.24 | −7.38±0.24 | - | - | 0.17±0.61 | −0.02 |
T161 | −14.71±0.10 | −10.49±0.31 | −6.93±0.25 | - | - | −1.01±1.59 | 0.27 |
S162 | −15.19±0.05 | −10.82±0.31 | −6.37±0.21 | 0.46±0.23 | 0.78 | - | - |
G163 | −15.96±0.12 | −10.30±0.18 | −5.95±0.12 | 0.22±0.63 | 0.48 | - | - |
E164 | −16.88±0.05 | −12.17±0.20 | −7.12±0.15 | −0.78±0.29 | −0.86 | 2.21±0.90 | 0.99 |
G165 | −15.03±0.02 | −9.91±0.11 | −9.90±0.13 | −0.74±0.07 | −0.76 | −0.43±0.39 | 0.16 |
L166 | −14.87±0.03 | −10.65±0.14 | −7.42±0.15 | 0.60±0.10 | 0.47 | 0.55±0.40 | −0.3 |
Y167 | −14.13±0.06 | −10.42±0.22 | −6.80±0.19 | 1.27±0.43 | 0.99 | −1.17±1.12 | −1.46 |
E168 | −15.11±0.05 | −9.88±0.31 | −7.37±0.49 | −0.43±0.24 | −0.75 | 1.06±0.93 | 0.74 |
G169 | −15.30±0.06 | −11.22±0.25 | −7.07±0.25 | 0.76±0.24 | 0.35 | - | - |
L170 | −14.87±0.05 | −10.06±0.22 | −7.47±0.26 | 0.00±0.15 | 0.27 | −1.31±0.58 | −1.38 |
W172 | −15.01±0.04 | −9.79±0.24 | −6.96±0.24 | −1.33±0.32 | −0.77 | - | - |
S174 | −14.76±0.05 | −10.59±0.26 | −7.50±0.37 | −0.36±0.53 | 0.77# | - | - |
N175 | −15.39±0.03 | −10.95±0.19 | −6.38±0.12 | 0.02±0.17 | 0.36 | - | - |
S176 | −15.67±0.04 | −10.76±0.14 | −6.93±0.12 | 0.20±0.20 | −0.18 | 1.48±0.76 | 0.64 |
L177 | −15.67±0.01 | −10.63±0.09 | −6.07±0.05 | 0.10±0.04 | 0.43 | −0.12±0.26 | 0 |
K178 | −15.05±0.01 | −10.50±0.05 | −6.81±0.04 | 1.10±0.02 | 1.27 | −0.61±0.10 | −0.95 |
N179 | −15.02±0.01 | −10.93±0.03 | −7.36±0.03 | −0.46±0.01 | * | −0.01±0.06 | * |
S180 | −15.70±0.01 | −11.39±0.02 | −7.81±0.02 | 0.32±0.01 | * | 0.42±0.04 | * |
back-calculated RDC values unavailable for the N-terminal residues due to their absence in the crystal structure, and the very C-terminal residues which are flexible and therefore excluded from fitting.
Data unavailable due to poor multiple-point fitting by Eq(2). For the isotropic measurement, fitting quality is deemed “poor” if the Monte Carlo simulation error is greater than 1Hz. RDCs with errors over 2Hz are deemed “poor” and excluded.
RDC data excluded from Figure 3 due to significant deviation from back calculated values.