| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 39 | Very low | 247 Ų | 247 | 125.7 Ų | 125.7 | 100% | 1.217 | 86% | 0.86 | S | S | * | * | 0 | 163.1 | 0 | -65.5 | -168.7 | 78.3 | 0 | 0 | 108.7 | |||||
| 2 | G | 41.5 | Very low | 38.5 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 85% | 0.851 | S | S | * | * | trans | 91.3 | 111.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | S | 45.1 | Very low | 38.2 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | cis | 72.5 | 127.6 | 15.6 | -136.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4 | V | 42.1 | Very low | 37.7 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | cis | -155.6 | 172.4 | -6.5 | -110.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | G | 36 | Very low | 37.4 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -144 | 132.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 6 | S | 43 | Very low | 37.1 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 45.7 | 131 | 135.5 | -154.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 7 | G | 38.2 | Very low | 37.1 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | 88.9 | 164 | 141 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 8 | V | 35.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | cis | -156.7 | 171.3 | -15.3 | 116.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | A | 40.3 | Very low | 36.7 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -88.7 | 158.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 10 | G | 32.3 | Very low | 36.5 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 131.6 | 121.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 11 | E | 37.8 | Very low | 36.5 | Very low | 208 Ų | 208 | 130.9 Ų | 130.9 | 97% | 0.972 | 82% | 0.815 | S | S | * | * | trans | -142.8 | 150.5 | 166 | -74.8 | -162.3 | 136.8 | 0 | 0 | 111.9 | ||||
| 12 | Q | 33.2 | Very low | 36.4 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -150.4 | 142.1 | -179.3 | 167.8 | -179.9 | -23.4 | 0 | 0 | 109.7 | ||||
| 13 | E | 35 | Very low | 36.2 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | 59.8 | 137.5 | 168.4 | -80.6 | 177.8 | 93 | 0 | 0 | 119.1 | ||||
| 14 | F | 30.8 | Very low | 35.6 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | -164.4 | 172.8 | 99 | -114.7 | -85.5 | 0 | 0 | 0 | 110.4 | |||||
| 15 | A | 33.5 | Very low | 35.3 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | -138.2 | 179 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 16 | M | 32.3 | Very low | 35.9 | Very low | 145 Ų | 145 | 138 Ų | 138 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | 97.3 | 115 | 153.6 | -62.4 | 159.2 | 58.8 | 0 | 0 | 121.1 | ||||
| 17 | K | 37 | Very low | 35.5 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 73% | 0.726 | 81% | 0.808 | S | S | * | * | 75.6 | 94.2 | 123.6 | -63.2 | 176 | -172.5 | -176.9 | 0 | 122.2 | |||||
| 18 | S | 33.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | 67.8 | 147.8 | 107.4 | 76.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 19 | V | 33.3 | Very low | 36 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 81.6 | 130.4 | 157.5 | -176.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 20 | G | 31.9 | Very low | 36.2 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 131.7 | 75.7 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119 | R22 | G20-R22 PolarHBondContact O-N 3.29Š| ||
| 21 | T | 37.4 | Very low | 36.3 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 95% | 0.945 | 81% | 0.81 | S | S | * | * | trans | -78.7 | 113.6 | 162.5 | 35.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 22 | R | 35.2 | Very low | 36.2 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -144.9 | 139.1 | 172.5 | -168.3 | 170.9 | 177.1 | 178 | -1.1 | 112.1 | G20 | G20-R22 PolarHBondContact O-N 3.29Š| ||
| 23 | T | 37.1 | Very low | 36.3 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 135.5 | -174.5 | 36.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 24 | T | 33.2 | Very low | 36.2 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -147.3 | 136.4 | 163.9 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 25 | L | 34.5 | Very low | 36.4 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -80.8 | 149.7 | 172.5 | -67.7 | 162.4 | 0 | 0 | 0 | 111 | ||||
| 26 | P | 48.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | trans | -71.2 | 144.4 | 171.3 | 30.5 | -34.2 | 0 | 0 | 0 | 111.7 | ||||
| 27 | R | 35 | Very low | 36.8 | Very low | 243 Ų | 243 | 149 Ų | 149 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -114.7 | 139.4 | 179.4 | -179.6 | 177.6 | 175.3 | 125.4 | -4 | 109.8 | ||||
| 28 | A | 35.8 | Very low | 36.6 | Very low | 86 Ų | 86 | 148.3 Ų | 148.3 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 151 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 29 | P | 48.8 | Very low | 36.6 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 161.5 | -178.9 | 33.5 | -36.7 | 0 | 0 | 0 | 113.3 | ||
| 30 | P | 45.2 | Very low | 36.6 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 151 | 176.2 | 32.6 | -35 | 0 | 0 | 0 | 113 | ||
| 31 | L | 33.7 | Very low | 36.5 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 149.6 | 175.7 | -64.3 | 167.4 | 0 | 0 | 0 | 111.9 | ||
| 32 | S | 35.2 | Very low | 36.4 | Very low | 125 Ų | 125 | 153 Ų | 153 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -138.8 | 139.6 | 156.6 | -165.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | R | 36 | Very low | 36.3 | Very low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -98.4 | 137.8 | -170.9 | -72.8 | -178.3 | 169.7 | -153.6 | -1.3 | 112.3 | ||||
| 34 | R | 32.7 | Very low | 36 | Very low | 246 Ų | 246 | 149.1 Ų | 149.1 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -164.5 | 128.5 | 140.1 | -110.2 | 171.2 | -170.7 | -126.9 | 1.6 | 111.4 | ||||
| 35 | C | 34.1 | Very low | 35.9 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -101.6 | 163.5 | 159.7 | -48.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 36 | P | 43.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | -151.7 | 152.6 | 77.9 | 39.3 | -20.2 | 0 | 0 | 0 | 118.3 | |||||
| 37 | A | 32.3 | Very low | 36 | Very low | 85 Ų | 85 | 154 Ų | 154 | 70% | 0.702 | 83% | 0.832 | S | S | * | * | trans | 54.5 | 140.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 38 | D | 31.5 | Very low | 35.8 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | 76.6 | 112.5 | 139.8 | -59.2 | -11 | 0 | 0 | 0 | 125.7 | ||||
| 39 | R | 33.4 | Very low | 36.9 | Very low | 237 Ų | 237 | 154.6 Ų | 154.6 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | 165.6 | 124.1 | 128.3 | -89.1 | 164 | 179.5 | -164.5 | -1.9 | 109.6 | |||||
| 40 | S | 34.5 | Very low | 36.9 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | 68.6 | 131.3 | 71.3 | -63.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 41 | C | 30.3 | Very low | 36.2 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 75% | 0.75 | 83% | 0.828 | S | S | * | * | cis | -161.2 | 170.3 | 0.6 | -93.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 42 | S | 34 | Very low | 36.2 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | 23.5 | 171.8 | 144 | -51.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 43 | A | 33.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | cis | 174.8 | 123.9 | -45.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 44 | E | 30.4 | Very low | 35.5 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | trans | -158.8 | 143.8 | 164.5 | -91.6 | -178.8 | 128.1 | 0 | 0 | 107.3 | ||||
| 45 | R | 30.9 | Very low | 35.3 | Very low | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | cis | 118.8 | 131.7 | 12 | -174.9 | 166.5 | -88.1 | -108.2 | 3.7 | 111.3 | ||||
| 46 | L | 39.3 | Very low | 34.9 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -81.5 | 171 | -167.8 | -59.2 | 166.4 | 0 | 0 | 0 | 113.9 | ||||
| 47 | P | 46.3 | Very low | 34.3 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -139.2 | 174.7 | 100.1 | 38.7 | -26.7 | 0 | 0 | 0 | 117.2 | |||||
| 48 | R | 31.5 | Very low | 34.1 | Very low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -143.3 | 176.8 | 174.1 | -137 | -168.7 | 171.4 | -179.1 | -1.3 | 105.2 | ||||
| 49 | P | 57.3 | Low | 33.9 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | -120.7 | -118.7 | -10.2 | 32.3 | -6.9 | 0 | 0 | 0 | 109.4 | ||||
| 50 | P | 49.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -109.9 | -174.3 | 9.6 | 42.6 | -31.5 | 0 | 0 | 0 | 114.6 | ||||
| 51 | A | 31.1 | Very low | 33.7 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -127.9 | 166.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 52 | T | 32.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -128 | 156.1 | 171.4 | 46 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 53 | I | 29.8 | Very low | 33.7 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -136.2 | 141.5 | -172.9 | -57.1 | 162.4 | 0 | 0 | 0 | 106.8 | ||||
| 54 | S | 28.3 | Very low | 33.6 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 166.9 | 140.6 | 137 | -104.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 55 | D | 27.1 | Very low | 33.6 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 45.2 | 132.9 | 135.2 | -44.6 | -46.1 | 0 | 0 | 0 | 119.6 | ||||
| 56 | G | 27 | Very low | 33.5 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | 103.3 | 144.2 | 66.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 57 | T | 30 | Very low | 33 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | cis | -164.9 | 154.1 | 18.9 | -36.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 58 | A | 27.3 | Very low | 32.3 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 41.9 | 151.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 59 | S | 28.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 70.8 | 154.8 | 151.5 | -95.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 60 | S | 31 | Very low | 31 | Very low | 81 Ų | 81 | 120 Ų | 120 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | cis | -167.1 | 152.5 | -10 | -124.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 61 | D | 33.3 | Very low | 30.1 | Very low | 140 Ų | 140 | 117.2 Ų | 117.2 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 61.4 | 157 | 143 | -60 | -44.5 | 0 | 0 | 0 | 119.5 | ||||
| 62 | E | 31.6 | Very low | 30 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | cis | -165.4 | 175.6 | -8.9 | -117.9 | -102.7 | 71.6 | 0 | 0 | 110.6 | ||||
| 63 | R | 33.2 | Very low | 29.8 | Very low | 205 Ų | 205 | 117.4 Ų | 117.4 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | 62 | 109.9 | 157.4 | -70.9 | 149.3 | -148.2 | -161.8 | 5.9 | 121.5 | ||||
| 64 | G | 29.4 | Very low | 29.9 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | 66 | 166.4 | 100.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 65 | S | 30.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -170.7 | 153.7 | -6.7 | -101.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 66 | V | 30.2 | Very low | 30.2 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | 58.6 | 114.4 | 153.4 | 175.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 67 | S | 28.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | 74.7 | 86.5 | 51.5 | -56.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 68 | I | 31.6 | Very low | 30.4 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -141.1 | 137.5 | 148.8 | -54.4 | -179.4 | 0 | 0 | 0 | 106.7 | ||||
| 69 | G | 30.5 | Very low | 31.4 | Very low | 55 Ų | 55 | 122.8 Ų | 122.8 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | cis | 149.6 | 138.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 70 | T | 31.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 95% | 0.951 | 75% | 0.746 | S | S | * | * | trans | 57.7 | 138.4 | 169.8 | 53.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 71 | G | 29.3 | Very low | 31.5 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | cis | 162.3 | 168.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 72 | T | 30.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 54.7 | 105.8 | 162.4 | 41.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 73 | C | 27.8 | Very low | 31.3 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | 64.3 | 144.9 | 84.2 | 88.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 74 | T | 30.7 | Very low | 31.1 | Very low | 139 Ų | 139 | 120 Ų | 120 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | cis | -140.6 | -174.7 | 7.3 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 75 | G | 28.8 | Very low | 31.2 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 140.9 | 125.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 76 | T | 33.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -93 | 170 | -179.2 | 47.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 77 | D | 29.9 | Very low | 31.3 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 97.6 | 146.7 | 147.9 | -61.3 | -52.5 | 0 | 0 | 0 | 122.3 | ||||
| 78 | R | 31 | Very low | 31.6 | Very low | 233 Ų | 233 | 123.7 Ų | 123.7 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -96.9 | -170.7 | 179.1 | -130 | -176.8 | 147.2 | 176.2 | -6.8 | 107.3 | ||||
| 79 | P | 49.9 | Very low | 31.5 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | cis | -137.9 | -169.8 | -9.3 | 29.6 | -5.2 | 0 | 0 | 0 | 114.7 | ||||
| 80 | T | 31.6 | Very low | 31.5 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 65.2 | 153.2 | 146.8 | 36 | 0 | 0 | 0 | 0 | 119 | ||||
| 81 | E | 29.3 | Very low | 31.4 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | -162.2 | -177.6 | -21.3 | -147.9 | 166 | -122.8 | 0 | 0 | 109.4 | ||||
| 82 | T | 28.8 | Very low | 31.5 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | 62.2 | 122.7 | 155.9 | 47.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 83 | A | 30.9 | Very low | 31.6 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 65 | 161.1 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 84 | S | 30.4 | Very low | 31.7 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -153.2 | -179.1 | 6.6 | -153.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 85 | S | 31 | Very low | 32.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | -26.7 | 152.3 | 158.8 | -148.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 86 | T | 32.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | cis | -154.7 | 148.4 | 49.5 | 45 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 87 | H | 30.2 | Very low | 32.4 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 80.1 | 147.6 | 63.8 | -133 | -83.5 | 0 | 0 | 0 | 115.4 | |||||
| 88 | T | 34.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 78.4 | 146.6 | 178.9 | 73.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 89 | E | 30.5 | Very low | 32.4 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | cis | -158.7 | 179.1 | -24.2 | -120.5 | 177 | 142.8 | 0 | 0 | 113.1 | ||||
| 90 | C | 29.4 | Very low | 31.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | -29.1 | 155.2 | 173.1 | -57.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 91 | T | 29.2 | Very low | 31.2 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | -170.3 | 158.1 | 66.5 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 92 | M | 32.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -39.9 | 144.9 | 174.2 | -59.3 | -76.9 | -150.9 | 0 | 0 | 117.9 | ||||
| 93 | T | 31.5 | Very low | 31 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | -178.4 | 165.3 | 112.6 | 24.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 94 | A | 30.6 | Very low | 30.9 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -143.5 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 95 | P | 47.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | -144.1 | -162.7 | 16 | 40.3 | -17.5 | 0 | 0 | 0 | 116.4 | ||||
| 96 | S | 29.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 93.8 | 110.6 | 150.3 | -63 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 97 | N | 30.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 76.1 | 126.6 | 131.4 | -65 | 0.1 | 0 | 0 | 0 | 124.4 | ||||
| 98 | N | 29.8 | Very low | 30.3 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 74.6 | 97.4 | 142.5 | -66.5 | 3.5 | 0 | 0 | 0 | 122.1 | ||||
| 99 | N | 29.9 | Very low | 30 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 64.9 | 143.4 | 130.2 | -63.5 | 0.1 | 0 | 0 | 0 | 122.8 | ||||
| 100 | Q | 26.3 | Very low | 30.1 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 95 | 84.5 | 145.5 | -144.9 | 73.4 | 56.7 | 0 | 0 | 119.5 | ||||
| 101 | L | 31.3 | Very low | 29.9 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | 70.8 | 154.1 | 157.3 | -50.3 | 167.6 | 0 | 0 | 0 | 115.6 | ||||
| 102 | D | 27.3 | Very low | 29.8 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | cis | -147.4 | 172.5 | 1.3 | -163.9 | 13.1 | 0 | 0 | 0 | 112 | ||||
| 103 | C | 26.2 | Very low | 29.6 | Very low | 116 Ų | 116 | 145 Ų | 145 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -1.2 | 138.9 | 169.5 | -68.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 104 | G | 27.8 | Very low | 29.4 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -172.5 | 58.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 105 | N | 28.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 18.9 | 118.3 | 156.6 | -64.9 | -29.4 | 0 | 0 | 0 | 122.8 | ||||
| 106 | V | 27.1 | Very low | 28.4 | Very low | 152 Ų | 152 | 150 Ų | 150 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | -160.6 | 139.1 | 119.3 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 107 | A | 27.7 | Very low | 28.5 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | cis | 177.5 | 168.1 | -36.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 108 | V | 28.5 | Very low | 28.6 | Very low | 131 Ų | 131 | 147 Ų | 147 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 62.5 | 89.1 | 165 | -163 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 109 | R | 28.7 | Very low | 28.8 | Very low | 247 Ų | 247 | 148.6 Ų | 148.6 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | -141.9 | 121.7 | 124.5 | -161.7 | 169.9 | -69.8 | -144.5 | 1.7 | 108.4 | |||||
| 110 | R | 32.4 | Very low | 29.5 | Very low | 231 Ų | 231 | 148.8 Ų | 148.8 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -75.7 | 134.5 | 179.2 | -71.7 | -172.4 | 179.4 | 97.7 | 0.2 | 109.7 | ||||
| 111 | E | 25.2 | Very low | 30.6 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | -65.3 | 148.6 | 155.5 | -65.7 | 177.1 | 100.8 | 0 | 0 | 109.8 | ||||
| 112 | M | 28.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -133.7 | 107 | 147.6 | -169.5 | 167.2 | -176.9 | 0 | 0 | 107.6 | M114 | M112-M114 PolarHBondContact O-N 3.12Š| ||
| 113 | Q | 27.1 | Very low | 32.2 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | -69.7 | 111.2 | -176.1 | -167.4 | 175.1 | 34 | 0 | 0 | 109.4 | ||||
| 114 | M | 28.8 | Very low | 33.3 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 140.6 | 172.3 | -107.7 | -65.8 | 167.6 | 0 | 0 | 110.6 | M112 | M112-M114 PolarHBondContact O-N 3.12Š|
| 115 | Q | 28.5 | Very low | 33.8 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 149.4 | -163.5 | -68.3 | 164 | -15.2 | 0 | 0 | 112 | ||
| 116 | A | 28.3 | Very low | 34.2 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 117 | A | 31.1 | Very low | 34.5 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -118.1 | 136.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 118 | G | 32.4 | Very low | 34.7 | Very low | 83 Ų | 83 | 150.4 Ų | 150.4 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 119 | L | 34.8 | Very low | 34.8 | Very low | 169 Ų | 169 | 148 Ų | 148 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 137.6 | 166.6 | -68.1 | 170.7 | 0 | 0 | 0 | 109.3 | ||
| 120 | D | 44.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 154.9 | 169.5 | -130.2 | -29.4 | 0 | 0 | 0 | 110.9 | C122 G123 | D120-C122 PolarHBondContact O-N 2.79Å; D120-G123 PolarHBondContact O-N 3.28Å; D120-G123 VanDerWaalsContact O-N 3.14Å |
| 121 | V | 48.5 | Very low | 34.6 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 132.6 | -177.2 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 122 | C | 47.4 | Very low | 34.7 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | 15.4 | -170.1 | -52.9 | 0 | 0 | 0 | 0 | 117.2 | D120 N124 | D120-C122 PolarHBondContact O-N 2.79Å; C122-N124 PolarHBondContact O-N 3.42Å; C122-N124 PolarHBondContact O-ND2 2.98Å |
| 123 | G | 44.5 | Very low | 34.7 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | trans | 36.7 | 71.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | D120 | D120-G123 PolarHBondContact O-N 3.28Å; D120-G123 VanDerWaalsContact O-N 3.14Å | ||
| 124 | N | 50.1 | Low | 34.7 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -122.2 | 143.1 | 171.1 | -86 | -74.1 | 0 | 0 | 0 | 111.5 | C122 | C122-N124 PolarHBondContact O-N 3.42Å; C122-N124 PolarHBondContact O-ND2 2.98Å | ||
| 125 | I | 38.9 | Very low | 34.6 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | trans | -93 | 122 | -179.8 | -64.3 | 170.2 | 0 | 0 | 0 | 109.8 | ||||
| 126 | V | 36.5 | Very low | 34.6 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -107.4 | 95.5 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | R128 | V126-R128 PolarHBondContact O-N 3.1Š| ||
| 127 | G | 31.7 | Very low | 34.5 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -78.3 | 110.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 128 | R | 33.8 | Very low | 34.5 | Very low | 229 Ų | 229 | 130 Ų | 130 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -97 | 117.9 | 165.5 | -94.2 | -173.8 | 171 | -91.3 | 0.4 | 110.2 | V126 | V126-R128 PolarHBondContact O-N 3.1Š|
| 129 | G | 29.4 | Very low | 34.3 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 153.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 130 | V | 29.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -90 | 137.9 | -177.3 | 175 | 0 | 0 | 0 | 0 | 110.7 | ||
| 131 | S | 26.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -153.2 | 127.2 | 139.4 | -160.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 132 | E | 27.7 | Very low | 32.6 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -12.6 | 146.5 | 168.7 | -58.2 | 175.5 | 132.5 | 0 | 0 | 121 | ||||
| 133 | K | 29 | Very low | 31.5 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -132.2 | 135.8 | 155.3 | -82.7 | -173.9 | 174.4 | -177.9 | 0 | 108.7 | ||||
| 134 | T | 26.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -123.6 | 121.4 | 175.2 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 135 | S | 26.6 | Very low | 29.9 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | 49.1 | 120.1 | 158.3 | 65.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 136 | V | 28.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | 65.5 | 138.7 | 127 | -179 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 137 | G | 27.1 | Very low | 29.4 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 172.1 | 20.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 138 | V | 30.7 | Very low | 29.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | 8.1 | 129 | 160.6 | 176.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 139 | N | 29.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | trans | 91.3 | 136.4 | 149.6 | -91.9 | -31.7 | 0 | 0 | 0 | 123.5 | ||||
| 140 | H | 31.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 69.2 | 145 | 143.3 | -81.6 | 53.6 | 0 | 0 | 0 | 119.6 | ||||
| 141 | H | 27.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 137 Ų | 137 | 61% | 0.611 | 73% | 0.728 | S | S | * | * | cis | -167.7 | 158.3 | -23.6 | -155.8 | 34.4 | 0 | 0 | 0 | 108.7 | ||||
| 142 | Q | 32 | Very low | 30 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | 58.1 | 145.9 | 157.6 | -77.8 | 178.4 | 31.5 | 0 | 0 | 118.4 | ||||
| 143 | H | 25.4 | Very low | 30.2 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | cis | 168.5 | 161.7 | 4 | 178.3 | -125.3 | 0 | 0 | 0 | 106.3 | ||||
| 144 | R | 31.9 | Very low | 30.5 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | trans | 74.8 | 117.4 | 161.2 | -95.4 | -174 | 151.1 | 107.4 | 27.3 | 122.8 | ||||
| 145 | E | 28 | Very low | 30.9 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 59% | 0.593 | 71% | 0.708 | S | S | * | * | 34.2 | 149.6 | 109.3 | -54.4 | -177.8 | 136.5 | 0 | 0 | 120 | |||||
| 146 | M | 32.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | cis | -177.8 | 167.7 | -17.2 | -100.5 | -150.5 | -146.8 | 0 | 0 | 106.6 | ||||
| 147 | V | 32.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | 45.5 | 102.2 | 150.2 | 174.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 148 | S | 32.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | 76.5 | 157.4 | 66.5 | -168.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 149 | T | 31.4 | Very low | 32.9 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | trans | 75.1 | 148 | -177.5 | 79.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 150 | R | 36 | Very low | 33.1 | Very low | 212 Ų | 212 | 138.7 Ų | 138.7 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | cis | -169.4 | 165 | -2.2 | -125.3 | 175.5 | -177.7 | 167.4 | -2.3 | 110.4 | ||||
| 151 | T | 32.5 | Very low | 33.2 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | trans | 57.4 | 152.7 | 148 | 55 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 152 | D | 31.7 | Very low | 33.9 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | cis | -166.2 | 176.9 | -12.3 | -98.8 | -18 | 0 | 0 | 0 | 110.3 | ||||
| 153 | N | 32.4 | Very low | 34.3 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | 101.4 | 115.7 | 139.4 | -134.1 | 53.7 | 0 | 0 | 0 | 123.4 | ||||
| 154 | E | 35.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | trans | 64.3 | 126.7 | 138.4 | -74.4 | -171 | 116.4 | 0 | 0 | 127.8 | ||||
| 155 | N | 34.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | 67.6 | 93.9 | 129.6 | -57.4 | -19.1 | 0 | 0 | 0 | 124.6 | |||||
| 156 | N | 34.3 | Very low | 34.9 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | 60.4 | 167.4 | 121 | -123.1 | 9.9 | 0 | 0 | 0 | 121.5 | |||||
| 157 | P | 55.2 | Low | 35.4 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 62% | 0.623 | 76% | 0.761 | S | S | * | * | cis | -126.2 | 163.7 | -32.2 | 16.2 | 7.4 | 0 | 0 | 0 | 115.4 | ||||
| 158 | V | 34.4 | Very low | 35.9 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 94% | 0.939 | 77% | 0.766 | S | S | * | * | trans | 60.3 | 121.1 | 148.8 | 175.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 159 | G | 30.3 | Very low | 35.9 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 176.3 | 137.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 160 | H | 34.5 | Very low | 36.3 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -81 | 131 | -176 | -76 | -74.1 | 0 | 0 | 0 | 113.9 | ||||
| 161 | N | 31.8 | Very low | 36.1 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | -179 | 154.5 | 113.6 | -96.7 | -55.4 | 0 | 0 | 0 | 113.3 | |||||
| 162 | P | 43.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -92.6 | -174.3 | 167.4 | 41 | -35.6 | 0 | 0 | 0 | 111 | ||||
| 163 | P | 39.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -116.2 | 158.7 | -10.5 | 38.6 | -26.7 | 0 | 0 | 0 | 112.7 | ||||
| 164 | N | 29.2 | Very low | 37.2 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -129.8 | 133.7 | 171.9 | -157.6 | -6.5 | 0 | 0 | 0 | 111.4 | ||||
| 165 | H | 38.1 | Very low | 37.1 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 120.6 | 176.1 | -101.1 | -86.2 | 0 | 0 | 0 | 109.9 | ||||
| 166 | N | 31.6 | Very low | 37.4 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -158.4 | 136.6 | 153.5 | -105.2 | -54.1 | 0 | 0 | 0 | 111.5 | ||||
| 167 | P | 43.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -90.3 | 129.3 | -177.8 | 33.3 | -32.7 | 0 | 0 | 0 | 113.1 | K169 | P167-K169 PolarHBondContact O-N 2.81Å; P167-K169 VanDerWaalsContact O-N 3.15Å | ||
| 168 | P | 41.7 | Very low | 36.6 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -82.8 | 91.5 | 173.7 | 32.1 | -32.9 | 0 | 0 | 0 | 112.5 | ||||
| 169 | K | 32.3 | Very low | 36.9 | Very low | 183 Ų | 183 | 146 Ų | 146 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | 28.3 | 105.8 | 131.8 | -156.5 | 172.1 | -170.5 | 175.8 | 0 | 119.2 | P167 | P167-K169 PolarHBondContact O-N 2.81Å; P167-K169 VanDerWaalsContact O-N 3.15Å | ||
| 170 | I | 39.8 | Very low | 36.9 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | trans | 45 | 114.4 | 133.8 | -50.2 | 166.8 | 0 | 0 | 0 | 118.6 | ||||
| 171 | M | 30.8 | Very low | 36.9 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | -142.8 | 146.6 | 120.4 | -79.2 | -149.6 | 75.9 | 0 | 0 | 109.7 | |||||
| 172 | A | 45 | Very low | 37 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -112.2 | 127.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 173 | V | 36.9 | Very low | 36.5 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -137.7 | 130.6 | 167.2 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 174 | S | 39.3 | Very low | 36 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -82.4 | 130.2 | 175 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 175 | G | 33.5 | Very low | 36 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | trans | -164 | 107.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 176 | K | 39.8 | Very low | 35.9 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | trans | -32 | 127.7 | 176.7 | -59.7 | 171.1 | 175.9 | -177.6 | 0 | 115.1 | ||||
| 177 | L | 33.3 | Very low | 36 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | trans | -140.5 | 82.6 | 160 | -175.2 | 61.4 | 0 | 0 | 0 | 110.6 | ||||
| 178 | E | 39 | Very low | 35.8 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 93% | 0.93 | 84% | 0.842 | S | S | * | * | trans | -118.8 | 61 | 174.9 | -168.5 | 167.8 | -143.9 | 0 | 0 | 109.5 | ||||
| 179 | Q | 41.2 | Very low | 35.7 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -149.4 | 47.6 | 180 | -155.6 | 168.3 | 40.4 | 0 | 0 | 112.2 | ||||
| 180 | A | 31.5 | Very low | 35.9 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -143 | 10.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 181 | M | 33.5 | Very low | 35.6 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -136.5 | 53.8 | 178.6 | -78.6 | -165.9 | 66.9 | 0 | 0 | 113.3 | ||
| 182 | Q | 34.3 | Very low | 35.7 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | -153.1 | 69.4 | 162.4 | -116.2 | 155.3 | 84.8 | 0 | 0 | 110.8 | ||||
| 183 | S | 32.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -151.5 | 145.2 | 168.9 | -74.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 184 | T | 28.6 | Very low | 34.9 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | trans | 63.2 | 66 | -175.9 | 64.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 185 | S | 30.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -103.2 | 125.8 | 137.3 | 55.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 186 | G | 35.1 | Very low | 34.8 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | 123.9 | 72.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 187 | L | 34.8 | Very low | 34.6 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -131.5 | 89.5 | 155.4 | -166.6 | 69.4 | 0 | 0 | 0 | 110.4 | R189 | L187-R189 PolarHBondContact O-N 2.76Š| ||
| 188 | V | 39.1 | Very low | 34.8 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -77.7 | 106.7 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 189 | R | 39.5 | Very low | 34.8 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | 24.7 | 105.2 | 148.4 | -166.9 | -177.7 | -159.8 | 155.3 | 8.4 | 117 | L187 S191 | L187-R189 PolarHBondContact O-N 2.76Å; R189-S191 PolarHBondContact O-N 3.31Å | ||
| 190 | P | 36.3 | Very low | 34.4 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -67.1 | 118.3 | 165.5 | 28.8 | -33 | 0 | 0 | 0 | 110 | ||||
| 191 | S | 32.3 | Very low | 34.4 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | -139.3 | 93.1 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | R189 | R189-S191 PolarHBondContact O-N 3.31Š| ||
| 192 | A | 32.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | 42.8 | 112.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 193 | F | 33.9 | Very low | 34.1 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -41.4 | 138.2 | 145 | -72.1 | -106.2 | 0 | 0 | 0 | 111.3 | P195 | F193-P195 VanDerWaalsContact O-CD 3.28Å; F193-P195 WeakPolarHBondContact O-CD 3.34Å | ||
| 194 | K | 31.1 | Very low | 33.9 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -90 | 105.8 | 157 | -80.7 | -178.4 | 175.9 | 175.8 | 0 | 108.6 | ||||
| 195 | P | 40.1 | Very low | 34 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 144.1 | 172.1 | 28.9 | -34.1 | 0 | 0 | 0 | 110.6 | F193 | F193-P195 VanDerWaalsContact O-CD 3.28Å; F193-P195 WeakPolarHBondContact O-CD 3.34Å | ||
| 196 | V | 30.8 | Very low | 33.9 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 135.1 | 171.5 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 197 | V | 35.4 | Very low | 33.9 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -107 | 115.6 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 198 | P | 37.9 | Very low | 33.6 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 154 | 166.3 | -18.9 | 33.4 | 0 | 0 | 0 | 112.2 | ||||
| 199 | K | 39.3 | Very low | 33.1 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -79 | 136 | -174.1 | -60.3 | 173.1 | 178.8 | 177.1 | 0 | 113.2 | ||||
| 200 | S | 32.4 | Very low | 32.7 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -155.2 | 90.9 | 153.1 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 201 | F | 32.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 6.9 | 143 | 147.7 | -82.6 | -79.1 | 0 | 0 | 0 | 123.6 | ||||
| 202 | H | 31.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 69.5 | 153.8 | 160 | -47.1 | 130 | 0 | 0 | 0 | 116.5 | ||||
| 203 | S | 28.5 | Very low | 31.9 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | -153.4 | 170.7 | -0.4 | -146.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 204 | M | 28.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | 55.6 | 98.9 | 160.4 | -56.8 | -58.3 | -77.6 | 0 | 0 | 119.6 | ||||
| 205 | Q | 31.3 | Very low | 31.6 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -134.1 | 137.2 | 135.6 | -172.2 | 65.8 | 57.3 | 0 | 0 | 106.9 | ||||
| 206 | N | 29.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | trans | -133 | 157.2 | -171.1 | -151.3 | -5.6 | 0 | 0 | 0 | 112 | ||||
| 207 | L | 34.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 71.9 | 126.1 | 176.8 | -88 | 70.6 | 0 | 0 | 0 | 119.9 | ||||
| 208 | V | 29.1 | Very low | 31 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | 65.7 | 129.3 | 148.4 | -176 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 209 | G | 27.3 | Very low | 30.8 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | 164.2 | 178.1 | -8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 210 | Q | 31.2 | Very low | 30.4 | Very low | 191 Ų | 191 | 126.2 Ų | 126.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | 85.4 | 90.5 | 158.4 | -158.1 | 158.8 | -13.1 | 0 | 0 | 121.7 | ||||
| 211 | A | 28.9 | Very low | 30.3 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | 71.7 | 128.7 | 125.6 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 212 | G | 27.3 | Very low | 30.3 | Very low | 85 Ų | 85 | 123 Ų | 123 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | 95.4 | 131.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 213 | G | 28.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | 168.9 | 142.4 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 214 | A | 30.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 126 Ų | 126 | 93% | 0.934 | 80% | 0.796 | S | S | * | * | trans | 61.6 | 154.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 215 | G | 29.7 | Very low | 30.2 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 159.6 | 143.2 | -12.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 216 | G | 30.1 | Very low | 30 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 84.7 | 132.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 217 | E | 30.1 | Very low | 30 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | cis | 90.7 | 140.8 | 14.5 | -56.2 | -156.7 | 98.5 | 0 | 0 | 119.1 | ||||
| 218 | G | 32.1 | Very low | 30 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 95.8 | 119.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 219 | K | 33 | Very low | 29.9 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | cis | 102.8 | 144.7 | 12.2 | -158.4 | -176.5 | 172.6 | -176.7 | 0 | 115.4 | ||||
| 220 | T | 31.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 128 Ų | 128 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | 83.1 | 141.6 | 170 | 65.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 221 | D | 30.8 | Very low | 30 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -166.6 | 166 | -39.4 | -125.7 | -62 | 0 | 0 | 0 | 115.1 | ||||
| 222 | A | 31.8 | Very low | 30 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | 73.2 | 154.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 223 | R | 28.4 | Very low | 30.4 | Very low | 257 Ų | 257 | 131.9 Ų | 131.9 | 97% | 0.97 | 81% | 0.806 | S | S | * | * | trans | 71.7 | 145.6 | 173.1 | -67 | -177.1 | 168.2 | 179.6 | -4.4 | 118.1 | ||||
| 224 | G | 28.6 | Very low | 30.5 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | cis | 157.5 | 128 | -12 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 225 | E | 30.2 | Very low | 30.6 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | 63.4 | 155.9 | 175.6 | -54.8 | -164.5 | 139.7 | 0 | 0 | 116.7 | ||||
| 226 | G | 28.3 | Very low | 30.6 | Very low | 66 Ų | 66 | 145.5 Ų | 145.5 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | cis | 178.9 | -178.5 | -6.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 227 | F | 27.7 | Very low | 30.7 | Very low | 209 Ų | 209 | 153.9 Ų | 153.9 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | 72.1 | 164.3 | 169 | -77 | -85.9 | 0 | 0 | 0 | 120.9 | ||||
| 228 | S | 34.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -157.1 | 131.5 | -163.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 229 | E | 26.9 | Very low | 31.2 | Very low | 206 Ų | 206 | 152.2 Ų | 152.2 | 96% | 0.963 | 81% | 0.812 | S | S | * | * | trans | -169.4 | 171.6 | 162.4 | -112.8 | 175.6 | 153.4 | 0 | 0 | 108.8 | ||||
| 230 | G | 27.5 | Very low | 31.2 | Very low | 57 Ų | 57 | 150.6 Ų | 150.6 | 59% | 0.588 | 82% | 0.817 | S | S | * | * | cis | 176.4 | 74.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 231 | R | 32.5 | Very low | 31.1 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | 20 | 105.4 | 157.6 | -176.1 | -155.1 | -68.7 | -170.3 | -2.9 | 117.8 | ||||
| 232 | V | 30.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -130.8 | 127.3 | 150 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 233 | G | 34 | Very low | 31.1 | Very low | 66 Ų | 66 | 149.5 Ų | 149.5 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | trans | -158.8 | 127.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 234 | R | 31.4 | Very low | 31.4 | Very low | 229 Ų | 229 | 140.1 Ų | 140.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -137.2 | 121.1 | 171.2 | -73.6 | -174.7 | 176.6 | -118.6 | 1.9 | 106.7 | ||||
| 235 | R | 33.8 | Very low | 31.6 | Very low | 244 Ų | 244 | 140.7 Ų | 140.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | 47 | 102.1 | 95 | -68.8 | -173.8 | 179.5 | -107.7 | 4.3 | 110.6 | |||||
| 236 | G | 28.8 | Very low | 31.9 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | 102.1 | 134.5 | 48.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 237 | R | 32.4 | Very low | 32 | Very low | 249 Ų | 249 | 141.1 Ų | 141.1 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | trans | -154.8 | 148.1 | 167.6 | -150.5 | 176.7 | -161.7 | -135.3 | 1.9 | 110 | ||||
| 238 | D | 35.2 | Very low | 32.4 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -113.5 | 164.6 | -163.4 | -50.9 | -91.5 | 0 | 0 | 0 | 114.3 | ||||
| 239 | A | 36.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | 86.2 | 152 | 145.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 240 | V | 33.3 | Very low | 33 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 92% | 0.915 | 82% | 0.821 | S | S | * | * | trans | 75.1 | 126 | 172.2 | -166.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 241 | G | 30.5 | Very low | 33.2 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | cis | 159.7 | 126.5 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 242 | G | 31.3 | Very low | 33.4 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | 71.6 | 162.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 243 | D | 31 | Very low | 33.4 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | cis | -169.1 | 169.9 | -22.6 | -128.2 | 59 | 0 | 0 | 0 | 107.6 | ||||
| 244 | G | 34 | Very low | 33.6 | Very low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 83% | 0.833 | S | S | * | * | cis | 174.9 | 152 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 245 | G | 32.5 | Very low | 33.8 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | 79.8 | 154.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 246 | E | 36.6 | Very low | 33.8 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | cis | -136.5 | 171.4 | -5.1 | -67 | 179.1 | 92.5 | 0 | 0 | 106.8 | ||||
| 247 | G | 32 | Very low | 33.9 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | cis | 160.6 | 65 | 11.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 248 | G | 34.9 | Very low | 33.9 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -80.5 | 128.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 249 | M | 38.1 | Very low | 33.8 | Very low | 186 Ų | 186 | 125.2 Ų | 125.2 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -131.3 | 142.6 | 173.7 | -55.7 | -171.4 | 80.3 | 0 | 0 | 110.4 | ||||
| 250 | S | 37.2 | Very low | 33.9 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -135.1 | 124.4 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 251 | D | 31 | Very low | 34.2 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -154.2 | 139.9 | 135.5 | 76 | 41.3 | 0 | 0 | 0 | 110.3 | ||||
| 252 | S | 36.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | 80.8 | 96.4 | 102.6 | -72.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 253 | G | 31.5 | Very low | 34 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -156.3 | 74.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 254 | R | 38.4 | Very low | 34 | Very low | 231 Ų | 231 | 134.6 Ų | 134.6 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -64.2 | 144.2 | -171.1 | -63.7 | 171.7 | 167 | -155.7 | -3.8 | 114.5 | ||||
| 255 | N | 33.8 | Very low | 33.7 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | 176.5 | 109.9 | 130 | -83.6 | -25.2 | 0 | 0 | 0 | 107.7 | |||||
| 256 | S | 33.5 | Very low | 33.9 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | 54.5 | 116.5 | 88 | -60.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 257 | L | 32.5 | Very low | 33.6 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | cis | -142.5 | 137.4 | 40.2 | -63.7 | 162 | 0 | 0 | 0 | 113.5 | ||||
| 258 | T | 31.5 | Very low | 33.7 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | trans | -149.4 | 127.6 | 161.3 | 28.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 259 | S | 33.2 | Very low | 33.5 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -141 | 84.5 | 179 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 260 | L | 37.9 | Very low | 33.2 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | -118.4 | 128.1 | 163.2 | -72.3 | 176.6 | 0 | 0 | 0 | 108.1 | T262 | L260-T262 PolarHBondContact O-N 3.5Š| ||
| 261 | P | 39.8 | Very low | 33 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.7 | -178.9 | -20.8 | 33.1 | 0 | 0 | 0 | 112.4 | ||
| 262 | T | 31 | Very low | 34.1 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 123 | 170.3 | -44.4 | 0 | 0 | 0 | 0 | 109.8 | L260 T264 | L260-T262 PolarHBondContact O-N 3.5Å; T262-T264 HydrophobicContact CG2-CG2 4.41Å |
| 263 | Y | 26.6 | Very low | 34.5 | Very low | 223 Ų | 223 | 129.1 Ų | 129.1 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 131.8 | 173 | -173.2 | -92.8 | 0 | 0 | 0 | 110.6 | ||
| 264 | T | 31.9 | Very low | 34.6 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 69% | 0.687 | 82% | 0.823 | S | S | * | * | trans | -137.9 | 149.9 | -179.9 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | T262 | T262-T264 HydrophobicContact CG2-CG2 4.41Š| ||
| 265 | G | 28.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 68 | 110.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 266 | S | 35.7 | Very low | 34.1 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | -67.7 | 137.7 | 156.7 | -55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 267 | G | 30 | Very low | 34 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -165.9 | 120.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 268 | S | 35.8 | Very low | 35 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -36.1 | 140 | 179.2 | -169.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 269 | G | 30.2 | Very low | 34.8 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -177.8 | 145.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 270 | C | 31.5 | Very low | 34.8 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -103.1 | 151 | -177.5 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 271 | G | 32.3 | Very low | 34.3 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 98.7 | 126.4 | 149 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 272 | P | 55.2 | Low | 34 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -84.5 | 159.6 | 160.4 | 37.6 | -33.9 | 0 | 0 | 0 | 110.5 | ||||
| 273 | P | 43.9 | Very low | 34 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -137.9 | 179 | 95.3 | 39.2 | -27.9 | 0 | 0 | 0 | 113.7 | |||||
| 274 | A | 33.2 | Very low | 34.4 | Very low | 87 Ų | 87 | 109.8 Ų | 109.8 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | -100 | -167.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 275 | V | 28 | Very low | 34.8 | Very low | 131 Ų | 131 | 112.4 Ų | 112.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 76.4 | 105.3 | 167.2 | -156.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 276 | L | 33.4 | Very low | 35.3 | Very low | 163 Ų | 163 | 115.2 Ų | 115.2 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | 170 | 111.9 | 116.7 | -88.9 | 174.5 | 0 | 0 | 0 | 110.9 | |||||
| 277 | G | 32.3 | Very low | 35.5 | Very low | 60 Ų | 60 | 114.9 Ų | 114.9 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -101.4 | -157.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 278 | P | 53.2 | Low | 35.6 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -125.6 | -177.5 | -6.7 | 42 | -28.2 | 0 | 0 | 0 | 112.3 | ||||
| 279 | L | 28.5 | Very low | 35.5 | Very low | 167 Ų | 167 | 123 Ų | 123 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 179.5 | 107.6 | 143 | -82.9 | -154.5 | 0 | 0 | 0 | 105.6 | ||||
| 280 | S | 32.1 | Very low | 35.4 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | cis | 73.2 | 80.6 | 31.3 | -58.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 281 | A | 28.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -164.7 | 143.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 282 | S | 33.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -154.6 | -169.8 | -25.1 | -150.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 283 | T | 30.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | -166.1 | 143.6 | 5.5 | 157.8 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 284 | S | 33.7 | Very low | 33.5 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 58% | 0.58 | 77% | 0.774 | S | S | * | * | cis | -167.5 | 134.1 | 1.9 | 54.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 285 | H | 40.5 | Very low | 33.4 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | 70.8 | 147.3 | 100.2 | -60.4 | -44.8 | 0 | 0 | 0 | 116.3 | |||||
| 286 | I | 39.5 | Very low | 33.7 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | cis | -158 | 141.9 | 7.4 | -129.8 | 167.2 | 0 | 0 | 0 | 113.6 | ||||
| 287 | N | 38.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | 54 | 160.6 | 146.5 | -62.5 | -14.5 | 0 | 0 | 0 | 122.1 | ||||
| 288 | R | 33.3 | Very low | 33.6 | Very low | 215 Ų | 215 | 124.6 Ų | 124.6 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | cis | -153.9 | 168.6 | -7.7 | -131 | 179 | -176.8 | -170.4 | 0.5 | 111.7 | ||||
| 289 | L | 33.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 75.4 | 127.5 | 169.6 | -60.1 | 163.3 | 0 | 0 | 0 | 115.5 | ||||
| 290 | G | 28.3 | Very low | 33.2 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | cis | 108.5 | 73.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 291 | M | 30.9 | Very low | 33.4 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 95% | 0.946 | 80% | 0.8 | S | S | * | * | trans | -147.5 | 132.7 | 160.7 | -153.6 | 166 | 79.3 | 0 | 0 | 108.9 | ||||
| 292 | A | 32.1 | Very low | 33.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -146.2 | 145.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 293 | G | 29.7 | Very low | 33.9 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 109 | 133.6 | -170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 294 | A | 30.8 | Very low | 35.1 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | cis | -153.8 | 151.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 295 | A | 30.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -161.4 | 72.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 296 | A | 34.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -173.3 | 113.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 297 | G | 32.3 | Very low | 34.2 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -177.2 | 44.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 298 | L | 32.3 | Very low | 34 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | 68.3 | 140.4 | 153.4 | -158.2 | 70.4 | 0 | 0 | 0 | 120 | ||||
| 299 | D | 35.9 | Very low | 34 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 84% | 0.844 | S | S | * | * | trans | -68.2 | 135.3 | 164.5 | -57.6 | -96.3 | 0 | 0 | 0 | 113 | ||||
| 300 | K | 35.8 | Very low | 33.9 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | 176.3 | 128.4 | 121.7 | -99.3 | 171.6 | -178.8 | -175.6 | 0 | 114.7 | |||||
| 301 | L | 36.9 | Very low | 34.5 | Very low | 142 Ų | 142 | 141 Ų | 141 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | 61.9 | 120.6 | 127.4 | -159.8 | 63.5 | 0 | 0 | 0 | 121.4 | |||||
| 302 | D | 31.9 | Very low | 34.7 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | 72.4 | 157.5 | 151.5 | -70.9 | -28.6 | 0 | 0 | 0 | 123.8 | ||||
| 303 | K | 40.2 | Very low | 34.6 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -112.6 | 175.6 | -176.8 | -76.8 | 174.3 | 173.4 | 173.4 | 0 | 109.6 | ||||
| 304 | P | 55.8 | Low | 34.9 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | cis | -125.2 | 169.3 | -40.3 | 35.2 | -21 | 0 | 0 | 0 | 111.1 | ||||
| 305 | G | 27.1 | Very low | 35 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -144.6 | 139.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 306 | Y | 35.2 | Very low | 35.2 | Very low | 226 Ų | 226 | 139.8 Ų | 139.8 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | trans | -96.3 | 171.3 | 173.5 | -117.9 | -101.9 | 0 | 0 | 0 | 111 | ||||
| 307 | Q | 33.8 | Very low | 35.3 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | 78.5 | 150.7 | 159.5 | -78 | 175.3 | -96.5 | 0 | 0 | 121.3 | ||||
| 308 | Q | 33.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | 78.3 | 71.2 | 148.1 | -153.3 | 155.6 | 9.1 | 0 | 0 | 118.9 | ||||
| 309 | N | 32.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 95% | 0.952 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 139.5 | 150.7 | -151 | 30.7 | 0 | 0 | 0 | 109 | ||||
| 310 | G | 32 | Very low | 36.1 | Very low | 58 Ų | 58 | 141.5 Ų | 141.5 | 60% | 0.598 | 80% | 0.803 | S | S | * | * | trans | -166.5 | 144.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 311 | L | 40.7 | Very low | 36.2 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 69.8 | 148.7 | 173.2 | -43.5 | -178.2 | 0 | 0 | 0 | 114.2 | ||||
| 312 | S | 34.5 | Very low | 36 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | cis | -157.9 | -175 | -1.7 | -139 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 313 | A | 30 | Very low | 36.3 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | 71.7 | 115.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 314 | S | 37 | Very low | 36.1 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | cis | 73.3 | 106.6 | 13.5 | -39.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 315 | D | 33.3 | Very low | 35.2 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | -159.6 | 166.6 | 124.5 | -176.5 | 45.9 | 0 | 0 | 0 | 110.6 | |||||
| 316 | S | 33.8 | Very low | 35.5 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 62 | 105.7 | 162.8 | -75.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 317 | G | 36.8 | Very low | 36 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | cis | 110.6 | 77 | -3.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 318 | R | 39.8 | Very low | 36 | Very low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -152 | 138.4 | 160.5 | -128.9 | 171.2 | -175.4 | -94.5 | -0.7 | 114.2 | ||||
| 319 | S | 35.8 | Very low | 36.4 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -37.1 | 152.8 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 320 | S | 41.9 | Very low | 36.9 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | 128.5 | 108.9 | -5.3 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 321 | S | 37.7 | Very low | 37.4 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -159.4 | 128.9 | 158.1 | 55.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 322 | G | 33.1 | Very low | 37.1 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | cis | 125.4 | 47.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 323 | K | 37.3 | Very low | 37.2 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -140.9 | 135.6 | 165 | -68.7 | -169.9 | 179.7 | -179.4 | 0 | 110.6 | ||||
| 324 | S | 37 | Very low | 37.7 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -143.1 | 168.2 | 178.2 | -56 | 0 | 0 | 0 | 0 | 110 | ||||
| 325 | S | 35.4 | Very low | 37.6 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 95.1 | 147.6 | 152.7 | -158.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 326 | S | 33.8 | Very low | 37.7 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | 66.2 | 123.2 | 164.1 | -64.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 327 | S | 45.9 | Very low | 37.6 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | 65.2 | 117.5 | 36.9 | -168.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 328 | Y | 34.3 | Very low | 38.3 | Very low | 220 Ų | 220 | 139 Ų | 139 | 86% | 0.863 | 78% | 0.783 | S | S | * | * | -166.4 | 175.2 | 124.6 | -97.1 | -60.3 | 0 | 0 | 0 | 110 | |||||
| 329 | Q | 42.6 | Very low | 38.6 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | -124 | 154.2 | -165.5 | -52.3 | -178.1 | 7.8 | 0 | 0 | 113.8 | ||||
| 330 | R | 42.2 | Very low | 39.2 | Very low | 201 Ų | 201 | 133 Ų | 133 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 98.1 | 137.1 | -164.5 | -174.6 | -56.4 | -109.1 | 1.4 | 120.5 | ||||
| 331 | L | 42 | Very low | 39.3 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | 58.8 | 141.4 | 135.4 | -84.3 | 88.5 | 0 | 0 | 0 | 123.8 | ||||
| 332 | S | 34.7 | Very low | 39.8 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 74 | 124.3 | 144.4 | -63.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 333 | H | 36 | Very low | 40.6 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | -163.7 | -177.1 | 101.3 | -100.1 | -72.3 | 0 | 0 | 0 | 110.7 | |||||
| 334 | L | 40.3 | Very low | 40.7 | Very low | 153 Ų | 153 | 138 Ų | 138 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -108.4 | 152.6 | -157.6 | -71.7 | 163.2 | 0 | 0 | 0 | 115.4 | ||||
| 335 | S | 36.3 | Very low | 41.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 33.4 | 134.3 | 145 | -49.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 336 | D | 35 | Very low | 43 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | -168.5 | 163.4 | 95.1 | -161.4 | 17.4 | 0 | 0 | 0 | 113.2 | |||||
| 337 | A | 31.2 | Very low | 44.8 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | trans | 67.2 | 152.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 338 | P | 51.6 | Low | 46.5 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -126.5 | 162.3 | -139.1 | 41.2 | -28.6 | 0 | 0 | 0 | 118.7 | ||||
| 339 | A | 46.9 | Very low | 48.8 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | 71.4 | 154.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 340 | P | 46.9 | Very low | 50.8 | Low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | cis | -112.5 | 172.2 | 12.7 | 41 | -31.6 | 0 | 0 | 0 | 116.5 | ||||
| 341 | L | 44.9 | Very low | 52.8 | Low | 172 Ų | 172 | 119 Ų | 119 | 90% | 0.901 | 69% | 0.692 | S | S | * | * | trans | -71.5 | 139.7 | -174.9 | -61.4 | 163.2 | 0 | 0 | 0 | 113.7 | ||||
| 342 | R | 48.9 | Very low | 55 | Low | 234 Ų | 234 | 116.4 Ų | 116.4 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -137.5 | 147.3 | 156.1 | -92 | -63.4 | -158.5 | 118.9 | -0.2 | 109.4 | ||||
| 343 | P | 50.1 | Low | 57.6 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 74% | 0.74 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 154.2 | -170.8 | -15.2 | 31.2 | 0 | 0 | 0 | 113.8 | ||
| 344 | S | 39 | Very low | 60.2 | Low | 107 Ų | 107 | 111.6 Ų | 111.6 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.1 | 161.9 | -50.9 | 0 | 0 | 0 | 0 | 111 | ||
| 345 | P | 56.3 | Low | 62.6 | Low | 88 Ų | 88 | 109.5 Ų | 109.5 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 157.3 | 164.4 | 29.8 | -35.3 | 0 | 0 | 0 | 110.9 | D349 I350 | P345-D349 HydrophobicContact CB-CB 4.43Å; P345-I350 HydrophobicContact CG-CD1 4.23Å |
| 346 | S | 64.6 | Low | 65.2 | Low | 50 Ų | 50 | 108 Ų | 108 | 35% | 0.35 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 159.7 | 172.3 | -168.1 | 0 | 0 | 0 | 0 | 111 | D348 D349 | S346-D348 PolarHBondContact O-N 2.76Å; S346-D348 PolarHBondContact OG-N 2.74Å; S346-D349 VanDerWaalsContact CB-OD2 3.24Å; S346-D349 WeakPolarHBondContact CB-OD2 3.48Å; S346-D349 PolarHBondContact N-OD2 2.86Å |
| 347 | S | 71.9 | Confident | 68 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 54% | 0.538 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -53.2 | -37.6 | 162.7 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | I350 I351 | S347-I350 PolarHBondContact O-N 3.24Å; S347-I351 WeakPolarHBondContact O-CG1 3.05Å; S347-I351 PolarHBondContact O-N 2.71Å |
| 348 | D | 80.8 | Confident | 71 | Confident | 103 Ų | 103 | 108.1 Ų | 108.1 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.6 | -31.4 | -166.9 | -45.9 | -17.7 | 0 | 0 | 0 | 111 | S346 I350 I351 Q352 | S346-D348 PolarHBondContact O-N 2.76Å; S346-D348 PolarHBondContact OG-N 2.74Å; D348-I350 VanDerWaalsContact C-N 3.31Å; D348-I350 PolarHBondContact O-N 2.69Å; D348-I351 PolarHBondContact O-N 3.5Å; D348-Q352 PolarHBondContact O-N 2.77Å |
| 349 | D | 82.1 | Confident | 73.1 | Confident | 96 Ų | 96 | 110.2 Ų | 110.2 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 171.8 | -57.9 | -45.7 | 0 | 0 | 0 | 111 | P345 S346 D353 | P345-D349 HydrophobicContact CB-CB 4.43Å; S346-D349 VanDerWaalsContact CB-OD2 3.24Å; S346-D349 WeakPolarHBondContact CB-OD2 3.48Å; S346-D349 PolarHBondContact N-OD2 2.86Å; D349-D353 WeakPolarHBondContact O-CB 3.42Å; D349-D353 PolarHBondContact O-N 3.16Å; D349-D353 VanDerWaalsContact O-N 3.14Å |
| 350 | I | 84.6 | Confident | 75.3 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 45% | 0.451 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.4 | -34 | 178.6 | -60.3 | 173.1 | 0 | 0 | 0 | 110.5 | P345 S347 D348 L354 | P345-I350 HydrophobicContact CG-CD1 4.23Å; S347-I350 PolarHBondContact O-N 3.24Å; D348-I350 VanDerWaalsContact C-N 3.31Å; D348-I350 PolarHBondContact O-N 2.69Å; I350-L354 HydrophobicContact CG2-CD1 4.14Å; I350-L354 WeakPolarHBondContact O-CB 3.13Å; I350-L354 WeakPolarHBondContact O-CD1 3.46Å; I350-L354 VanDerWaalsContact O-CG 3.22Å; I350-L354 WeakPolarHBondContact O-CG 3.46Å; I350-L354 PolarHBondContact O-N 3.44Å; I350-L354 VanDerWaalsContact O-N 3.13Å |
| 351 | I | 84.3 | Confident | 77.6 | Confident | 83 Ų | 83 | 110.8 Ų | 110.8 | 43% | 0.426 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -48.6 | 174 | -69.5 | 162.7 | 0 | 0 | 0 | 110 | S347 D348 D353 L354 E355 | S347-I351 WeakPolarHBondContact O-CG1 3.05Å; S347-I351 PolarHBondContact O-N 2.71Å; D348-I351 PolarHBondContact O-N 3.5Å; I351-D353 PolarHBondContact O-N 3.42Å; I351-L354 CarbonylContact O-C 3.58Å; I351-L354 WeakPolarHBondContact O-CA 3.24Å; I351-L354 WeakPolarHBondContact O-CB 3.31Å; I351-L354 PolarHBondContact O-N 3.17Å; I351-E355 HydrophobicContact CG2-CG 4.24Å; I351-E355 WeakPolarHBondContact O-CG 3.49Å; I351-E355 PolarHBondContact O-N 3.35Å |
| 352 | Q | 89.1 | Confident | 80 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 177.8 | -173.8 | 68.1 | 63.4 | 0 | 0 | 112.1 | D348 L354 E355 D356 | D348-Q352 PolarHBondContact O-N 2.77Å; Q352-L354 PolarHBondContact O-N 2.89Å; Q352-E355 PolarHBondContact O-N 3.4Å; Q352-E355 VanDerWaalsContact O-N 3.12Å; Q352-D356 PolarHBondContact NE2-OD1 2.76Å; Q352-D356 WeakPolarHBondContact O-CB 3.29Å; Q352-D356 VanDerWaalsContact O-CG 3.3Å; Q352-D356 PolarHBondContact O-N 2.79Å |
| 353 | D | 88.5 | Confident | 82.2 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -16.9 | 177.7 | 171.7 | 59.3 | 0 | 0 | 0 | 113.2 | D349 I351 R357 | D349-D353 WeakPolarHBondContact O-CB 3.42Å; D349-D353 PolarHBondContact O-N 3.16Å; D349-D353 VanDerWaalsContact O-N 3.14Å; I351-D353 PolarHBondContact O-N 3.42Å; D353-R357 WeakPolarHBondContact O-CB 3.49Å; D353-R357 VanDerWaalsContact O-CG 3.29Å; D353-R357 WeakPolarHBondContact O-CG 3.45Å; D353-R357 PolarHBondContact O-NE 2.91Å; D353-R357 IonicContact OD1-CZ 3.19Å; D353-R357 IonicContact OD1-NE 3.48Å; D353-R357 PolarHBondContact OD1-NE 3.15Å; D353-R357 IonicContact OD1-NH2 2.67Å; D353-R357 IonicContact OD2-CZ 3.76Å; D353-R357 VanDerWaalsContact OD2-CZ 3.26Å; D353-R357 IonicContact OD2-NE 3.26Å; D353-R357 IonicContact OD2-NH2 2.66Å; D353-R357 PolarHBondContact OD2-NH2 2.83Å |
| 354 | L | 91.5 | Very high | 84.4 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -86.2 | -34.8 | 168 | -73.2 | 170.8 | 0 | 0 | 0 | 112.5 | I350 I351 Q352 L358 | I350-L354 HydrophobicContact CG2-CD1 4.14Å; I350-L354 WeakPolarHBondContact O-CB 3.13Å; I350-L354 WeakPolarHBondContact O-CD1 3.46Å; I350-L354 VanDerWaalsContact O-CG 3.22Å; I350-L354 WeakPolarHBondContact O-CG 3.46Å; I350-L354 PolarHBondContact O-N 3.44Å; I350-L354 VanDerWaalsContact O-N 3.13Å; I351-L354 CarbonylContact O-C 3.58Å; I351-L354 WeakPolarHBondContact O-CA 3.24Å; I351-L354 WeakPolarHBondContact O-CB 3.31Å; I351-L354 PolarHBondContact O-N 3.17Å; Q352-L354 PolarHBondContact O-N 2.89Å; L354-L358 VanDerWaalsContact O-CB 3.23Å; L354-L358 WeakPolarHBondContact O-CB 3.49Å; L354-L358 PolarHBondContact O-N 2.82Å |
| 355 | E | 90.4 | Very high | 87.1 | Confident | 109 Ų | 109 | 95.3 Ų | 95.3 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 175.4 | -73 | -179.1 | 173.1 | 0 | 0 | 111.6 | I351 Q352 R357 L358 W359 | I351-E355 HydrophobicContact CG2-CG 4.24Å; I351-E355 WeakPolarHBondContact O-CG 3.49Å; I351-E355 PolarHBondContact O-N 3.35Å; Q352-E355 PolarHBondContact O-N 3.4Å; Q352-E355 VanDerWaalsContact O-N 3.12Å; E355-R357 PolarHBondContact O-N 3.22Å; E355-L358 PolarHBondContact O-N 3.28Å; E355-W359 WeakPolarHBondContact O-CB 3.19Å; E355-W359 PolarHBondContact O-N 2.84Å |
| 356 | D | 90.6 | Very high | 88.9 | Confident | 81 Ų | 81 | 93.7 Ų | 93.7 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.5 | -69.3 | -15.7 | 0 | 0 | 0 | 110.6 | Q352 W359 E360 | Q352-D356 PolarHBondContact NE2-OD1 2.76Å; Q352-D356 WeakPolarHBondContact O-CB 3.29Å; Q352-D356 VanDerWaalsContact O-CG 3.3Å; Q352-D356 PolarHBondContact O-N 2.79Å; D356-W359 WeakPolarHBondContact O-CB 3.13Å; D356-W359 PolarHBondContact O-N 3.48Å; D356-E360 WeakPolarHBondContact O-CG 3.18Å; D356-E360 PolarHBondContact O-N 2.93Å |
| 357 | R | 93.9 | Very high | 90.4 | Very high | 120 Ų | 120 | 96.2 Ų | 96.2 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.4 | -29.9 | 176.8 | -72.4 | -174.1 | -71.4 | 166.6 | -1.9 | 113.1 | D353 E355 K361 | D353-R357 WeakPolarHBondContact O-CB 3.49Å; D353-R357 VanDerWaalsContact O-CG 3.29Å; D353-R357 WeakPolarHBondContact O-CG 3.45Å; D353-R357 PolarHBondContact O-NE 2.91Å; D353-R357 IonicContact OD1-CZ 3.19Å; D353-R357 IonicContact OD1-NE 3.48Å; D353-R357 PolarHBondContact OD1-NE 3.15Å; D353-R357 IonicContact OD1-NH2 2.67Å; D353-R357 IonicContact OD2-CZ 3.76Å; D353-R357 VanDerWaalsContact OD2-CZ 3.26Å; D353-R357 IonicContact OD2-NE 3.26Å; D353-R357 IonicContact OD2-NH2 2.66Å; D353-R357 PolarHBondContact OD2-NH2 2.83Å; E355-R357 PolarHBondContact O-N 3.22Å; R357-K361 WeakPolarHBondContact O-CB 3.2Å; R357-K361 WeakPolarHBondContact O-CG 3.35Å; R357-K361 PolarHBondContact O-N 3.34Å |
| 358 | L | 93.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 98.3 Ų | 98.3 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 169.6 | 178.8 | 61.9 | 0 | 0 | 0 | 110.8 | L354 E355 K361 E362 | L354-L358 VanDerWaalsContact O-CB 3.23Å; L354-L358 WeakPolarHBondContact O-CB 3.49Å; L354-L358 PolarHBondContact O-N 2.82Å; E355-L358 PolarHBondContact O-N 3.28Å; L358-K361 PolarHBondContact O-N 3.5Å; L358-E362 WeakPolarHBondContact O-CB 3.09Å; L358-E362 PolarHBondContact O-N 2.84Å |
| 359 | W | 95.9 | Very high | 92.3 | Very high | 164 Ų | 164 | 100.9 Ų | 100.9 | 62% | 0.621 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67 | -43.2 | 176.6 | -173.9 | 93.3 | 0 | 0 | 0 | 112.2 | E355 D356 K361 E362 Q363 | E355-W359 WeakPolarHBondContact O-CB 3.19Å; E355-W359 PolarHBondContact O-N 2.84Å; D356-W359 WeakPolarHBondContact O-CB 3.13Å; D356-W359 PolarHBondContact O-N 3.48Å; W359-K361 VanDerWaalsContact C-N 3.31Å; W359-K361 PolarHBondContact O-N 3.47Å; W359-E362 PolarHBondContact O-N 3.47Å; W359-Q363 HydrophobicContact CD2-CG 4.07Å; W359-Q363 HydrophobicContact CE3-CG 3.96Å; W359-Q363 HydrophobicContact CH2-CG 3.74Å; W359-Q363 HydrophobicContact CZ2-CG 3.84Å; W359-Q363 HydrophobicContact CZ3-CG 3.79Å; W359-Q363 WeakPolarHBondContact O-CG 3.38Å; W359-Q363 PolarHBondContact O-N 3.28Å |
| 360 | E | 93.6 | Very high | 93 | Very high | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.9 | -43.5 | 171.6 | -74.9 | -171.1 | 154.1 | 0 | 0 | 111.7 | D356 Q363 E364 | D356-E360 WeakPolarHBondContact O-CG 3.18Å; D356-E360 PolarHBondContact O-N 2.93Å; E360-Q363 PolarHBondContact O-N 2.8Å; E360-E364 PolarHBondContact O-N 3.01Å |
| 361 | K | 95.4 | Very high | 93.6 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 177.4 | -71.1 | -71.9 | 148.8 | -163 | 0 | 112.5 | R357 L358 W359 E364 V365 | R357-K361 WeakPolarHBondContact O-CB 3.2Å; R357-K361 WeakPolarHBondContact O-CG 3.35Å; R357-K361 PolarHBondContact O-N 3.34Å; L358-K361 PolarHBondContact O-N 3.5Å; W359-K361 VanDerWaalsContact C-N 3.31Å; W359-K361 PolarHBondContact O-N 3.47Å; K361-E364 WeakPolarHBondContact CD-OE2 3.32Å; K361-E364 WeakPolarHBondContact CE-OE2 3.22Å; K361-E364 IonicContact NZ-OE1 3.5Å; K361-E364 IonicContact NZ-OE2 2.63Å; K361-E364 PolarHBondContact NZ-OE2 2.79Å; K361-E364 PolarHBondContact O-N 2.89Å; K361-V365 WeakPolarHBondContact O-CB 3.42Å; K361-V365 VanDerWaalsContact O-CG2 3.3Å; K361-V365 WeakPolarHBondContact O-CG2 3.27Å; K361-V365 PolarHBondContact O-N 3.33Å |
| 362 | E | 95.1 | Very high | 94.2 | Very high | 87 Ų | 87 | 102 Ų | 102 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 171.8 | 179.3 | 54 | -145.7 | 0 | 0 | 111.1 | L358 W359 V365 Q366 | L358-E362 WeakPolarHBondContact O-CB 3.09Å; L358-E362 PolarHBondContact O-N 2.84Å; W359-E362 PolarHBondContact O-N 3.47Å; E362-V365 PolarHBondContact O-N 2.92Å; E362-Q366 WeakPolarHBondContact O-CB 3.39Å; E362-Q366 VanDerWaalsContact O-CG 3.27Å; E362-Q366 WeakPolarHBondContact O-CG 3.48Å; E362-Q366 PolarHBondContact O-N 3.2Å; E362-Q366 WeakPolarHBondContact OE1-CG 3.36Å; E362-Q366 PolarHBondContact OE1-NE2 3.42Å |
| 363 | Q | 95.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 101.6 Ų | 101.6 | 30% | 0.299 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 173.2 | -66.6 | -53 | -38.5 | 0 | 0 | 112.8 | W359 E360 Q366 H367 | W359-Q363 HydrophobicContact CD2-CG 4.07Å; W359-Q363 HydrophobicContact CE3-CG 3.96Å; W359-Q363 HydrophobicContact CH2-CG 3.74Å; W359-Q363 HydrophobicContact CZ2-CG 3.84Å; W359-Q363 HydrophobicContact CZ3-CG 3.79Å; W359-Q363 WeakPolarHBondContact O-CG 3.38Å; W359-Q363 PolarHBondContact O-N 3.28Å; E360-Q363 PolarHBondContact O-N 2.8Å; Q363-Q366 PolarHBondContact O-N 3.03Å; Q363-H367 WeakPolarHBondContact O-CB 3.2Å; Q363-H367 PolarHBondContact O-N 2.86Å |
| 364 | E | 94.9 | Very high | 94.9 | Very high | 92 Ų | 92 | 103.8 Ų | 103.8 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 173.6 | -174.7 | -179.6 | -148.3 | 0 | 0 | 111.1 | E360 K361 Q366 H367 M368 | E360-E364 PolarHBondContact O-N 3.01Å; K361-E364 WeakPolarHBondContact CD-OE2 3.32Å; K361-E364 WeakPolarHBondContact CE-OE2 3.22Å; K361-E364 IonicContact NZ-OE1 3.5Å; K361-E364 IonicContact NZ-OE2 2.63Å; K361-E364 PolarHBondContact NZ-OE2 2.79Å; K361-E364 PolarHBondContact O-N 2.89Å; E364-Q366 VanDerWaalsContact C-N 3.35Å; E364-Q366 PolarHBondContact O-N 3.19Å; E364-H367 PolarHBondContact O-N 3.43Å; E364-M368 WeakPolarHBondContact O-CB 3.24Å; E364-M368 WeakPolarHBondContact O-CG 3.34Å; E364-M368 PolarHBondContact O-N 2.84Å |
| 365 | V | 95.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.8 | 163.5 | 0 | 0 | 0 | 0 | 111.3 | K361 E362 M368 R369 | K361-V365 WeakPolarHBondContact O-CB 3.42Å; K361-V365 VanDerWaalsContact O-CG2 3.3Å; K361-V365 WeakPolarHBondContact O-CG2 3.27Å; K361-V365 PolarHBondContact O-N 3.33Å; E362-V365 PolarHBondContact O-N 2.92Å; V365-M368 PolarHBondContact O-N 2.93Å; V365-R369 VanDerWaalsContact O-CG 3.27Å; V365-R369 WeakPolarHBondContact O-CG 3.37Å; V365-R369 PolarHBondContact O-N 2.62Å |
| 366 | Q | 94.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 101.6 Ų | 101.6 | 25% | 0.248 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 175.4 | -69.7 | 179.5 | 26.7 | 0 | 0 | 112.9 | E362 Q363 E364 R370 | E362-Q366 WeakPolarHBondContact O-CB 3.39Å; E362-Q366 VanDerWaalsContact O-CG 3.27Å; E362-Q366 WeakPolarHBondContact O-CG 3.48Å; E362-Q366 PolarHBondContact O-N 3.2Å; E362-Q366 WeakPolarHBondContact OE1-CG 3.36Å; E362-Q366 PolarHBondContact OE1-NE2 3.42Å; Q363-Q366 PolarHBondContact O-N 3.03Å; E364-Q366 VanDerWaalsContact C-N 3.35Å; E364-Q366 PolarHBondContact O-N 3.19Å; Q366-R370 VanDerWaalsContact O-CG 3.25Å; Q366-R370 WeakPolarHBondContact O-CG 3.33Å; Q366-R370 PolarHBondContact O-N 3.21Å; Q366-R370 VanDerWaalsContact O-N 3.08Å |
| 367 | H | 95.3 | Very high | 95.6 | Very high | 104 Ų | 104 | 100.4 Ų | 100.4 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 172.4 | -179.4 | 52.8 | 0 | 0 | 0 | 111.2 | Q363 E364 R369 R370 N371 | Q363-H367 WeakPolarHBondContact O-CB 3.2Å; Q363-H367 PolarHBondContact O-N 2.86Å; E364-H367 PolarHBondContact O-N 3.43Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 3.48Å; H367-R370 PolarHBondContact O-N 2.84Å; H367-N371 PolarHBondContact CD2-ND2 3.1Å; H367-N371 PolarHBondContact CE1-ND2 2.97Å; H367-N371 PolarHBondContact CE1-OD1 3.28Å; H367-N371 PolarHBondContact NE2-ND2 3.42Å; H367-N371 WeakPolarHBondContact O-CB 3.36Å; H367-N371 PolarHBondContact O-N 3.19Å; H367-N371 PolarHBondContact O-ND2 3.16Å; H367-N371 PolarHBondContact O-OD1 3.09Å |
| 368 | M | 96.6 | Very high | 95.7 | Very high | 121 Ų | 121 | 97 Ų | 97 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 174.3 | -75 | -172.4 | 69.9 | 0 | 0 | 112.4 | E364 V365 N371 L372 | E364-M368 WeakPolarHBondContact O-CB 3.24Å; E364-M368 WeakPolarHBondContact O-CG 3.34Å; E364-M368 PolarHBondContact O-N 2.84Å; V365-M368 PolarHBondContact O-N 2.93Å; M368-N371 PolarHBondContact O-N 2.89Å; M368-L372 WeakPolarHBondContact O-CB 3.37Å; M368-L372 PolarHBondContact O-N 3.28Å |
| 369 | R | 96.6 | Very high | 95.8 | Very high | 157 Ų | 157 | 95.7 Ų | 95.7 | 59% | 0.592 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.8 | -56.4 | 171.9 | -72.2 | 166.7 | -172.3 | -101.2 | 9.3 | 110.8 | V365 H367 N371 L372 D373 | V365-R369 VanDerWaalsContact O-CG 3.27Å; V365-R369 WeakPolarHBondContact O-CG 3.37Å; V365-R369 PolarHBondContact O-N 2.62Å; H367-R369 VanDerWaalsContact C-N 3.34Å; H367-R369 PolarHBondContact O-N 3.48Å; R369-N371 PolarHBondContact O-N 2.8Å; R369-N371 VanDerWaalsContact O-N 3.14Å; R369-L372 CarbonylContact O-C 3.5Å; R369-L372 WeakPolarHBondContact O-CA 3.44Å; R369-L372 VanDerWaalsContact O-CB 3.31Å; R369-L372 WeakPolarHBondContact O-CB 3.24Å; R369-L372 PolarHBondContact O-N 3.39Å; R369-D373 PolarHBondContact O-N 2.74Å; R369-D373 VanDerWaalsContact O-OD2 3.13Å |
| 370 | R | 96.8 | Very high | 95.8 | Very high | 119 Ų | 119 | 91.7 Ų | 91.7 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.7 | -34.2 | 178.6 | -66.8 | 167.4 | -165.3 | 122.1 | 4.1 | 112.8 | Q366 H367 D373 Q374 | Q366-R370 VanDerWaalsContact O-CG 3.25Å; Q366-R370 WeakPolarHBondContact O-CG 3.33Å; Q366-R370 PolarHBondContact O-N 3.21Å; Q366-R370 VanDerWaalsContact O-N 3.08Å; H367-R370 PolarHBondContact O-N 2.84Å; R370-D373 WeakPolarHBondContact CA-OD2 3.23Å; R370-Q374 WeakPolarHBondContact O-CB 3.35Å; R370-Q374 VanDerWaalsContact O-CG 3.23Å; R370-Q374 WeakPolarHBondContact O-CG 3.25Å; R370-Q374 PolarHBondContact O-N 2.87Å; R370-Q374 PolarHBondContact O-NE2 2.85Å |
| 371 | N | 96.6 | Very high | 96 | Very high | 65 Ų | 65 | 91 Ų | 91 | 35% | 0.348 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.6 | -37.4 | 175.6 | -67.5 | -12.1 | 0 | 0 | 0 | 112.2 | H367 M368 R369 S375 | H367-N371 PolarHBondContact CD2-ND2 3.1Å; H367-N371 PolarHBondContact CE1-ND2 2.97Å; H367-N371 PolarHBondContact CE1-OD1 3.28Å; H367-N371 PolarHBondContact NE2-ND2 3.42Å; H367-N371 WeakPolarHBondContact O-CB 3.36Å; H367-N371 PolarHBondContact O-N 3.19Å; H367-N371 PolarHBondContact O-ND2 3.16Å; H367-N371 PolarHBondContact O-OD1 3.09Å; M368-N371 PolarHBondContact O-N 2.89Å; R369-N371 PolarHBondContact O-N 2.8Å; R369-N371 VanDerWaalsContact O-N 3.14Å; N371-S375 WeakPolarHBondContact O-CB 3.48Å; N371-S375 PolarHBondContact O-N 3.2Å; N371-S375 PolarHBondContact O-OG 3.43Å |
| 372 | L | 97 | Very high | 96.1 | Very high | 107 Ų | 107 | 88.6 Ų | 88.6 | 56% | 0.56 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.4 | -51.6 | 171.8 | -171.9 | 76.6 | 0 | 0 | 0 | 109.7 | M368 R369 Q374 S375 E376 | M368-L372 WeakPolarHBondContact O-CB 3.37Å; M368-L372 PolarHBondContact O-N 3.28Å; R369-L372 CarbonylContact O-C 3.5Å; R369-L372 WeakPolarHBondContact O-CA 3.44Å; R369-L372 VanDerWaalsContact O-CB 3.31Å; R369-L372 WeakPolarHBondContact O-CB 3.24Å; R369-L372 PolarHBondContact O-N 3.39Å; L372-Q374 VanDerWaalsContact C-N 3.3Å; L372-Q374 PolarHBondContact O-N 3.49Å; L372-S375 WeakPolarHBondContact CA-OG 3.5Å; L372-S375 CarbonylContact O-C 3.56Å; L372-S375 WeakPolarHBondContact O-CA 3.28Å; L372-S375 PolarHBondContact O-N 2.96Å; L372-S375 PolarHBondContact O-OG 3.09Å; L372-E376 PolarHBondContact O-N 2.79Å |
| 373 | D | 96.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 91.2 Ų | 91.2 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.9 | -44.1 | 178.8 | -51.5 | -31.5 | 0 | 0 | 0 | 111.2 | R369 R370 E376 A377 | R369-D373 PolarHBondContact O-N 2.74Å; R369-D373 VanDerWaalsContact O-OD2 3.13Å; R370-D373 WeakPolarHBondContact CA-OD2 3.23Å; D373-E376 PolarHBondContact O-N 3.32Å; D373-A377 WeakPolarHBondContact O-CB 3.45Å; D373-A377 PolarHBondContact O-N 2.87Å |
| 374 | Q | 95.8 | Very high | 96.2 | Very high | 126 Ų | 126 | 94.1 Ų | 94.1 | 59% | 0.589 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 174.1 | -78.4 | 166.7 | 71.7 | 0 | 0 | 112.6 | R370 L372 A378 | R370-Q374 WeakPolarHBondContact O-CB 3.35Å; R370-Q374 VanDerWaalsContact O-CG 3.23Å; R370-Q374 WeakPolarHBondContact O-CG 3.25Å; R370-Q374 PolarHBondContact O-N 2.87Å; R370-Q374 PolarHBondContact O-NE2 2.85Å; L372-Q374 VanDerWaalsContact C-N 3.3Å; L372-Q374 PolarHBondContact O-N 3.49Å; Q374-A378 VanDerWaalsContact O-CB 3.3Å; Q374-A378 WeakPolarHBondContact O-CB 3.42Å; Q374-A378 PolarHBondContact O-N 2.66Å |
| 375 | S | 96 | Very high | 96.3 | Very high | 53 Ų | 53 | 94.4 Ų | 94.4 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 177.9 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | N371 L372 A378 I379 | N371-S375 WeakPolarHBondContact O-CB 3.48Å; N371-S375 PolarHBondContact O-N 3.2Å; N371-S375 PolarHBondContact O-OG 3.43Å; L372-S375 WeakPolarHBondContact CA-OG 3.5Å; L372-S375 CarbonylContact O-C 3.56Å; L372-S375 WeakPolarHBondContact O-CA 3.28Å; L372-S375 PolarHBondContact O-N 2.96Å; L372-S375 PolarHBondContact O-OG 3.09Å; S375-A378 PolarHBondContact O-N 3.31Å; S375-I379 WeakPolarHBondContact O-CB 3.39Å; S375-I379 WeakPolarHBondContact O-CD1 3.42Å; S375-I379 WeakPolarHBondContact O-CG1 3.33Å; S375-I379 PolarHBondContact O-N 3.09Å |
| 376 | E | 96.2 | Very high | 96.4 | Very high | 109 Ų | 109 | 97.1 Ų | 97.1 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 174.5 | -178.1 | 170.1 | 176.8 | 0 | 0 | 110.5 | L372 D373 A378 I379 I380 | L372-E376 PolarHBondContact O-N 2.79Å; D373-E376 PolarHBondContact O-N 3.32Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 PolarHBondContact O-N 2.69Å; E376-I379 PolarHBondContact O-N 3.48Å; E376-I379 VanDerWaalsContact O-N 3.12Å; E376-I380 HydrophobicContact CG-CD1 3.95Å; E376-I380 HydrophobicContact CG-CG1 4.49Å; E376-I380 VanDerWaalsContact O-CG1 3.32Å; E376-I380 WeakPolarHBondContact O-CG1 3.47Å; E376-I380 PolarHBondContact O-N 3.06Å |
| 377 | A | 96.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | D373 I380 Q381 | D373-A377 WeakPolarHBondContact O-CB 3.45Å; D373-A377 PolarHBondContact O-N 2.87Å; A377-I380 PolarHBondContact O-N 2.95Å; A377-Q381 WeakPolarHBondContact O-CB 3.46Å; A377-Q381 PolarHBondContact O-N 2.84Å |
| 378 | A | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 102.5 Ų | 102.5 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q374 S375 E376 V382 | Q374-A378 VanDerWaalsContact O-CB 3.3Å; Q374-A378 WeakPolarHBondContact O-CB 3.42Å; Q374-A378 PolarHBondContact O-N 2.66Å; S375-A378 PolarHBondContact O-N 3.31Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 PolarHBondContact O-N 2.69Å; A378-V382 WeakPolarHBondContact O-CB 3.37Å; A378-V382 VanDerWaalsContact O-CG2 3.25Å; A378-V382 WeakPolarHBondContact O-CG2 3.35Å; A378-V382 PolarHBondContact O-N 2.74Å |
| 379 | I | 94.4 | Very high | 96.6 | Very high | 96 Ų | 96 | 99.3 Ų | 99.3 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 174.1 | -74.4 | 163.3 | 0 | 0 | 0 | 110.3 | S375 E376 V382 F383 | S375-I379 WeakPolarHBondContact O-CB 3.39Å; S375-I379 WeakPolarHBondContact O-CD1 3.42Å; S375-I379 WeakPolarHBondContact O-CG1 3.33Å; S375-I379 PolarHBondContact O-N 3.09Å; E376-I379 PolarHBondContact O-N 3.48Å; E376-I379 VanDerWaalsContact O-N 3.12Å; I379-V382 PolarHBondContact O-N 2.93Å; I379-F383 HydrophobicContact CG2-CD2 3.77Å; I379-F383 HydrophobicContact CG2-CE2 3.73Å; I379-F383 VanDerWaalsContact O-CD2 3.25Å; I379-F383 WeakPolarHBondContact O-CD2 3.4Å; I379-F383 PolarHBondContact O-N 3.33Å |
| 380 | I | 96.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 41% | 0.41 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -52.1 | 176.9 | -67.6 | 169.8 | 0 | 0 | 0 | 109.9 | E376 A377 V382 F383 E384 | E376-I380 HydrophobicContact CG-CD1 3.95Å; E376-I380 HydrophobicContact CG-CG1 4.49Å; E376-I380 VanDerWaalsContact O-CG1 3.32Å; E376-I380 WeakPolarHBondContact O-CG1 3.47Å; E376-I380 PolarHBondContact O-N 3.06Å; A377-I380 PolarHBondContact O-N 2.95Å; I380-V382 VanDerWaalsContact C-N 3.31Å; I380-V382 PolarHBondContact O-N 3.15Å; I380-F383 WeakPolarHBondContact O-CA 3.49Å; I380-F383 PolarHBondContact O-N 3.38Å; I380-E384 HydrophobicContact CG2-CG 4.26Å; I380-E384 WeakPolarHBondContact O-CG 3.36Å; I380-E384 PolarHBondContact O-N 3.49Å |
| 381 | Q | 97.1 | Very high | 96.6 | Very high | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -54.9 | -45.1 | 177.2 | -178.3 | -176.8 | -10.8 | 0 | 0 | 111.7 | A377 F383 E384 E385 | A377-Q381 WeakPolarHBondContact O-CB 3.46Å; A377-Q381 PolarHBondContact O-N 2.84Å; Q381-F383 VanDerWaalsContact C-N 3.31Å; Q381-F383 PolarHBondContact O-N 3.46Å; Q381-E384 PolarHBondContact O-N 2.93Å; Q381-E385 HydrophobicContact CG-CG 4.29Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.4Å; Q381-E385 PolarHBondContact NE2-OE1 3.41Å; Q381-E385 VanDerWaalsContact O-CB 3.31Å; Q381-E385 WeakPolarHBondContact O-CB 3.5Å; Q381-E385 WeakPolarHBondContact O-CG 3.35Å; Q381-E385 PolarHBondContact O-N 2.8Å |
| 382 | V | 97.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 100.5 Ų | 100.5 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 178.6 | 166.8 | 0 | 0 | 0 | 0 | 112.3 | A378 I379 I380 K386 | A378-V382 WeakPolarHBondContact O-CB 3.37Å; A378-V382 VanDerWaalsContact O-CG2 3.25Å; A378-V382 WeakPolarHBondContact O-CG2 3.35Å; A378-V382 PolarHBondContact O-N 2.74Å; I379-V382 PolarHBondContact O-N 2.93Å; I380-V382 VanDerWaalsContact C-N 3.31Å; I380-V382 PolarHBondContact O-N 3.15Å; V382-K386 HydrophobicContact CG1-CD 4.09Å; V382-K386 VanDerWaalsContact O-CB 3.29Å; V382-K386 WeakPolarHBondContact O-CB 3.27Å; V382-K386 VanDerWaalsContact O-CD 3.32Å; V382-K386 WeakPolarHBondContact O-CD 3.45Å; V382-K386 WeakPolarHBondContact O-CG 3.49Å; V382-K386 PolarHBondContact O-N 3.44Å; V382-K386 VanDerWaalsContact O-N 3.15Å |
| 383 | F | 97.3 | Very high | 96.7 | Very high | 141 Ų | 141 | 100.3 Ų | 100.3 | 62% | 0.618 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.8 | -45.7 | 172.3 | -84.8 | -67.2 | 0 | 0 | 0 | 112.2 | I379 I380 Q381 K386 Q387 | I379-F383 HydrophobicContact CG2-CD2 3.77Å; I379-F383 HydrophobicContact CG2-CE2 3.73Å; I379-F383 VanDerWaalsContact O-CD2 3.25Å; I379-F383 WeakPolarHBondContact O-CD2 3.4Å; I379-F383 PolarHBondContact O-N 3.33Å; I380-F383 WeakPolarHBondContact O-CA 3.49Å; I380-F383 PolarHBondContact O-N 3.38Å; Q381-F383 VanDerWaalsContact C-N 3.31Å; Q381-F383 PolarHBondContact O-N 3.46Å; F383-K386 PolarHBondContact O-N 3.06Å; F383-Q387 PolarHBondContact O-N 3.28Å |
| 384 | E | 97 | Very high | 96.8 | Very high | 126 Ų | 126 | 99.5 Ų | 99.5 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 176.5 | -69.6 | -178.3 | 166 | 0 | 0 | 111.8 | I380 Q381 K386 Q387 R388 | I380-E384 HydrophobicContact CG2-CG 4.26Å; I380-E384 WeakPolarHBondContact O-CG 3.36Å; I380-E384 PolarHBondContact O-N 3.49Å; Q381-E384 PolarHBondContact O-N 2.93Å; E384-K386 PolarHBondContact O-N 2.69Å; E384-Q387 PolarHBondContact O-N 3.5Å; E384-R388 WeakPolarHBondContact O-CB 3.25Å; E384-R388 PolarHBondContact O-N 2.84Å |
| 385 | E | 96.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.1 | -76.9 | -175.6 | -166.9 | 0 | 0 | 111.8 | Q381 R388 V389 | Q381-E385 HydrophobicContact CG-CG 4.29Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.4Å; Q381-E385 PolarHBondContact NE2-OE1 3.41Å; Q381-E385 VanDerWaalsContact O-CB 3.31Å; Q381-E385 WeakPolarHBondContact O-CB 3.5Å; Q381-E385 WeakPolarHBondContact O-CG 3.35Å; Q381-E385 PolarHBondContact O-N 2.8Å; E385-R388 CarbonylContact O-C 3.59Å; E385-R388 PolarHBondContact O-N 3.29Å; E385-V389 VanDerWaalsContact O-CG2 3.31Å; E385-V389 WeakPolarHBondContact O-CG2 3.45Å; E385-V389 PolarHBondContact O-N 3.38Å |
| 386 | K | 97.1 | Very high | 96.9 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.5 | -80.3 | 170 | -175.8 | 168.1 | 0 | 111.7 | V382 F383 E384 R388 V389 W390 | V382-K386 HydrophobicContact CG1-CD 4.09Å; V382-K386 VanDerWaalsContact O-CB 3.29Å; V382-K386 WeakPolarHBondContact O-CB 3.27Å; V382-K386 VanDerWaalsContact O-CD 3.32Å; V382-K386 WeakPolarHBondContact O-CD 3.45Å; V382-K386 WeakPolarHBondContact O-CG 3.49Å; V382-K386 PolarHBondContact O-N 3.44Å; V382-K386 VanDerWaalsContact O-N 3.15Å; F383-K386 PolarHBondContact O-N 3.06Å; E384-K386 PolarHBondContact O-N 2.69Å; K386-R388 VanDerWaalsContact C-N 3.34Å; K386-R388 PolarHBondContact O-N 3.03Å; K386-V389 WeakPolarHBondContact O-CB 3.4Å; K386-V389 PolarHBondContact O-N 2.88Å; K386-V389 VanDerWaalsContact O-N 3.17Å; K386-W390 VanDerWaalsContact O-CD1 3.27Å; K386-W390 PolarHBondContact O-N 3.33Å |
| 387 | Q | 96.6 | Very high | 97 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.5 | -48.1 | 174.2 | 178.2 | 175.8 | -27.1 | 0 | 0 | 110.4 | F383 E384 V389 W390 E391 | F383-Q387 PolarHBondContact O-N 3.28Å; E384-Q387 PolarHBondContact O-N 3.5Å; Q387-V389 PolarHBondContact O-N 2.91Å; Q387-W390 WeakPolarHBondContact O-CB 3.47Å; Q387-W390 PolarHBondContact O-N 2.86Å; Q387-W390 VanDerWaalsContact O-N 3.07Å; Q387-E391 HydrophobicContact CG-CG 4.32Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.49Å; Q387-E391 PolarHBondContact NE2-OE1 3.41Å; Q387-E391 WeakPolarHBondContact O-CG 3.42Å; Q387-E391 PolarHBondContact O-N 3.38Å |
| 388 | R | 97.8 | Very high | 97 | Very high | 151 Ų | 151 | 103.5 Ų | 103.5 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66 | -21.7 | 178.1 | -154.2 | -179.5 | 78.8 | 91.5 | -5 | 113.3 | E384 E385 K386 R392 | E384-R388 WeakPolarHBondContact O-CB 3.25Å; E384-R388 PolarHBondContact O-N 2.84Å; E385-R388 CarbonylContact O-C 3.59Å; E385-R388 PolarHBondContact O-N 3.29Å; K386-R388 VanDerWaalsContact C-N 3.34Å; K386-R388 PolarHBondContact O-N 3.03Å; R388-R392 WeakPolarHBondContact O-CG 3.32Å; R388-R392 PolarHBondContact O-NE 2.99Å; R388-R392 PolarHBondContact O-NH2 3.41Å |
| 389 | V | 97 | Very high | 97.1 | Very high | 54 Ų | 54 | 107.4 Ų | 107.4 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.1 | -49.2 | 167.7 | 168 | 0 | 0 | 0 | 0 | 110.4 | E385 K386 Q387 E391 R392 Q393 | E385-V389 VanDerWaalsContact O-CG2 3.31Å; E385-V389 WeakPolarHBondContact O-CG2 3.45Å; E385-V389 PolarHBondContact O-N 3.38Å; K386-V389 WeakPolarHBondContact O-CB 3.4Å; K386-V389 PolarHBondContact O-N 2.88Å; K386-V389 VanDerWaalsContact O-N 3.17Å; Q387-V389 PolarHBondContact O-N 2.91Å; V389-E391 PolarHBondContact O-N 3.43Å; V389-R392 PolarHBondContact O-N 2.88Å; V389-Q393 HydrophobicContact CG1-CG 4.28Å; V389-Q393 WeakPolarHBondContact O-CB 3.47Å; V389-Q393 WeakPolarHBondContact O-CG 3.29Å; V389-Q393 PolarHBondContact O-N 2.97Å |
| 390 | W | 97.3 | Very high | 97.3 | Very high | 174 Ų | 174 | 108.1 Ų | 108.1 | 66% | 0.659 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.2 | -44.4 | 178.7 | -88.8 | 104.8 | 0 | 0 | 0 | 112.7 | K386 Q387 Q393 M394 | K386-W390 VanDerWaalsContact O-CD1 3.27Å; K386-W390 PolarHBondContact O-N 3.33Å; Q387-W390 WeakPolarHBondContact O-CB 3.47Å; Q387-W390 PolarHBondContact O-N 2.86Å; Q387-W390 VanDerWaalsContact O-N 3.07Å; W390-Q393 PolarHBondContact O-N 3.3Å; W390-M394 WeakPolarHBondContact O-CB 3.16Å; W390-M394 WeakPolarHBondContact O-CG 3.48Å; W390-M394 PolarHBondContact O-N 2.96Å |
| 391 | E | 97.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 112 Ų | 112 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 176.7 | -72.3 | 167.5 | 173 | 0 | 0 | 111.4 | Q387 V389 M394 D395 | Q387-E391 HydrophobicContact CG-CG 4.32Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.49Å; Q387-E391 PolarHBondContact NE2-OE1 3.41Å; Q387-E391 WeakPolarHBondContact O-CG 3.42Å; Q387-E391 PolarHBondContact O-N 3.38Å; V389-E391 PolarHBondContact O-N 3.43Å; E391-M394 PolarHBondContact O-N 3.48Å; E391-D395 PolarHBondContact O-N 3.07Å |
| 392 | R | 97.3 | Very high | 97.4 | Very high | 103 Ų | 103 | 109 Ų | 109 | 39% | 0.389 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.9 | -78.8 | 179.6 | -71.1 | 134.2 | -3.1 | 112.4 | R388 V389 M394 D395 E396 | R388-R392 WeakPolarHBondContact O-CG 3.32Å; R388-R392 PolarHBondContact O-NE 2.99Å; R388-R392 PolarHBondContact O-NH2 3.41Å; V389-R392 PolarHBondContact O-N 2.88Å; R392-M394 VanDerWaalsContact C-N 3.29Å; R392-M394 PolarHBondContact O-N 2.91Å; R392-D395 PolarHBondContact O-N 2.89Å; R392-E396 WeakPolarHBondContact O-CB 3.39Å; R392-E396 VanDerWaalsContact O-CG 3.26Å; R392-E396 WeakPolarHBondContact O-CG 3.33Å; R392-E396 PolarHBondContact O-N 2.95Å |
| 393 | Q | 97.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 109.5 Ų | 109.5 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.3 | -74.5 | -179.7 | -21 | 0 | 0 | 112.1 | V389 W390 L397 | V389-Q393 HydrophobicContact CG1-CG 4.28Å; V389-Q393 WeakPolarHBondContact O-CB 3.47Å; V389-Q393 WeakPolarHBondContact O-CG 3.29Å; V389-Q393 PolarHBondContact O-N 2.97Å; W390-Q393 PolarHBondContact O-N 3.3Å; Q393-L397 VanDerWaalsContact O-CB 3.25Å; Q393-L397 WeakPolarHBondContact O-CB 3.44Å; Q393-L397 PolarHBondContact O-N 3.46Å |
| 394 | M | 97.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 110.4 Ų | 110.4 | 36% | 0.36 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 174.2 | -76.6 | -57.2 | -51.4 | 0 | 0 | 112.6 | W390 E391 R392 L397 R398 | W390-M394 WeakPolarHBondContact O-CB 3.16Å; W390-M394 WeakPolarHBondContact O-CG 3.48Å; W390-M394 PolarHBondContact O-N 2.96Å; E391-M394 PolarHBondContact O-N 3.48Å; R392-M394 VanDerWaalsContact C-N 3.29Å; R392-M394 PolarHBondContact O-N 2.91Å; M394-L397 PolarHBondContact O-N 3.44Å; M394-L397 HydrophobicContact SD-CD2 4.42Å; M394-R398 WeakPolarHBondContact O-CB 3.42Å; M394-R398 WeakPolarHBondContact O-CD 3.4Å; M394-R398 WeakPolarHBondContact O-CG 3.34Å; M394-R398 PolarHBondContact O-N 3.13Å |
| 395 | D | 97.3 | Very high | 97.5 | Very high | 74 Ų | 74 | 108.6 Ų | 108.6 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73 | -38.4 | 175.4 | -77.4 | -24.3 | 0 | 0 | 0 | 112.9 | E391 R392 L397 R398 Q399 | E391-D395 PolarHBondContact O-N 3.07Å; R392-D395 PolarHBondContact O-N 2.89Å; D395-L397 VanDerWaalsContact C-N 3.31Å; D395-L397 PolarHBondContact O-N 3.43Å; D395-R398 PolarHBondContact O-N 2.91Å; D395-R398 VanDerWaalsContact OD1-CD 3.32Å; D395-R398 WeakPolarHBondContact OD1-CD 3.29Å; D395-R398 IonicContact OD1-CZ 2.65Å; D395-R398 IonicContact OD1-NE 2.73Å; D395-R398 IonicContact OD1-NH1 2.73Å; D395-R398 PolarHBondContact OD1-NH1 2.9Å; D395-Q399 WeakPolarHBondContact O-CB 3.31Å; D395-Q399 VanDerWaalsContact O-CG 3.24Å; D395-Q399 WeakPolarHBondContact O-CG 3.44Å; D395-Q399 PolarHBondContact O-N 3.35Å |
| 396 | E | 97.3 | Very high | 97.6 | Very high | 102 Ų | 102 | 109.1 Ų | 109.1 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 168.2 | -74.5 | 167.9 | -151 | 0 | 0 | 110.5 | R392 Q399 N400 | R392-E396 WeakPolarHBondContact O-CB 3.39Å; R392-E396 VanDerWaalsContact O-CG 3.26Å; R392-E396 WeakPolarHBondContact O-CG 3.33Å; R392-E396 PolarHBondContact O-N 2.95Å; E396-Q399 PolarHBondContact O-N 3.07Å; E396-N400 VanDerWaalsContact O-CB 3.27Å; E396-N400 WeakPolarHBondContact O-CB 3.48Å; E396-N400 PolarHBondContact O-N 2.81Å; E396-N400 PolarHBondContact O-ND2 3.19Å |
| 397 | L | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 108.9 Ų | 108.9 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 176.5 | -177.2 | 61 | 0 | 0 | 0 | 112.2 | Q393 M394 D395 N400 Y401 | Q393-L397 VanDerWaalsContact O-CB 3.25Å; Q393-L397 WeakPolarHBondContact O-CB 3.44Å; Q393-L397 PolarHBondContact O-N 3.46Å; M394-L397 PolarHBondContact O-N 3.44Å; M394-L397 HydrophobicContact SD-CD2 4.42Å; D395-L397 VanDerWaalsContact C-N 3.31Å; D395-L397 PolarHBondContact O-N 3.43Å; L397-N400 PolarHBondContact O-N 3.24Å; L397-Y401 WeakPolarHBondContact O-CB 3.42Å; L397-Y401 PolarHBondContact O-N 3.26Å |
| 398 | R | 98.1 | Very high | 97.7 | Very high | 145 Ų | 145 | 107.1 Ų | 107.1 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.2 | -73 | 160.2 | -179 | 151.7 | 1.3 | 111.5 | M394 D395 Y401 A402 | M394-R398 WeakPolarHBondContact O-CB 3.42Å; M394-R398 WeakPolarHBondContact O-CD 3.4Å; M394-R398 WeakPolarHBondContact O-CG 3.34Å; M394-R398 PolarHBondContact O-N 3.13Å; D395-R398 PolarHBondContact O-N 2.91Å; D395-R398 VanDerWaalsContact OD1-CD 3.32Å; D395-R398 WeakPolarHBondContact OD1-CD 3.29Å; D395-R398 IonicContact OD1-CZ 2.65Å; D395-R398 IonicContact OD1-NE 2.73Å; D395-R398 IonicContact OD1-NH1 2.73Å; D395-R398 PolarHBondContact OD1-NH1 2.9Å; R398-Y401 PolarHBondContact O-N 2.79Å; R398-A402 WeakPolarHBondContact O-CB 3.47Å; R398-A402 PolarHBondContact O-N 2.93Å |
| 399 | Q | 97.8 | Very high | 97.7 | Very high | 130 Ų | 130 | 103.8 Ų | 103.8 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 178.8 | -71.9 | 177.7 | 30.6 | 0 | 0 | 112.1 | D395 E396 S403 | D395-Q399 WeakPolarHBondContact O-CB 3.31Å; D395-Q399 VanDerWaalsContact O-CG 3.24Å; D395-Q399 WeakPolarHBondContact O-CG 3.44Å; D395-Q399 PolarHBondContact O-N 3.35Å; E396-Q399 PolarHBondContact O-N 3.07Å; Q399-S403 WeakPolarHBondContact O-CB 3.46Å; Q399-S403 PolarHBondContact O-N 2.99Å; Q399-S403 PolarHBondContact O-OG 3.09Å |
| 400 | N | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 108.7 Ų | 108.7 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 173.8 | -85.9 | -72.4 | 0 | 0 | 0 | 111.4 | E396 L397 S403 R404 | E396-N400 VanDerWaalsContact O-CB 3.27Å; E396-N400 WeakPolarHBondContact O-CB 3.48Å; E396-N400 PolarHBondContact O-N 2.81Å; E396-N400 PolarHBondContact O-ND2 3.19Å; L397-N400 PolarHBondContact O-N 3.24Å; N400-S403 PolarHBondContact O-N 3.49Å; N400-R404 WeakPolarHBondContact O-CB 3.32Å; N400-R404 PolarHBondContact O-N 2.93Å |
| 401 | Y | 97.9 | Very high | 97.8 | Very high | 162 Ų | 162 | 110 Ų | 110 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -48.5 | 176.4 | -179.4 | -99.7 | 0 | 0 | 0 | 112.1 | L397 R398 S403 R404 L405 | L397-Y401 WeakPolarHBondContact O-CB 3.42Å; L397-Y401 PolarHBondContact O-N 3.26Å; R398-Y401 PolarHBondContact O-N 2.79Å; Y401-S403 PolarHBondContact O-N 3.34Å; Y401-R404 PolarHBondContact O-N 3.42Å; Y401-L405 HydrophobicContact CE1-CD2 4.26Å; Y401-L405 WeakPolarHBondContact O-CB 3.36Å; Y401-L405 PolarHBondContact O-N 2.88Å |
| 402 | A | 98 | Very high | 97.8 | Very high | 45 Ų | 45 | 108.1 Ų | 108.1 | 37% | 0.372 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R398 L405 Q406 | R398-A402 WeakPolarHBondContact O-CB 3.47Å; R398-A402 PolarHBondContact O-N 2.93Å; A402-L405 PolarHBondContact O-N 3.48Å; A402-Q406 WeakPolarHBondContact O-CG 3.43Å; A402-Q406 PolarHBondContact O-N 3.42Å |
| 403 | S | 97.9 | Very high | 97.9 | Very high | 77 Ų | 77 | 108.3 Ų | 108.3 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | Q399 N400 Y401 Q406 Q407 | Q399-S403 WeakPolarHBondContact O-CB 3.46Å; Q399-S403 PolarHBondContact O-N 2.99Å; Q399-S403 PolarHBondContact O-OG 3.09Å; N400-S403 PolarHBondContact O-N 3.49Å; Y401-S403 PolarHBondContact O-N 3.34Å; S403-Q406 PolarHBondContact O-N 3.36Å; S403-Q407 WeakPolarHBondContact O-CB 3.37Å; S403-Q407 PolarHBondContact O-N 2.94Å |
| 404 | R | 98.3 | Very high | 97.9 | Very high | 161 Ų | 161 | 112.4 Ų | 112.4 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -41.4 | 177.4 | -172.9 | 56.9 | 159.5 | -156.5 | -12.8 | 111.8 | N400 Y401 Q407 V408 | N400-R404 WeakPolarHBondContact O-CB 3.32Å; N400-R404 PolarHBondContact O-N 2.93Å; Y401-R404 PolarHBondContact O-N 3.42Å; R404-Q407 WeakPolarHBondContact O-CB 3.49Å; R404-Q407 PolarHBondContact O-N 3.07Å; R404-V408 WeakPolarHBondContact O-CG2 3.39Å; R404-V408 PolarHBondContact O-N 3.36Å |
| 405 | L | 98.2 | Very high | 97.9 | Very high | 88 Ų | 88 | 111.8 Ų | 111.8 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 174.3 | -178 | 59.3 | 0 | 0 | 0 | 110.6 | Y401 A402 Q407 V408 T409 | Y401-L405 HydrophobicContact CE1-CD2 4.26Å; Y401-L405 WeakPolarHBondContact O-CB 3.36Å; Y401-L405 PolarHBondContact O-N 2.88Å; A402-L405 PolarHBondContact O-N 3.48Å; L405-Q407 VanDerWaalsContact C-N 3.3Å; L405-Q407 PolarHBondContact O-N 2.98Å; L405-V408 PolarHBondContact O-N 3.46Å; L405-T409 PolarHBondContact O-N 3.33Å; L405-T409 PolarHBondContact O-OG1 3.48Å; L405-T409 VanDerWaalsContact O-OG1 3.13Å |
| 406 | Q | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 113.8 Ų | 113.8 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 174 | -74.4 | -165.8 | 34.6 | 0 | 0 | 112.7 | A402 S403 R410 | A402-Q406 WeakPolarHBondContact O-CG 3.43Å; A402-Q406 PolarHBondContact O-N 3.42Å; S403-Q406 PolarHBondContact O-N 3.36Å; Q406-R410 VanDerWaalsContact O-CB 3.28Å; Q406-R410 WeakPolarHBondContact O-CB 3.38Å; Q406-R410 WeakPolarHBondContact O-CG 3.41Å; Q406-R410 PolarHBondContact O-N 2.9Å |
| 407 | Q | 97.9 | Very high | 98 | Very high | 112 Ų | 112 | 112.8 Ų | 112.8 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 176 | -174.9 | -175.1 | 46.5 | 0 | 0 | 111.3 | S403 R404 L405 R411 | S403-Q407 WeakPolarHBondContact O-CB 3.37Å; S403-Q407 PolarHBondContact O-N 2.94Å; R404-Q407 WeakPolarHBondContact O-CB 3.49Å; R404-Q407 PolarHBondContact O-N 3.07Å; L405-Q407 VanDerWaalsContact C-N 3.3Å; L405-Q407 PolarHBondContact O-N 2.98Å; Q407-R411 VanDerWaalsContact O-CB 3.3Å; Q407-R411 WeakPolarHBondContact O-CB 3.48Å; Q407-R411 PolarHBondContact O-N 3.33Å |
| 408 | V | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 110.5 Ų | 110.5 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 177.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | R404 L405 R410 R411 A412 | R404-V408 WeakPolarHBondContact O-CG2 3.39Å; R404-V408 PolarHBondContact O-N 3.36Å; L405-V408 PolarHBondContact O-N 3.46Å; V408-R410 PolarHBondContact O-N 3.02Å; V408-R411 PolarHBondContact O-N 2.95Å; V408-A412 WeakPolarHBondContact O-CB 3.37Å; V408-A412 PolarHBondContact O-N 3.1Å |
| 409 | T | 97.7 | Very high | 98.1 | Very high | 81 Ų | 81 | 108.4 Ų | 108.4 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 112 | L405 R411 A412 Q413 | L405-T409 PolarHBondContact O-N 3.33Å; L405-T409 PolarHBondContact O-OG1 3.48Å; L405-T409 VanDerWaalsContact O-OG1 3.13Å; T409-R411 VanDerWaalsContact C-N 3.32Å; T409-R411 PolarHBondContact O-N 2.9Å; T409-A412 PolarHBondContact O-N 3.17Å; T409-Q413 WeakPolarHBondContact O-CB 3.48Å; T409-Q413 PolarHBondContact O-N 3.13Å |
| 410 | R | 98.1 | Very high | 98.1 | Very high | 157 Ų | 157 | 107.4 Ų | 107.4 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -34.3 | 175.7 | -70.4 | 175.1 | -167.5 | -110 | 9.6 | 112.2 | Q406 V408 R414 | Q406-R410 VanDerWaalsContact O-CB 3.28Å; Q406-R410 WeakPolarHBondContact O-CB 3.38Å; Q406-R410 WeakPolarHBondContact O-CG 3.41Å; Q406-R410 PolarHBondContact O-N 2.9Å; V408-R410 PolarHBondContact O-N 3.02Å; R410-R414 VanDerWaalsContact O-CG 3.25Å; R410-R414 WeakPolarHBondContact O-CG 3.29Å; R410-R414 PolarHBondContact O-N 3.19Å |
| 411 | R | 97.9 | Very high | 98.1 | Very high | 200 Ų | 200 | 104.9 Ų | 104.9 | 76% | 0.755 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -46.9 | 174.1 | -176 | 175.6 | 179.6 | 167.4 | 0.1 | 111.3 | Q407 V408 T409 Q413 R414 S415 | Q407-R411 VanDerWaalsContact O-CB 3.3Å; Q407-R411 WeakPolarHBondContact O-CB 3.48Å; Q407-R411 PolarHBondContact O-N 3.33Å; V408-R411 PolarHBondContact O-N 2.95Å; T409-R411 VanDerWaalsContact C-N 3.32Å; T409-R411 PolarHBondContact O-N 2.9Å; R411-Q413 PolarHBondContact O-N 3.49Å; R411-R414 PolarHBondContact O-N 3.43Å; R411-S415 PolarHBondContact O-N 3.22Å; R411-S415 PolarHBondContact O-OG 3.06Å; R411-S415 VanDerWaalsContact O-OG 3.1Å |
| 412 | A | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 102.5 Ų | 102.5 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V408 T409 R414 S415 Q416 | V408-A412 WeakPolarHBondContact O-CB 3.37Å; V408-A412 PolarHBondContact O-N 3.1Å; T409-A412 PolarHBondContact O-N 3.17Å; A412-R414 PolarHBondContact O-N 2.76Å; A412-S415 WeakPolarHBondContact CA-OG 3.32Å; A412-S415 PolarHBondContact O-N 2.73Å; A412-S415 PolarHBondContact O-OG 3.41Å; A412-Q416 WeakPolarHBondContact O-CB 3.36Å; A412-Q416 PolarHBondContact O-N 3.05Å |
| 413 | Q | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 104.7 Ų | 104.7 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.4 | -167.2 | 67.5 | 28 | 0 | 0 | 112.1 | T409 R411 Q416 T417 | T409-Q413 WeakPolarHBondContact O-CB 3.48Å; T409-Q413 PolarHBondContact O-N 3.13Å; R411-Q413 PolarHBondContact O-N 3.49Å; Q413-Q416 PolarHBondContact O-N 3.32Å; Q413-T417 PolarHBondContact O-N 3.1Å; Q413-T417 PolarHBondContact O-OG1 2.65Å |
| 414 | R | 98.2 | Very high | 98.2 | Very high | 188 Ų | 188 | 104.8 Ų | 104.8 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 176.8 | -73.9 | 170.7 | -177.6 | 179.2 | 0.4 | 112.6 | R410 R411 A412 T417 A418 | R410-R414 VanDerWaalsContact O-CG 3.25Å; R410-R414 WeakPolarHBondContact O-CG 3.29Å; R410-R414 PolarHBondContact O-N 3.19Å; R411-R414 PolarHBondContact O-N 3.43Å; A412-R414 PolarHBondContact O-N 2.76Å; R414-T417 PolarHBondContact O-OG1 2.91Å; R414-A418 WeakPolarHBondContact O-CB 3.24Å; R414-A418 PolarHBondContact O-N 3.23Å; R414-A418 VanDerWaalsContact O-N 3.13Å |
| 415 | S | 97.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 105.2 Ų | 105.2 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 172.3 | 39.9 | 0 | 0 | 0 | 0 | 112.2 | R411 A412 A418 L419 | R411-S415 PolarHBondContact O-N 3.22Å; R411-S415 PolarHBondContact O-OG 3.06Å; R411-S415 VanDerWaalsContact O-OG 3.1Å; A412-S415 WeakPolarHBondContact CA-OG 3.32Å; A412-S415 PolarHBondContact O-N 2.73Å; A412-S415 PolarHBondContact O-OG 3.41Å; S415-A418 PolarHBondContact O-N 3.32Å; S415-L419 WeakPolarHBondContact O-CB 3.46Å; S415-L419 VanDerWaalsContact O-CG 3.26Å; S415-L419 WeakPolarHBondContact O-CG 3.31Å; S415-L419 PolarHBondContact O-N 3.29Å |
| 416 | Q | 98.3 | Very high | 98.2 | Very high | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.5 | -174 | -179.8 | 0.1 | 0 | 0 | 111.8 | A412 Q413 L419 Q420 | A412-Q416 WeakPolarHBondContact O-CB 3.36Å; A412-Q416 PolarHBondContact O-N 3.05Å; Q413-Q416 PolarHBondContact O-N 3.32Å; Q416-L419 PolarHBondContact O-N 2.89Å; Q416-Q420 WeakPolarHBondContact O-CB 3.14Å; Q416-Q420 PolarHBondContact O-N 3.2Å |
| 417 | T | 98.1 | Very high | 98.2 | Very high | 80 Ų | 80 | 103.9 Ų | 103.9 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | Q413 R414 Q420 A421 | Q413-T417 PolarHBondContact O-N 3.1Å; Q413-T417 PolarHBondContact O-OG1 2.65Å; R414-T417 PolarHBondContact O-OG1 2.91Å; T417-Q420 PolarHBondContact O-N 2.99Å; T417-A421 WeakPolarHBondContact O-CB 3.46Å; T417-A421 PolarHBondContact O-N 3.09Å |
| 418 | A | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 104.7 Ų | 104.7 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R414 S415 A421 Q422 | R414-A418 WeakPolarHBondContact O-CB 3.24Å; R414-A418 PolarHBondContact O-N 3.23Å; R414-A418 VanDerWaalsContact O-N 3.13Å; S415-A418 PolarHBondContact O-N 3.32Å; A418-A421 PolarHBondContact O-N 2.91Å; A418-Q422 PolarHBondContact O-N 3.44Å |
| 419 | L | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 102.8 Ų | 102.8 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.3 | -72.8 | 169.4 | 0 | 0 | 0 | 111.7 | S415 Q416 A421 Q422 I423 | S415-L419 WeakPolarHBondContact O-CB 3.46Å; S415-L419 VanDerWaalsContact O-CG 3.26Å; S415-L419 WeakPolarHBondContact O-CG 3.31Å; S415-L419 PolarHBondContact O-N 3.29Å; Q416-L419 PolarHBondContact O-N 2.89Å; L419-A421 VanDerWaalsContact C-N 3.33Å; L419-A421 PolarHBondContact O-N 3.45Å; L419-Q422 WeakPolarHBondContact O-CB 3.24Å; L419-Q422 PolarHBondContact O-N 3.28Å; L419-Q422 VanDerWaalsContact O-N 3.15Å; L419-I423 VanDerWaalsContact O-CG1 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.36Å; L419-I423 PolarHBondContact O-N 3.36Å |
| 420 | Q | 98.5 | Very high | 98.3 | Very high | 110 Ų | 110 | 105.2 Ų | 105.2 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 175.9 | -170.1 | 63.5 | 30.6 | 0 | 0 | 111.7 | Q416 T417 Q422 I423 T424 | Q416-Q420 WeakPolarHBondContact O-CB 3.14Å; Q416-Q420 PolarHBondContact O-N 3.2Å; T417-Q420 PolarHBondContact O-N 2.99Å; Q420-Q422 VanDerWaalsContact C-N 3.33Å; Q420-I423 PolarHBondContact O-N 2.83Å; Q420-T424 PolarHBondContact O-N 3.06Å; Q420-T424 PolarHBondContact O-OG1 2.85Å |
| 421 | A | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -32.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | T417 A418 L419 T424 R425 | T417-A421 WeakPolarHBondContact O-CB 3.46Å; T417-A421 PolarHBondContact O-N 3.09Å; A418-A421 PolarHBondContact O-N 2.91Å; L419-A421 VanDerWaalsContact C-N 3.33Å; L419-A421 PolarHBondContact O-N 3.45Å; A421-T424 PolarHBondContact O-OG1 3.37Å; A421-T424 VanDerWaalsContact O-OG1 3.09Å; A421-R425 WeakPolarHBondContact O-CB 3.21Å; A421-R425 PolarHBondContact O-N 3.41Å; A421-R425 VanDerWaalsContact O-N 3.11Å |
| 422 | Q | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 172.3 | -169.8 | 178.5 | 7.3 | 0 | 0 | 111.6 | A418 L419 Q420 R425 L426 | A418-Q422 PolarHBondContact O-N 3.44Å; L419-Q422 WeakPolarHBondContact O-CB 3.24Å; L419-Q422 PolarHBondContact O-N 3.28Å; L419-Q422 VanDerWaalsContact O-N 3.15Å; Q420-Q422 VanDerWaalsContact C-N 3.33Å; Q422-R425 PolarHBondContact O-N 2.9Å; Q422-L426 HydrophobicContact CG-CD1 4.05Å; Q422-L426 HydrophobicContact CG-CG 4.48Å; Q422-L426 WeakPolarHBondContact O-CB 3.4Å; Q422-L426 VanDerWaalsContact O-CG 3.3Å; Q422-L426 WeakPolarHBondContact O-CG 3.31Å; Q422-L426 PolarHBondContact O-N 3.01Å |
| 423 | I | 98.4 | Very high | 98.4 | Very high | 92 Ų | 92 | 102.4 Ų | 102.4 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 177.5 | -69.6 | 163.6 | 0 | 0 | 0 | 111.1 | L419 Q420 L426 S427 | L419-I423 VanDerWaalsContact O-CG1 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.36Å; L419-I423 PolarHBondContact O-N 3.36Å; Q420-I423 PolarHBondContact O-N 2.83Å; I423-L426 PolarHBondContact O-N 3.45Å; I423-S427 WeakPolarHBondContact O-CB 3.15Å; I423-S427 PolarHBondContact O-N 3.12Å; I423-S427 PolarHBondContact O-OG 3.2Å |
| 424 | T | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 102.2 Ų | 102.2 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | Q420 A421 S427 Q428 | Q420-T424 PolarHBondContact O-N 3.06Å; Q420-T424 PolarHBondContact O-OG1 2.85Å; A421-T424 PolarHBondContact O-OG1 3.37Å; A421-T424 VanDerWaalsContact O-OG1 3.09Å; T424-S427 WeakPolarHBondContact O-CB 3.46Å; T424-S427 PolarHBondContact O-N 3.41Å; T424-Q428 PolarHBondContact O-N 2.95Å |
| 425 | R | 98.5 | Very high | 98.4 | Very high | 170 Ų | 170 | 98.5 Ų | 98.5 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.8 | -51.6 | 173.6 | 179.4 | 179.5 | 171.9 | 175.9 | 3 | 112 | A421 Q422 S427 Q428 D429 | A421-R425 WeakPolarHBondContact O-CB 3.21Å; A421-R425 PolarHBondContact O-N 3.41Å; A421-R425 VanDerWaalsContact O-N 3.11Å; Q422-R425 PolarHBondContact O-N 2.9Å; R425-S427 PolarHBondContact O-N 2.97Å; R425-Q428 WeakPolarHBondContact O-CB 3.39Å; R425-Q428 PolarHBondContact O-N 3.03Å; R425-D429 WeakPolarHBondContact CG-OD2 3.42Å; R425-D429 IonicContact NE-OD2 3.26Å; R425-D429 PolarHBondContact NE-OD2 3.4Å; R425-D429 PolarHBondContact O-N 3.16Å |
| 426 | L | 98.7 | Very high | 98.5 | Very high | 103 Ų | 103 | 99.6 Ų | 99.6 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -31.3 | 179.1 | -73 | 172.2 | 0 | 0 | 0 | 112.2 | Q422 I423 K430 | Q422-L426 HydrophobicContact CG-CD1 4.05Å; Q422-L426 HydrophobicContact CG-CG 4.48Å; Q422-L426 WeakPolarHBondContact O-CB 3.4Å; Q422-L426 VanDerWaalsContact O-CG 3.3Å; Q422-L426 WeakPolarHBondContact O-CG 3.31Å; Q422-L426 PolarHBondContact O-N 3.01Å; I423-L426 PolarHBondContact O-N 3.45Å; L426-K430 WeakPolarHBondContact O-CB 3.39Å; L426-K430 PolarHBondContact O-N 2.96Å |
| 427 | S | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 98.9 Ų | 98.9 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.5 | -34.7 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | I423 T424 R425 R431 | I423-S427 WeakPolarHBondContact O-CB 3.15Å; I423-S427 PolarHBondContact O-N 3.12Å; I423-S427 PolarHBondContact O-OG 3.2Å; T424-S427 WeakPolarHBondContact O-CB 3.46Å; T424-S427 PolarHBondContact O-N 3.41Å; R425-S427 PolarHBondContact O-N 2.97Å; S427-R431 PolarHBondContact O-N 3.4Å; S427-R431 VanDerWaalsContact O-N 3.14Å |
| 428 | Q | 98.8 | Very high | 98.5 | Very high | 130 Ų | 130 | 97.8 Ų | 97.8 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.3 | -47.4 | 173.2 | -175.8 | -180 | 4.9 | 0 | 0 | 111.8 | T424 R425 K430 R431 R432 | T424-Q428 PolarHBondContact O-N 2.95Å; R425-Q428 WeakPolarHBondContact O-CB 3.39Å; R425-Q428 PolarHBondContact O-N 3.03Å; Q428-K430 VanDerWaalsContact C-N 3.3Å; Q428-K430 PolarHBondContact O-N 3.35Å; Q428-R431 PolarHBondContact O-N 2.85Å; Q428-R431 VanDerWaalsContact O-N 3.1Å; Q428-R432 PolarHBondContact O-N 3.04Å |
| 429 | D | 98.3 | Very high | 98.5 | Very high | 41 Ų | 41 | 97.8 Ų | 97.8 | 22% | 0.219 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 175.2 | -83.8 | -49.9 | 0 | 0 | 0 | 110.7 | R425 R431 R432 L433 | R425-D429 WeakPolarHBondContact CG-OD2 3.42Å; R425-D429 IonicContact NE-OD2 3.26Å; R425-D429 PolarHBondContact NE-OD2 3.4Å; R425-D429 PolarHBondContact O-N 3.16Å; D429-R431 PolarHBondContact O-N 3.35Å; D429-R432 PolarHBondContact O-N 2.95Å; D429-R432 IonicContact OD1-CZ 3.71Å; D429-R432 IonicContact OD1-NH1 3.92Å; D429-R432 PolarHBondContact OD1-NH1 3.37Å; D429-L433 WeakPolarHBondContact O-CB 3.42Å; D429-L433 VanDerWaalsContact O-CG 3.26Å; D429-L433 WeakPolarHBondContact O-CG 3.31Å; D429-L433 PolarHBondContact O-N 3.5Å |
| 430 | K | 98.3 | Very high | 98.5 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.6 | -47.9 | 171.4 | 178.5 | -174.7 | 172 | -175.5 | 0 | 111.8 | L426 Q428 L433 Q434 | L426-K430 WeakPolarHBondContact O-CB 3.39Å; L426-K430 PolarHBondContact O-N 2.96Å; Q428-K430 VanDerWaalsContact C-N 3.3Å; Q428-K430 PolarHBondContact O-N 3.35Å; K430-L433 PolarHBondContact O-N 3.31Å; K430-Q434 WeakPolarHBondContact O-CG 3.45Å; K430-Q434 PolarHBondContact O-N 3.04Å |
| 431 | R | 98.7 | Very high | 98.5 | Very high | 147 Ų | 147 | 97.2 Ų | 97.2 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | -179.2 | -163.4 | -164.5 | -62.4 | 127.2 | 3 | 111.4 | S427 Q428 D429 L433 Q434 E435 | S427-R431 PolarHBondContact O-N 3.4Å; S427-R431 VanDerWaalsContact O-N 3.14Å; Q428-R431 PolarHBondContact O-N 2.85Å; Q428-R431 VanDerWaalsContact O-N 3.1Å; D429-R431 PolarHBondContact O-N 3.35Å; R431-L433 VanDerWaalsContact C-N 3.31Å; R431-L433 PolarHBondContact O-N 3.23Å; R431-Q434 WeakPolarHBondContact O-CA 3.29Å; R431-Q434 WeakPolarHBondContact O-CB 3.49Å; R431-Q434 PolarHBondContact O-N 3.34Å; R431-E435 WeakPolarHBondContact CD-OE1 3.47Å; R431-E435 VanDerWaalsContact CG-OE1 3.26Å; R431-E435 WeakPolarHBondContact CG-OE1 3.31Å; R431-E435 WeakPolarHBondContact O-CG 3.38Å; R431-E435 PolarHBondContact O-N 2.88Å |
| 432 | R | 98.7 | Very high | 98.5 | Very high | 112 Ų | 112 | 97.1 Ų | 97.1 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 177.2 | -158.5 | -168.6 | 73.1 | -109.9 | -14.8 | 111.5 | Q428 D429 Q434 E435 E436 | Q428-R432 PolarHBondContact O-N 3.04Å; D429-R432 PolarHBondContact O-N 2.95Å; D429-R432 IonicContact OD1-CZ 3.71Å; D429-R432 IonicContact OD1-NH1 3.92Å; D429-R432 PolarHBondContact OD1-NH1 3.37Å; R432-Q434 VanDerWaalsContact C-N 3.3Å; R432-Q434 PolarHBondContact O-N 2.96Å; R432-E435 PolarHBondContact O-N 3.22Å; R432-E436 IonicContact CZ-OE1 2.69Å; R432-E436 IonicContact NE-OE1 3.68Å; R432-E436 PolarHBondContact NE-OE1 3.07Å; R432-E436 IonicContact NH2-OE1 3.91Å; R432-E436 PolarHBondContact NH2-OE1 3.46Å; R432-E436 WeakPolarHBondContact O-CB 3.49Å; R432-E436 VanDerWaalsContact O-CG 3.27Å; R432-E436 WeakPolarHBondContact O-CG 3.4Å; R432-E436 PolarHBondContact O-N 2.84Å |
| 433 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 97.3 Ų | 97.3 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -27.7 | 174.5 | -70.6 | 168.2 | 0 | 0 | 0 | 113.5 | D429 K430 R431 M437 | D429-L433 WeakPolarHBondContact O-CB 3.42Å; D429-L433 VanDerWaalsContact O-CG 3.26Å; D429-L433 WeakPolarHBondContact O-CG 3.31Å; D429-L433 PolarHBondContact O-N 3.5Å; K430-L433 PolarHBondContact O-N 3.31Å; R431-L433 VanDerWaalsContact C-N 3.31Å; R431-L433 PolarHBondContact O-N 3.23Å; L433-M437 WeakPolarHBondContact O-CB 3.49Å; L433-M437 PolarHBondContact O-N 2.79Å; L433-M437 VanDerWaalsContact O-N 3.08Å |
| 434 | Q | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.2 | -39.1 | 172.2 | -70 | 176.4 | -84.7 | 0 | 0 | 111.6 | K430 R431 R432 M437 A438 | K430-Q434 WeakPolarHBondContact O-CG 3.45Å; K430-Q434 PolarHBondContact O-N 3.04Å; R431-Q434 WeakPolarHBondContact O-CA 3.29Å; R431-Q434 WeakPolarHBondContact O-CB 3.49Å; R431-Q434 PolarHBondContact O-N 3.34Å; R432-Q434 VanDerWaalsContact C-N 3.3Å; R432-Q434 PolarHBondContact O-N 2.96Å; Q434-M437 PolarHBondContact O-N 3.47Å; Q434-A438 WeakPolarHBondContact O-CB 3.41Å; Q434-A438 PolarHBondContact O-N 2.84Å |
| 435 | E | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 100.8 Ų | 100.8 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 174.2 | -67.6 | 157 | -172.4 | 0 | 0 | 111.1 | R431 R432 M437 A438 A439 | R431-E435 WeakPolarHBondContact CD-OE1 3.47Å; R431-E435 VanDerWaalsContact CG-OE1 3.26Å; R431-E435 WeakPolarHBondContact CG-OE1 3.31Å; R431-E435 WeakPolarHBondContact O-CG 3.38Å; R431-E435 PolarHBondContact O-N 2.88Å; R432-E435 PolarHBondContact O-N 3.22Å; E435-M437 VanDerWaalsContact C-N 3.33Å; E435-M437 PolarHBondContact O-N 2.73Å; E435-A438 PolarHBondContact O-N 3.48Å; E435-A439 PolarHBondContact O-N 3.12Å |
| 436 | E | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 95.8 Ų | 95.8 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56 | -44.9 | 172.4 | -72.8 | 169 | -144.1 | 0 | 0 | 111.6 | R432 A439 L440 | R432-E436 IonicContact CZ-OE1 2.69Å; R432-E436 IonicContact NE-OE1 3.68Å; R432-E436 PolarHBondContact NE-OE1 3.07Å; R432-E436 IonicContact NH2-OE1 3.91Å; R432-E436 PolarHBondContact NH2-OE1 3.46Å; R432-E436 WeakPolarHBondContact O-CB 3.49Å; R432-E436 VanDerWaalsContact O-CG 3.27Å; R432-E436 WeakPolarHBondContact O-CG 3.4Å; R432-E436 PolarHBondContact O-N 2.84Å; E436-A439 PolarHBondContact O-N 3.27Å; E436-L440 WeakPolarHBondContact O-CG 3.44Å; E436-L440 PolarHBondContact O-N 2.87Å |
| 437 | M | 98.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 95.3 Ų | 95.3 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 178.9 | -174.8 | 169.5 | 64.7 | 0 | 0 | 112.6 | L433 Q434 E435 L440 L441 | L433-M437 WeakPolarHBondContact O-CB 3.49Å; L433-M437 PolarHBondContact O-N 2.79Å; L433-M437 VanDerWaalsContact O-N 3.08Å; Q434-M437 PolarHBondContact O-N 3.47Å; E435-M437 VanDerWaalsContact C-N 3.33Å; E435-M437 PolarHBondContact O-N 2.73Å; M437-L440 PolarHBondContact O-N 3.36Å; M437-L441 WeakPolarHBondContact O-CG 3.07Å; M437-L441 PolarHBondContact O-N 3.43Å |
| 438 | A | 98.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 96.4 Ų | 96.4 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q434 E435 L441 A442 | Q434-A438 WeakPolarHBondContact O-CB 3.41Å; Q434-A438 PolarHBondContact O-N 2.84Å; E435-A438 PolarHBondContact O-N 3.48Å; A438-L441 PolarHBondContact O-N 2.75Å; A438-A442 PolarHBondContact O-N 3.36Å |
| 439 | A | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 95.7 Ų | 95.7 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E435 E436 L441 A442 Q443 | E435-A439 PolarHBondContact O-N 3.12Å; E436-A439 PolarHBondContact O-N 3.27Å; A439-L441 VanDerWaalsContact C-N 3.34Å; A439-L441 PolarHBondContact O-N 3.01Å; A439-A442 PolarHBondContact O-N 2.98Å; A439-Q443 WeakPolarHBondContact O-CB 3.49Å; A439-Q443 PolarHBondContact O-N 3.48Å |
| 440 | L | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.1 | -33.3 | 175.6 | -73 | 169.7 | 0 | 0 | 0 | 113 | E436 M437 R444 | E436-L440 WeakPolarHBondContact O-CG 3.44Å; E436-L440 PolarHBondContact O-N 2.87Å; M437-L440 PolarHBondContact O-N 3.36Å; L440-R444 WeakPolarHBondContact O-CB 3.36Å; L440-R444 PolarHBondContact O-N 3.12Å |
| 441 | L | 98.5 | Very high | 98.5 | Very high | 86 Ų | 86 | 95.1 Ų | 95.1 | 45% | 0.45 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 173.1 | -73.3 | 169 | 0 | 0 | 0 | 111.6 | M437 A438 A439 Q443 R444 E445 | M437-L441 WeakPolarHBondContact O-CG 3.07Å; M437-L441 PolarHBondContact O-N 3.43Å; A438-L441 PolarHBondContact O-N 2.75Å; A439-L441 VanDerWaalsContact C-N 3.34Å; A439-L441 PolarHBondContact O-N 3.01Å; L441-Q443 VanDerWaalsContact C-N 3.32Å; L441-Q443 PolarHBondContact O-N 3Å; L441-R444 WeakPolarHBondContact O-CB 3.48Å; L441-R444 PolarHBondContact O-N 3.39Å; L441-R444 VanDerWaalsContact O-N 3.1Å; L441-E445 WeakPolarHBondContact O-CG 3.36Å; L441-E445 PolarHBondContact O-N 3.41Å |
| 442 | A | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 92.3 Ų | 92.3 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A438 A439 R444 E445 E446 | A438-A442 PolarHBondContact O-N 3.36Å; A439-A442 PolarHBondContact O-N 2.98Å; A442-R444 VanDerWaalsContact C-N 3.35Å; A442-E445 PolarHBondContact O-N 2.88Å; A442-E446 VanDerWaalsContact O-CB 3.29Å; A442-E446 WeakPolarHBondContact O-CB 3.34Å; A442-E446 PolarHBondContact O-N 2.85Å |
| 443 | Q | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 89.8 Ų | 89.8 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 173.7 | -173.4 | -178.1 | 1.6 | 0 | 0 | 112.3 | A439 L441 L447 | A439-Q443 WeakPolarHBondContact O-CB 3.49Å; A439-Q443 PolarHBondContact O-N 3.48Å; L441-Q443 VanDerWaalsContact C-N 3.32Å; L441-Q443 PolarHBondContact O-N 3Å; Q443-L447 HydrophobicContact CG-CD1 4.28Å; Q443-L447 VanDerWaalsContact O-CG 3.31Å; Q443-L447 WeakPolarHBondContact O-CG 3.4Å; Q443-L447 PolarHBondContact O-N 2.86Å |
| 444 | R | 98.1 | Very high | 98.4 | Very high | 128 Ų | 128 | 92.6 Ų | 92.6 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 175.3 | -179.8 | -167.9 | 170 | -65.6 | -18.2 | 111.1 | L440 L441 A442 L447 E448 | L440-R444 WeakPolarHBondContact O-CB 3.36Å; L440-R444 PolarHBondContact O-N 3.12Å; L441-R444 WeakPolarHBondContact O-CB 3.48Å; L441-R444 PolarHBondContact O-N 3.39Å; L441-R444 VanDerWaalsContact O-N 3.1Å; A442-R444 VanDerWaalsContact C-N 3.35Å; R444-L447 PolarHBondContact O-N 3.42Å; R444-E448 IonicContact CZ-OE1 3.35Å; R444-E448 IonicContact CZ-OE2 2.62Å; R444-E448 VanDerWaalsContact NH1-CD 3.26Å; R444-E448 IonicContact NH1-OE1 3.92Å; R444-E448 PolarHBondContact NH1-OE1 3.08Å; R444-E448 IonicContact NH1-OE2 3.06Å; R444-E448 PolarHBondContact NH1-OE2 2.86Å; R444-E448 VanDerWaalsContact NH2-CD 3.32Å; R444-E448 IonicContact NH2-OE1 2.9Å; R444-E448 PolarHBondContact NH2-OE1 3.46Å; R444-E448 IonicContact NH2-OE2 3.59Å; R444-E448 PolarHBondContact NH2-OE2 2.9Å; R444-E448 WeakPolarHBondContact O-CG 3.26Å; R444-E448 PolarHBondContact O-N 2.91Å |
| 445 | E | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 94.8 Ų | 94.8 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.3 | -70 | 167.1 | -164.6 | 0 | 0 | 112.1 | L441 A442 E448 R449 | L441-E445 WeakPolarHBondContact O-CG 3.36Å; L441-E445 PolarHBondContact O-N 3.41Å; A442-E445 PolarHBondContact O-N 2.88Å; E445-E448 PolarHBondContact O-N 2.92Å; E445-R449 PolarHBondContact O-N 2.89Å |
| 446 | E | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 95 Ų | 95 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.2 | 177.8 | 59.1 | -143.1 | 0 | 0 | 112.5 | A442 R449 K450 | A442-E446 VanDerWaalsContact O-CB 3.29Å; A442-E446 WeakPolarHBondContact O-CB 3.34Å; A442-E446 PolarHBondContact O-N 2.85Å; E446-R449 IonicContact OE1-NH1 2.74Å; E446-R449 PolarHBondContact OE1-NH1 3.34Å; E446-R449 IonicContact OE2-CZ 2.71Å; E446-R449 IonicContact OE2-NH1 3.84Å; E446-R449 PolarHBondContact OE2-NH1 2.88Å; E446-R449 IonicContact OE2-NH2 2.62Å; E446-R449 PolarHBondContact OE2-NH2 2.92Å; E446-K450 PolarHBondContact O-N 3.49Å; E446-K450 VanDerWaalsContact OE1-CE 3.31Å; E446-K450 WeakPolarHBondContact OE1-CE 3.43Å; E446-K450 IonicContact OE1-NZ 2.68Å; E446-K450 PolarHBondContact OE1-NZ 3.5Å |
| 447 | L | 98.2 | Very high | 98.4 | Very high | 93 Ų | 93 | 96 Ų | 96 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.7 | -39.1 | 176.4 | -70.9 | 170.4 | 0 | 0 | 0 | 112.1 | Q443 R444 R449 K450 C451 | Q443-L447 HydrophobicContact CG-CD1 4.28Å; Q443-L447 VanDerWaalsContact O-CG 3.31Å; Q443-L447 WeakPolarHBondContact O-CG 3.4Å; Q443-L447 PolarHBondContact O-N 2.86Å; R444-L447 PolarHBondContact O-N 3.42Å; L447-R449 VanDerWaalsContact C-N 3.33Å; L447-R449 PolarHBondContact O-N 2.78Å; L447-K450 PolarHBondContact O-N 2.97Å; L447-C451 WeakPolarHBondContact O-CB 3.25Å; L447-C451 PolarHBondContact O-N 2.67Å; L447-C451 PolarHBondContact O-SG 3.02Å |
| 448 | E | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 97.1 Ų | 97.1 | 41% | 0.407 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 174.3 | -78.6 | -173.7 | 140.9 | 0 | 0 | 112.2 | R444 E445 C451 L452 | R444-E448 IonicContact CZ-OE1 3.35Å; R444-E448 IonicContact CZ-OE2 2.62Å; R444-E448 VanDerWaalsContact NH1-CD 3.26Å; R444-E448 IonicContact NH1-OE1 3.92Å; R444-E448 PolarHBondContact NH1-OE1 3.08Å; R444-E448 IonicContact NH1-OE2 3.06Å; R444-E448 PolarHBondContact NH1-OE2 2.86Å; R444-E448 VanDerWaalsContact NH2-CD 3.32Å; R444-E448 IonicContact NH2-OE1 2.9Å; R444-E448 PolarHBondContact NH2-OE1 3.46Å; R444-E448 IonicContact NH2-OE2 3.59Å; R444-E448 PolarHBondContact NH2-OE2 2.9Å; R444-E448 WeakPolarHBondContact O-CG 3.26Å; R444-E448 PolarHBondContact O-N 2.91Å; E445-E448 PolarHBondContact O-N 2.92Å; E448-C451 PolarHBondContact O-N 2.92Å; E448-L452 WeakPolarHBondContact O-CG 3.47Å; E448-L452 PolarHBondContact O-N 3.28Å |
| 449 | R | 98.8 | Very high | 98.3 | Very high | 116 Ų | 116 | 97 Ų | 97 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 174.8 | -155.8 | -166 | -39 | 101.5 | 4.9 | 111.2 | E445 E446 L447 C451 L452 D453 | E445-R449 PolarHBondContact O-N 2.89Å; E446-R449 IonicContact OE1-NH1 2.74Å; E446-R449 PolarHBondContact OE1-NH1 3.34Å; E446-R449 IonicContact OE2-CZ 2.71Å; E446-R449 IonicContact OE2-NH1 3.84Å; E446-R449 PolarHBondContact OE2-NH1 2.88Å; E446-R449 IonicContact OE2-NH2 2.62Å; E446-R449 PolarHBondContact OE2-NH2 2.92Å; L447-R449 VanDerWaalsContact C-N 3.33Å; L447-R449 PolarHBondContact O-N 2.78Å; R449-C451 VanDerWaalsContact C-N 3.31Å; R449-C451 PolarHBondContact O-N 3.5Å; R449-L452 CarbonylContact O-C 3.57Å; R449-L452 WeakPolarHBondContact O-CA 3.46Å; R449-L452 WeakPolarHBondContact O-CB 3.35Å; R449-L452 PolarHBondContact O-N 3.27Å; R449-D453 VanDerWaalsContact O-CG 3.28Å; R449-D453 PolarHBondContact O-N 3.01Å |
| 450 | K | 98.7 | Very high | 98.3 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 38% | 0.383 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 174.4 | -78.5 | 164.8 | 165.3 | 139.2 | 0 | 112.4 | E446 L447 L452 D453 Y454 | E446-K450 PolarHBondContact O-N 3.49Å; E446-K450 VanDerWaalsContact OE1-CE 3.31Å; E446-K450 WeakPolarHBondContact OE1-CE 3.43Å; E446-K450 IonicContact OE1-NZ 2.68Å; E446-K450 PolarHBondContact OE1-NZ 3.5Å; L447-K450 PolarHBondContact O-N 2.97Å; K450-L452 VanDerWaalsContact C-N 3.3Å; K450-L452 PolarHBondContact O-N 2.94Å; K450-D453 PolarHBondContact O-N 3.37Å; K450-Y454 HydrophobicContact CB-CE2 4.26Å; K450-Y454 WeakPolarHBondContact O-CD2 3.41Å; K450-Y454 PolarHBondContact O-N 2.88Å |
| 451 | C | 97.9 | Very high | 98.3 | Very high | 71 Ų | 71 | 98.7 Ų | 98.7 | 48% | 0.48 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -25.4 | 175.3 | -69.3 | 0 | 0 | 0 | 0 | 114.1 | L447 E448 R449 R455 | L447-C451 WeakPolarHBondContact O-CB 3.25Å; L447-C451 PolarHBondContact O-N 2.67Å; L447-C451 PolarHBondContact O-SG 3.02Å; E448-C451 PolarHBondContact O-N 2.92Å; R449-C451 VanDerWaalsContact C-N 3.31Å; R449-C451 PolarHBondContact O-N 3.5Å; C451-R455 WeakPolarHBondContact O-CB 3.35Å |
| 452 | L | 98.5 | Very high | 98.2 | Very high | 89 Ų | 89 | 98.7 Ų | 98.7 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.9 | -40.4 | 170.1 | -72.8 | 164.3 | 0 | 0 | 0 | 111.2 | E448 R449 K450 R455 K456 | E448-L452 WeakPolarHBondContact O-CG 3.47Å; E448-L452 PolarHBondContact O-N 3.28Å; R449-L452 CarbonylContact O-C 3.57Å; R449-L452 WeakPolarHBondContact O-CA 3.46Å; R449-L452 WeakPolarHBondContact O-CB 3.35Å; R449-L452 PolarHBondContact O-N 3.27Å; K450-L452 VanDerWaalsContact C-N 3.3Å; K450-L452 PolarHBondContact O-N 2.94Å; L452-R455 WeakPolarHBondContact O-CB 3.17Å; L452-R455 PolarHBondContact O-N 3.06Å; L452-K456 WeakPolarHBondContact O-CG 3.34Å; L452-K456 PolarHBondContact O-N 3.38Å |
| 453 | D | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 31% | 0.31 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.8 | -46.2 | -178.4 | -63.4 | -34.1 | 0 | 0 | 0 | 111.5 | R449 K450 R455 K456 E457 | R449-D453 VanDerWaalsContact O-CG 3.28Å; R449-D453 PolarHBondContact O-N 3.01Å; K450-D453 PolarHBondContact O-N 3.37Å; D453-R455 PolarHBondContact O-N 3.14Å; D453-K456 WeakPolarHBondContact O-CB 3.48Å; D453-K456 PolarHBondContact O-N 3.06Å; D453-K456 IonicContact OD1-NZ 3.2Å; D453-K456 PolarHBondContact OD1-NZ 3.15Å; D453-E457 PolarHBondContact O-N 3.47Å |
| 454 | Y | 98.1 | Very high | 98.2 | Very high | 152 Ų | 152 | 102.1 Ų | 102.1 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.7 | -29 | 170.6 | -66.9 | -47.8 | 0 | 0 | 0 | 113.3 | K450 E457 Q458 | K450-Y454 HydrophobicContact CB-CE2 4.26Å; K450-Y454 WeakPolarHBondContact O-CD2 3.41Å; K450-Y454 PolarHBondContact O-N 2.88Å; Y454-E457 WeakPolarHBondContact CD1-OE2 3.42Å; Y454-Q458 WeakPolarHBondContact O-CB 3.36Å; Y454-Q458 PolarHBondContact O-N 2.88Å |
| 455 | R | 98.2 | Very high | 98.2 | Very high | 147 Ų | 147 | 101.1 Ų | 101.1 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -75.2 | -31.2 | 175.9 | -167 | -175.8 | -56.6 | 141.1 | 9.7 | 112.3 | C451 L452 D453 A459 | C451-R455 WeakPolarHBondContact O-CB 3.35Å; L452-R455 WeakPolarHBondContact O-CB 3.17Å; L452-R455 PolarHBondContact O-N 3.06Å; D453-R455 PolarHBondContact O-N 3.14Å; R455-A459 WeakPolarHBondContact O-CB 3.39Å; R455-A459 PolarHBondContact O-N 3.27Å; R455-A459 VanDerWaalsContact O-N 3.08Å |
| 456 | K | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 102.1 Ų | 102.1 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -51.6 | 170 | -62.3 | 164.9 | -164.2 | 164 | 0 | 109.6 | L452 D453 Q458 A459 D460 | L452-K456 WeakPolarHBondContact O-CG 3.34Å; L452-K456 PolarHBondContact O-N 3.38Å; D453-K456 WeakPolarHBondContact O-CB 3.48Å; D453-K456 PolarHBondContact O-N 3.06Å; D453-K456 IonicContact OD1-NZ 3.2Å; D453-K456 PolarHBondContact OD1-NZ 3.15Å; K456-Q458 VanDerWaalsContact C-N 3.26Å; K456-Q458 PolarHBondContact O-N 3.35Å; K456-A459 CarbonylContact O-C 3.59Å; K456-A459 WeakPolarHBondContact O-CA 3.27Å; K456-A459 WeakPolarHBondContact O-CB 3.46Å; K456-A459 PolarHBondContact O-N 2.87Å; K456-D460 VanDerWaalsContact O-CG 3.24Å; K456-D460 PolarHBondContact O-N 2.94Å |
| 457 | E | 98.2 | Very high | 98.1 | Very high | 105 Ų | 105 | 104.9 Ų | 104.9 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.9 | -43.5 | 176.6 | -68.1 | 177.8 | 171 | 0 | 0 | 111.7 | D453 Y454 A459 D460 I461 | D453-E457 PolarHBondContact O-N 3.47Å; Y454-E457 WeakPolarHBondContact CD1-OE2 3.42Å; E457-A459 PolarHBondContact O-N 2.76Å; E457-D460 PolarHBondContact O-N 3.44Å; E457-I461 VanDerWaalsContact O-CB 3.32Å; E457-I461 WeakPolarHBondContact O-CB 3.37Å; E457-I461 WeakPolarHBondContact O-CD1 3.29Å; E457-I461 WeakPolarHBondContact O-CG1 3.49Å; E457-I461 PolarHBondContact O-N 3.49Å |
| 458 | Q | 97.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 103.4 Ų | 103.4 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 173.4 | -174.1 | 178.5 | 32.7 | 0 | 0 | 112.8 | Y454 K456 L462 | Y454-Q458 WeakPolarHBondContact O-CB 3.36Å; Y454-Q458 PolarHBondContact O-N 2.88Å; K456-Q458 VanDerWaalsContact C-N 3.26Å; K456-Q458 PolarHBondContact O-N 3.35Å; Q458-L462 HydrophobicContact CG-CD1 4.33Å; Q458-L462 VanDerWaalsContact O-CG 3.3Å; Q458-L462 WeakPolarHBondContact O-CG 3.12Å; Q458-L462 PolarHBondContact O-N 3.21Å |
| 459 | A | 97.7 | Very high | 98.1 | Very high | 55 Ų | 55 | 106.3 Ų | 106.3 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -30.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R455 K456 E457 P463 | R455-A459 WeakPolarHBondContact O-CB 3.39Å; R455-A459 PolarHBondContact O-N 3.27Å; R455-A459 VanDerWaalsContact O-N 3.08Å; K456-A459 CarbonylContact O-C 3.59Å; K456-A459 WeakPolarHBondContact O-CA 3.27Å; K456-A459 WeakPolarHBondContact O-CB 3.46Å; K456-A459 PolarHBondContact O-N 2.87Å; E457-A459 PolarHBondContact O-N 2.76Å; A459-P463 WeakPolarHBondContact O-CD 3.48Å |
| 460 | D | 97.6 | Very high | 98.1 | Very high | 107 Ų | 107 | 109.2 Ų | 109.2 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -81.1 | -30.5 | 178.2 | -62.3 | -31.1 | 0 | 0 | 0 | 112.1 | K456 E457 R464 | K456-D460 VanDerWaalsContact O-CG 3.24Å; K456-D460 PolarHBondContact O-N 2.94Å; E457-D460 PolarHBondContact O-N 3.44Å; D460-R464 WeakPolarHBondContact O-CD 3.47Å; D460-R464 WeakPolarHBondContact O-CG 3.43Å |
| 461 | I | 98.2 | Very high | 98.1 | Very high | 99 Ų | 99 | 109.8 Ų | 109.8 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.1 | -35.4 | 176.5 | -71.9 | 165.6 | 0 | 0 | 0 | 111.6 | E457 R464 L465 | E457-I461 VanDerWaalsContact O-CB 3.32Å; E457-I461 WeakPolarHBondContact O-CB 3.37Å; E457-I461 WeakPolarHBondContact O-CD1 3.29Å; E457-I461 WeakPolarHBondContact O-CG1 3.49Å; E457-I461 PolarHBondContact O-N 3.49Å; I461-R464 PolarHBondContact O-N 2.96Å; I461-L465 PolarHBondContact O-N 2.95Å |
| 462 | L | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 111.3 Ų | 111.3 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59 | -51.2 | -175.2 | -83.1 | 167 | 0 | 0 | 0 | 113.9 | Q458 R464 L465 E466 | Q458-L462 HydrophobicContact CG-CD1 4.33Å; Q458-L462 VanDerWaalsContact O-CG 3.3Å; Q458-L462 WeakPolarHBondContact O-CG 3.12Å; Q458-L462 PolarHBondContact O-N 3.21Å; L462-R464 VanDerWaalsContact C-N 3.27Å; L462-R464 PolarHBondContact O-N 3.38Å; L462-L465 WeakPolarHBondContact O-CB 3.19Å; L462-L465 PolarHBondContact O-N 2.99Å; L462-L465 VanDerWaalsContact O-N 3.14Å; L462-E466 PolarHBondContact O-N 3.3Å |
| 463 | P | 97.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 110.9 Ų | 110.9 | 47% | 0.468 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -35.6 | 176 | -25.7 | 34.9 | 0 | 0 | 0 | 113.2 | A459 L465 E466 E467 | A459-P463 WeakPolarHBondContact O-CD 3.48Å; P463-L465 VanDerWaalsContact C-N 3.33Å; P463-E466 PolarHBondContact O-N 3.05Å; P463-E467 WeakPolarHBondContact O-CB 3.32Å; P463-E467 PolarHBondContact O-N 3.39Å |
| 464 | R | 97.9 | Very high | 98.1 | Very high | 171 Ų | 171 | 112.1 Ų | 112.1 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71 | -30.5 | 178.6 | -59.3 | 177.9 | 69.5 | -161.4 | 0.2 | 112 | D460 I461 L462 T468 | D460-R464 WeakPolarHBondContact O-CD 3.47Å; D460-R464 WeakPolarHBondContact O-CG 3.43Å; I461-R464 PolarHBondContact O-N 2.96Å; L462-R464 VanDerWaalsContact C-N 3.27Å; L462-R464 PolarHBondContact O-N 3.38Å; R464-T468 WeakPolarHBondContact O-CB 3.35Å; R464-T468 WeakPolarHBondContact O-CG2 3.43Å; R464-T468 PolarHBondContact O-N 3.01Å; R464-T468 PolarHBondContact O-OG1 3.04Å |
| 465 | L | 98.2 | Very high | 98.2 | Very high | 107 Ų | 107 | 109.6 Ų | 109.6 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.3 | -33.9 | 170.4 | -177.1 | 62.4 | 0 | 0 | 0 | 111.8 | I461 L462 P463 T468 K469 | I461-L465 PolarHBondContact O-N 2.95Å; L462-L465 WeakPolarHBondContact O-CB 3.19Å; L462-L465 PolarHBondContact O-N 2.99Å; L462-L465 VanDerWaalsContact O-N 3.14Å; P463-L465 VanDerWaalsContact C-N 3.33Å; L465-T468 PolarHBondContact O-OG1 2.72Å; L465-K469 WeakPolarHBondContact O-CB 3.31Å; L465-K469 PolarHBondContact O-N 2.86Å |
| 466 | E | 98.1 | Very high | 98.2 | Very high | 137 Ų | 137 | 105 Ų | 105 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.1 | -41.8 | 174.3 | -69.5 | 179.4 | 164.5 | 0 | 0 | 112 | L462 P463 K469 W470 | L462-E466 PolarHBondContact O-N 3.3Å; P463-E466 PolarHBondContact O-N 3.05Å; E466-K469 PolarHBondContact O-N 2.84Å; E466-W470 PolarHBondContact O-N 2.71Å |
| 467 | E | 98 | Very high | 98.2 | Very high | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.7 | -58.1 | 172.9 | -179.7 | 174.7 | -132.2 | 0 | 0 | 111.4 | P463 K469 W470 E471 | P463-E467 WeakPolarHBondContact O-CB 3.32Å; P463-E467 PolarHBondContact O-N 3.39Å; E467-K469 VanDerWaalsContact C-N 3.28Å; E467-K469 PolarHBondContact O-N 3.29Å; E467-W470 WeakPolarHBondContact O-CA 3.5Å; E467-W470 WeakPolarHBondContact O-CB 3.37Å; E467-W470 PolarHBondContact O-N 3.4Å; E467-E471 PolarHBondContact O-N 2.84Å |
| 468 | T | 98.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 100 Ų | 100 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 179.2 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | R464 L465 V472 | R464-T468 WeakPolarHBondContact O-CB 3.35Å; R464-T468 WeakPolarHBondContact O-CG2 3.43Å; R464-T468 PolarHBondContact O-N 3.01Å; R464-T468 PolarHBondContact O-OG1 3.04Å; L465-T468 PolarHBondContact O-OG1 2.72Å; T468-V472 WeakPolarHBondContact O-CB 3.33Å; T468-V472 VanDerWaalsContact O-CG2 3.28Å; T468-V472 WeakPolarHBondContact O-CG2 3.43Å; T468-V472 PolarHBondContact O-N 3.5Å |
| 469 | K | 98.6 | Very high | 98.2 | Very high | 147 Ų | 147 | 98.2 Ų | 98.2 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 170 | 176.8 | -174.9 | 173.2 | -170.8 | 0 | 111.6 | L465 E466 E467 V472 C473 | L465-K469 WeakPolarHBondContact O-CB 3.31Å; L465-K469 PolarHBondContact O-N 2.86Å; E466-K469 PolarHBondContact O-N 2.84Å; E467-K469 VanDerWaalsContact C-N 3.28Å; E467-K469 PolarHBondContact O-N 3.29Å; K469-V472 PolarHBondContact O-N 3.46Å; K469-C473 PolarHBondContact O-N 2.7Å; K469-C473 VanDerWaalsContact O-N 3.08Å; K469-C473 PolarHBondContact O-SG 2.84Å; K469-C473 VanDerWaalsContact O-SG 3.33Å |
| 470 | W | 98.5 | Very high | 98.3 | Very high | 177 Ų | 177 | 99 Ų | 99 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.1 | -42.9 | 178.1 | -160.6 | 91.1 | 0 | 0 | 0 | 111.6 | E466 E467 V472 C473 Q474 | E466-W470 PolarHBondContact O-N 2.71Å; E467-W470 WeakPolarHBondContact O-CA 3.5Å; E467-W470 WeakPolarHBondContact O-CB 3.37Å; E467-W470 PolarHBondContact O-N 3.4Å; W470-V472 PolarHBondContact O-N 3.27Å; W470-C473 WeakPolarHBondContact O-CB 3.32Å; W470-C473 PolarHBondContact O-N 3.42Å; W470-Q474 HydrophobicContact CE3-CB 4.48Å; W470-Q474 HydrophobicContact CZ3-CB 4.37Å; W470-Q474 VanDerWaalsContact CZ3-OE1 3.27Å; W470-Q474 PolarHBondContact O-N 2.76Å |
| 471 | E | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 171.7 | -67.4 | -175.2 | 130.7 | 0 | 0 | 111.9 | E467 C473 Q474 K475 | E467-E471 PolarHBondContact O-N 2.84Å; E471-C473 VanDerWaalsContact C-N 3.32Å; E471-C473 PolarHBondContact O-N 3.09Å; E471-Q474 WeakPolarHBondContact O-CB 3.47Å; E471-Q474 PolarHBondContact O-N 2.68Å; E471-K475 WeakPolarHBondContact O-CB 3.39Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-N 2.9Å |
| 472 | V | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -40.2 | 177.5 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | T468 K469 W470 A476 | T468-V472 WeakPolarHBondContact O-CB 3.33Å; T468-V472 VanDerWaalsContact O-CG2 3.28Å; T468-V472 WeakPolarHBondContact O-CG2 3.43Å; T468-V472 PolarHBondContact O-N 3.5Å; K469-V472 PolarHBondContact O-N 3.46Å; W470-V472 PolarHBondContact O-N 3.27Å; V472-A476 WeakPolarHBondContact O-CB 3.5Å; V472-A476 PolarHBondContact O-N 2.71Å |
| 473 | C | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 173.8 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | K469 W470 E471 A476 G477 | K469-C473 PolarHBondContact O-N 2.7Å; K469-C473 VanDerWaalsContact O-N 3.08Å; K469-C473 PolarHBondContact O-SG 2.84Å; K469-C473 VanDerWaalsContact O-SG 3.33Å; W470-C473 WeakPolarHBondContact O-CB 3.32Å; W470-C473 PolarHBondContact O-N 3.42Å; E471-C473 VanDerWaalsContact C-N 3.32Å; E471-C473 PolarHBondContact O-N 3.09Å; C473-A476 PolarHBondContact O-N 3.01Å; C473-G477 PolarHBondContact O-N 3.42Å; C473-G477 VanDerWaalsContact O-N 3.08Å |
| 474 | Q | 98.6 | Very high | 98.4 | Very high | 83 Ų | 83 | 101.1 Ų | 101.1 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 175.2 | -179.3 | -169.6 | -24 | 0 | 0 | 111 | W470 E471 A476 G477 E478 | W470-Q474 HydrophobicContact CE3-CB 4.48Å; W470-Q474 HydrophobicContact CZ3-CB 4.37Å; W470-Q474 VanDerWaalsContact CZ3-OE1 3.27Å; W470-Q474 PolarHBondContact O-N 2.76Å; E471-Q474 WeakPolarHBondContact O-CB 3.47Å; E471-Q474 PolarHBondContact O-N 2.68Å; Q474-A476 VanDerWaalsContact C-N 3.35Å; Q474-A476 PolarHBondContact O-N 3.08Å; Q474-G477 CarbonylContact O-C 3.56Å; Q474-G477 WeakPolarHBondContact O-CA 3.39Å; Q474-G477 PolarHBondContact O-N 3.03Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.32Å; Q474-E478 PolarHBondContact NE2-OE1 2.88Å; Q474-E478 PolarHBondContact O-N 3.07Å |
| 475 | K | 98.4 | Very high | 98.5 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -33.2 | -179.2 | -63.8 | -54.8 | 173.5 | -158.6 | 0 | 112.8 | E471 G477 E478 I479 | E471-K475 WeakPolarHBondContact O-CB 3.39Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-N 2.9Å; K475-G477 VanDerWaalsContact C-N 3.3Å; K475-G477 PolarHBondContact O-N 3.32Å; K475-E478 WeakPolarHBondContact CD-OE2 3.33Å; K475-E478 IonicContact NZ-OE1 3.78Å; K475-E478 PolarHBondContact NZ-OE1 3.28Å; K475-E478 IonicContact NZ-OE2 2.71Å; K475-E478 PolarHBondContact NZ-OE2 3.18Å; K475-E478 PolarHBondContact O-N 3.11Å; K475-I479 WeakPolarHBondContact O-CB 3.35Å; K475-I479 WeakPolarHBondContact O-CD1 3.37Å; K475-I479 WeakPolarHBondContact O-CG1 3.37Å; K475-I479 PolarHBondContact O-N 2.94Å |
| 476 | A | 98.3 | Very high | 98.5 | Very high | 51 Ų | 51 | 97.9 Ų | 97.9 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V472 C473 Q474 S480 | V472-A476 WeakPolarHBondContact O-CB 3.5Å; V472-A476 PolarHBondContact O-N 2.71Å; C473-A476 PolarHBondContact O-N 3.01Å; Q474-A476 VanDerWaalsContact C-N 3.35Å; Q474-A476 PolarHBondContact O-N 3.08Å; A476-S480 WeakPolarHBondContact O-CB 3.09Å; A476-S480 PolarHBondContact O-N 2.96Å; A476-S480 VanDerWaalsContact O-N 3.08Å; A476-S480 PolarHBondContact O-OG 3.27Å |
| 477 | G | 98.5 | Very high | 98.5 | Very high | 40 Ų | 40 | 98.4 Ų | 98.4 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -52 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | C473 Q474 K475 I479 S480 L481 | C473-G477 PolarHBondContact O-N 3.42Å; C473-G477 VanDerWaalsContact O-N 3.08Å; Q474-G477 CarbonylContact O-C 3.56Å; Q474-G477 WeakPolarHBondContact O-CA 3.39Å; Q474-G477 PolarHBondContact O-N 3.03Å; K475-G477 VanDerWaalsContact C-N 3.3Å; K475-G477 PolarHBondContact O-N 3.32Å; G477-I479 PolarHBondContact O-N 3.4Å; G477-S480 WeakPolarHBondContact O-CA 3.48Å; G477-S480 WeakPolarHBondContact O-CB 3.47Å; G477-S480 PolarHBondContact O-N 3.33Å; G477-L481 PolarHBondContact O-N 3.43Å |
| 478 | E | 98.5 | Very high | 98.5 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 34% | 0.341 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.8 | -47.3 | 176.3 | -71.3 | 174 | -153.7 | 0 | 0 | 111.7 | Q474 K475 S480 L481 L482 | Q474-E478 WeakPolarHBondContact CG-OE1 3.32Å; Q474-E478 PolarHBondContact NE2-OE1 2.88Å; Q474-E478 PolarHBondContact O-N 3.07Å; K475-E478 WeakPolarHBondContact CD-OE2 3.33Å; K475-E478 IonicContact NZ-OE1 3.78Å; K475-E478 PolarHBondContact NZ-OE1 3.28Å; K475-E478 IonicContact NZ-OE2 2.71Å; K475-E478 PolarHBondContact NZ-OE2 3.18Å; K475-E478 PolarHBondContact O-N 3.11Å; E478-S480 VanDerWaalsContact C-N 3.25Å; E478-S480 PolarHBondContact O-N 2.92Å; E478-L481 PolarHBondContact O-N 3.02Å; E478-L482 WeakPolarHBondContact O-CG 3.18Å; E478-L482 PolarHBondContact O-N 3.35Å |
| 479 | I | 98.4 | Very high | 98.5 | Very high | 87 Ų | 87 | 96.4 Ų | 96.4 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 176.4 | -71.1 | 165.8 | 0 | 0 | 0 | 111.4 | K475 G477 K483 | K475-I479 WeakPolarHBondContact O-CB 3.35Å; K475-I479 WeakPolarHBondContact O-CD1 3.37Å; K475-I479 WeakPolarHBondContact O-CG1 3.37Å; K475-I479 PolarHBondContact O-N 2.94Å; G477-I479 PolarHBondContact O-N 3.4Å; I479-K483 HydrophobicContact CG2-CD 3.99Å; I479-K483 VanDerWaalsContact O-CB 3.32Å; I479-K483 WeakPolarHBondContact O-CB 3.31Å; I479-K483 WeakPolarHBondContact O-CD 3.5Å; I479-K483 WeakPolarHBondContact O-CG 3.37Å; I479-K483 PolarHBondContact O-N 2.93Å |
| 480 | S | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 95.4 Ų | 95.4 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.4 | -38.9 | 178.8 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | A476 G477 E478 K483 Q484 | A476-S480 WeakPolarHBondContact O-CB 3.09Å; A476-S480 PolarHBondContact O-N 2.96Å; A476-S480 VanDerWaalsContact O-N 3.08Å; A476-S480 PolarHBondContact O-OG 3.27Å; G477-S480 WeakPolarHBondContact O-CA 3.48Å; G477-S480 WeakPolarHBondContact O-CB 3.47Å; G477-S480 PolarHBondContact O-N 3.33Å; E478-S480 VanDerWaalsContact C-N 3.25Å; E478-S480 PolarHBondContact O-N 2.92Å; S480-K483 PolarHBondContact O-N 2.92Å; S480-Q484 PolarHBondContact O-N 2.62Å |
| 481 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 89.5 Ų | 89.5 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 173 | -180 | 61.6 | 0 | 0 | 0 | 111.7 | G477 E478 K483 Q484 Q485 | G477-L481 PolarHBondContact O-N 3.43Å; E478-L481 PolarHBondContact O-N 3.02Å; L481-K483 VanDerWaalsContact C-N 3.31Å; L481-K483 PolarHBondContact O-N 3.23Å; L481-Q484 WeakPolarHBondContact O-CA 3.34Å; L481-Q484 WeakPolarHBondContact O-CB 3.38Å; L481-Q484 PolarHBondContact O-N 3.06Å; L481-Q485 PolarHBondContact O-N 3.41Å |
| 482 | L | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 90.5 Ų | 90.5 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -38.7 | 175.7 | -69.2 | 169.1 | 0 | 0 | 0 | 111.7 | E478 Q484 Q485 L486 | E478-L482 WeakPolarHBondContact O-CG 3.18Å; E478-L482 PolarHBondContact O-N 3.35Å; L482-Q484 PolarHBondContact O-N 3.13Å; L482-Q485 PolarHBondContact O-N 3.41Å; L482-L486 VanDerWaalsContact O-CB 3.31Å; L482-L486 WeakPolarHBondContact O-CB 3.47Å; L482-L486 PolarHBondContact O-N 3.05Å |
| 483 | K | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 90.5 Ų | 90.5 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.1 | -18.9 | 171.7 | -77.1 | 170.7 | -179.1 | 173.4 | 0 | 113.8 | I479 S480 L481 R487 | I479-K483 HydrophobicContact CG2-CD 3.99Å; I479-K483 VanDerWaalsContact O-CB 3.32Å; I479-K483 WeakPolarHBondContact O-CB 3.31Å; I479-K483 WeakPolarHBondContact O-CD 3.5Å; I479-K483 WeakPolarHBondContact O-CG 3.37Å; I479-K483 PolarHBondContact O-N 2.93Å; S480-K483 PolarHBondContact O-N 2.92Å; L481-K483 VanDerWaalsContact C-N 3.31Å; L481-K483 PolarHBondContact O-N 3.23Å; K483-R487 WeakPolarHBondContact O-CG 3.31Å; K483-R487 PolarHBondContact O-NE 3.08Å |
| 484 | Q | 98.4 | Very high | 98.5 | Very high | 84 Ų | 84 | 91 Ų | 91 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -80.8 | -52.9 | 171.3 | 174.5 | 167 | -12.3 | 0 | 0 | 110.5 | S480 L481 L482 L486 R487 E488 | S480-Q484 PolarHBondContact O-N 2.62Å; L481-Q484 WeakPolarHBondContact O-CA 3.34Å; L481-Q484 WeakPolarHBondContact O-CB 3.38Å; L481-Q484 PolarHBondContact O-N 3.06Å; L482-Q484 PolarHBondContact O-N 3.13Å; Q484-L486 PolarHBondContact O-N 3.4Å; Q484-R487 WeakPolarHBondContact O-CA 3.49Å; Q484-R487 WeakPolarHBondContact O-CB 3.2Å; Q484-R487 PolarHBondContact O-N 3.47Å; Q484-E488 VanDerWaalsContact CG-CD 3.45Å; Q484-E488 HydrophobicContact CG-CG 4.36Å; Q484-E488 WeakPolarHBondContact CG-OE1 3.17Å; Q484-E488 PolarHBondContact NE2-OE1 2.91Å; Q484-E488 WeakPolarHBondContact O-CG 3.47Å; Q484-E488 PolarHBondContact O-N 3.48Å |
| 485 | Q | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 92.7 Ų | 92.7 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.8 | -36.3 | 177.4 | -68.1 | 172.5 | -22.8 | 0 | 0 | 112.5 | L481 L482 E488 S489 | L481-Q485 PolarHBondContact O-N 3.41Å; L482-Q485 PolarHBondContact O-N 3.41Å; Q485-E488 PolarHBondContact O-N 3.04Å; Q485-S489 WeakPolarHBondContact O-CB 3.47Å; Q485-S489 PolarHBondContact O-N 2.89Å; Q485-S489 PolarHBondContact O-OG 3.41Å |
| 486 | L | 98.7 | Very high | 98.5 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -37 | 173.8 | -177.2 | 61 | 0 | 0 | 0 | 113 | L482 Q484 S489 Q490 | L482-L486 VanDerWaalsContact O-CB 3.31Å; L482-L486 WeakPolarHBondContact O-CB 3.47Å; L482-L486 PolarHBondContact O-N 3.05Å; Q484-L486 PolarHBondContact O-N 3.4Å; L486-S489 WeakPolarHBondContact CA-OG 3.49Å; L486-S489 PolarHBondContact O-OG 3Å; L486-Q490 WeakPolarHBondContact O-CB 3.48Å; L486-Q490 PolarHBondContact O-N 2.78Å |
| 487 | R | 98.6 | Very high | 98.5 | Very high | 148 Ų | 148 | 95.2 Ų | 95.2 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.4 | -37.9 | 175.7 | -74.6 | 178.4 | -65 | 116.6 | -6.5 | 111.9 | K483 Q484 A491 | K483-R487 WeakPolarHBondContact O-CG 3.31Å; K483-R487 PolarHBondContact O-NE 3.08Å; Q484-R487 WeakPolarHBondContact O-CA 3.49Å; Q484-R487 WeakPolarHBondContact O-CB 3.2Å; Q484-R487 PolarHBondContact O-N 3.47Å; R487-A491 WeakPolarHBondContact O-CB 3.22Å; R487-A491 PolarHBondContact O-N 2.9Å |
| 488 | E | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -51.3 | 178.6 | -71.6 | 162.2 | 170 | 0 | 0 | 110.5 | Q484 Q485 Q490 A491 E492 | Q484-E488 VanDerWaalsContact CG-CD 3.45Å; Q484-E488 HydrophobicContact CG-CG 4.36Å; Q484-E488 WeakPolarHBondContact CG-OE1 3.17Å; Q484-E488 PolarHBondContact NE2-OE1 2.91Å; Q484-E488 WeakPolarHBondContact O-CG 3.47Å; Q484-E488 PolarHBondContact O-N 3.48Å; Q485-E488 PolarHBondContact O-N 3.04Å; E488-Q490 VanDerWaalsContact C-N 3.32Å; E488-Q490 PolarHBondContact O-N 3.41Å; E488-A491 WeakPolarHBondContact O-CB 3.49Å; E488-A491 PolarHBondContact O-N 2.88Å; E488-A491 VanDerWaalsContact O-N 3.08Å; E488-E492 PolarHBondContact O-N 3.45Å |
| 489 | S | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 95 Ų | 95 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | Q485 L486 E492 V493 | Q485-S489 WeakPolarHBondContact O-CB 3.47Å; Q485-S489 PolarHBondContact O-N 2.89Å; Q485-S489 PolarHBondContact O-OG 3.41Å; L486-S489 WeakPolarHBondContact CA-OG 3.49Å; L486-S489 PolarHBondContact O-OG 3Å; S489-E492 PolarHBondContact O-N 2.83Å; S489-V493 WeakPolarHBondContact O-CG2 3.43Å; S489-V493 PolarHBondContact O-N 2.79Å |
| 490 | Q | 98.6 | Very high | 98.5 | Very high | 126 Ų | 126 | 95.4 Ų | 95.4 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 171.6 | -173.6 | 173.2 | 23.3 | 0 | 0 | 112 | L486 E488 V493 T494 | L486-Q490 WeakPolarHBondContact O-CB 3.48Å; L486-Q490 PolarHBondContact O-N 2.78Å; E488-Q490 VanDerWaalsContact C-N 3.32Å; E488-Q490 PolarHBondContact O-N 3.41Å; Q490-V493 PolarHBondContact O-N 3.2Å; Q490-T494 WeakPolarHBondContact O-CG2 3.47Å; Q490-T494 PolarHBondContact O-N 2.99Å; Q490-T494 PolarHBondContact O-OG1 2.93Å |
| 491 | A | 98.5 | Very high | 98.5 | Very high | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R487 E488 V493 T494 Q495 | R487-A491 WeakPolarHBondContact O-CB 3.22Å; R487-A491 PolarHBondContact O-N 2.9Å; E488-A491 WeakPolarHBondContact O-CB 3.49Å; E488-A491 PolarHBondContact O-N 2.88Å; E488-A491 VanDerWaalsContact O-N 3.08Å; A491-V493 PolarHBondContact O-N 2.93Å; A491-T494 WeakPolarHBondContact CA-OG1 3.28Å; A491-T494 PolarHBondContact O-N 3.45Å; A491-T494 VanDerWaalsContact O-N 3.12Å; A491-T494 PolarHBondContact O-OG1 3.35Å; A491-Q495 PolarHBondContact O-N 3.25Å |
| 492 | E | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 94.9 Ų | 94.9 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.8 | -47.6 | 173.1 | -73.4 | -179.7 | -153.3 | 0 | 0 | 111.8 | E488 S489 T494 Q495 R496 | E488-E492 PolarHBondContact O-N 3.45Å; S489-E492 PolarHBondContact O-N 2.83Å; E492-T494 VanDerWaalsContact C-N 3.3Å; E492-T494 PolarHBondContact O-N 2.71Å; E492-Q495 WeakPolarHBondContact O-CB 3.48Å; E492-Q495 PolarHBondContact O-N 3.48Å; E492-Q495 VanDerWaalsContact O-N 3.12Å; E492-R496 WeakPolarHBondContact O-CG 3.49Å; E492-R496 PolarHBondContact O-N 3.04Å |
| 493 | V | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 94.5 Ų | 94.5 | 62% | 0.624 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -40.2 | 176.6 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | S489 Q490 A491 R496 A497 | S489-V493 WeakPolarHBondContact O-CG2 3.43Å; S489-V493 PolarHBondContact O-N 2.79Å; Q490-V493 PolarHBondContact O-N 3.2Å; A491-V493 PolarHBondContact O-N 2.93Å; V493-R496 PolarHBondContact O-N 2.93Å; V493-A497 WeakPolarHBondContact O-CB 3.13Å; V493-A497 PolarHBondContact O-N 2.89Å |
| 494 | T | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.2 | -35.9 | 174.7 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | Q490 A491 E492 A497 G498 | Q490-T494 WeakPolarHBondContact O-CG2 3.47Å; Q490-T494 PolarHBondContact O-N 2.99Å; Q490-T494 PolarHBondContact O-OG1 2.93Å; A491-T494 WeakPolarHBondContact CA-OG1 3.28Å; A491-T494 PolarHBondContact O-N 3.45Å; A491-T494 VanDerWaalsContact O-N 3.12Å; A491-T494 PolarHBondContact O-OG1 3.35Å; E492-T494 VanDerWaalsContact C-N 3.3Å; E492-T494 PolarHBondContact O-N 2.71Å; T494-A497 PolarHBondContact O-N 3.15Å; T494-G498 PolarHBondContact O-N 3.33Å |
| 495 | Q | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 93 Ų | 93 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 172.8 | -177.2 | -172 | -41.8 | 0 | 0 | 110.9 | A491 E492 A497 G498 E499 | A491-Q495 PolarHBondContact O-N 3.25Å; E492-Q495 WeakPolarHBondContact O-CB 3.48Å; E492-Q495 PolarHBondContact O-N 3.48Å; E492-Q495 VanDerWaalsContact O-N 3.12Å; Q495-A497 VanDerWaalsContact C-N 3.28Å; Q495-A497 PolarHBondContact O-N 3.36Å; Q495-G498 CarbonylContact O-C 3.59Å; Q495-G498 WeakPolarHBondContact O-CA 3.34Å; Q495-G498 PolarHBondContact O-N 3.08Å; Q495-E499 PolarHBondContact NE2-OE1 2.73Å; Q495-E499 WeakPolarHBondContact O-CG 3.49Å; Q495-E499 PolarHBondContact O-N 2.87Å |
| 496 | R | 98.4 | Very high | 98.5 | Very high | 152 Ų | 152 | 94 Ų | 94 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -35.3 | 177.8 | -64.9 | -48.5 | -168 | 167.6 | 3.2 | 112.5 | E492 V493 E499 M500 | E492-R496 WeakPolarHBondContact O-CG 3.49Å; E492-R496 PolarHBondContact O-N 3.04Å; V493-R496 PolarHBondContact O-N 2.93Å; R496-E499 WeakPolarHBondContact CD-OE2 3.47Å; R496-E499 IonicContact CZ-OE2 3.38Å; R496-E499 IonicContact NE-OE2 2.66Å; R496-E499 IonicContact NH1-OE1 2.74Å; R496-E499 IonicContact NH1-OE2 3.18Å; R496-E499 PolarHBondContact NH1-OE2 3.18Å; R496-M500 VanDerWaalsContact O-CB 3.31Å; R496-M500 WeakPolarHBondContact O-CB 3.45Å; R496-M500 PolarHBondContact O-N 3.44Å |
| 497 | A | 98.4 | Very high | 98.4 | Very high | 52 Ų | 52 | 93.4 Ų | 93.4 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V493 T494 Q495 M500 V501 | V493-A497 WeakPolarHBondContact O-CB 3.13Å; V493-A497 PolarHBondContact O-N 2.89Å; T494-A497 PolarHBondContact O-N 3.15Å; Q495-A497 VanDerWaalsContact C-N 3.28Å; Q495-A497 PolarHBondContact O-N 3.36Å; A497-M500 PolarHBondContact O-N 2.93Å; A497-V501 WeakPolarHBondContact O-CG2 3.48Å; A497-V501 PolarHBondContact O-N 3.47Å |
| 498 | G | 98.4 | Very high | 98.4 | Very high | 43 Ų | 43 | 94.2 Ų | 94.2 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T494 Q495 M500 V501 A502 | T494-G498 PolarHBondContact O-N 3.33Å; Q495-G498 CarbonylContact O-C 3.59Å; Q495-G498 WeakPolarHBondContact O-CA 3.34Å; Q495-G498 PolarHBondContact O-N 3.08Å; G498-M500 VanDerWaalsContact C-N 3.32Å; G498-M500 PolarHBondContact O-N 2.99Å; G498-V501 PolarHBondContact O-N 3.46Å; G498-V501 VanDerWaalsContact O-N 3.16Å; G498-A502 PolarHBondContact O-N 2.99Å |
| 499 | E | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 95.1 Ų | 95.1 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.9 | -47.2 | 173.6 | -70.5 | 169.8 | -166.9 | 0 | 0 | 111.1 | Q495 R496 V501 A502 L503 | Q495-E499 PolarHBondContact NE2-OE1 2.73Å; Q495-E499 WeakPolarHBondContact O-CG 3.49Å; Q495-E499 PolarHBondContact O-N 2.87Å; R496-E499 WeakPolarHBondContact CD-OE2 3.47Å; R496-E499 IonicContact CZ-OE2 3.38Å; R496-E499 IonicContact NE-OE2 2.66Å; R496-E499 IonicContact NH1-OE1 2.74Å; R496-E499 IonicContact NH1-OE2 3.18Å; R496-E499 PolarHBondContact NH1-OE2 3.18Å; E499-V501 VanDerWaalsContact C-N 3.33Å; E499-V501 PolarHBondContact O-N 3.21Å; E499-A502 PolarHBondContact O-N 3.4Å; E499-L503 WeakPolarHBondContact O-CB 3.27Å; E499-L503 VanDerWaalsContact O-CG 3.31Å; E499-L503 WeakPolarHBondContact O-CG 3.37Å; E499-L503 PolarHBondContact O-N 2.75Å |
| 500 | M | 98.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 47% | 0.468 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | 178.9 | -166.5 | -169.8 | -62.4 | 0 | 0 | 112.9 | R496 A497 G498 R504 | R496-M500 VanDerWaalsContact O-CB 3.31Å; R496-M500 WeakPolarHBondContact O-CB 3.45Å; R496-M500 PolarHBondContact O-N 3.44Å; A497-M500 PolarHBondContact O-N 2.93Å; G498-M500 VanDerWaalsContact C-N 3.32Å; G498-M500 PolarHBondContact O-N 2.99Å; M500-R504 WeakPolarHBondContact O-CB 3.36Å; M500-R504 VanDerWaalsContact O-CG 3.31Å; M500-R504 WeakPolarHBondContact O-CG 3.34Å; M500-R504 PolarHBondContact O-N 2.73Å; M500-R504 VanDerWaalsContact O-N 3.09Å; M500-R504 VanDerWaalsContact SD-CZ 3.57Å; M500-R504 PolarHBondContact SD-NH1 3.14Å; M500-R504 PolarHBondContact SD-NH2 3.27Å |
| 501 | V | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 95.6 Ų | 95.6 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.9 | -42.4 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 111 | A497 G498 E499 R504 G505 | A497-V501 WeakPolarHBondContact O-CG2 3.48Å; A497-V501 PolarHBondContact O-N 3.47Å; G498-V501 PolarHBondContact O-N 3.46Å; G498-V501 VanDerWaalsContact O-N 3.16Å; E499-V501 VanDerWaalsContact C-N 3.33Å; E499-V501 PolarHBondContact O-N 3.21Å; V501-R504 PolarHBondContact O-N 3.06Å; V501-G505 PolarHBondContact O-N 3.26Å |
| 502 | A | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 94.6 Ų | 94.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | G498 E499 R504 G505 Q506 | G498-A502 PolarHBondContact O-N 2.99Å; E499-A502 PolarHBondContact O-N 3.4Å; A502-R504 VanDerWaalsContact C-N 3.35Å; A502-R504 PolarHBondContact O-N 2.9Å; A502-G505 WeakPolarHBondContact O-CA 3.39Å; A502-G505 PolarHBondContact O-N 3.4Å; A502-Q506 PolarHBondContact O-N 3.37Å |
| 503 | L | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 92.6 Ų | 92.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 175.1 | -70.3 | 169.6 | 0 | 0 | 0 | 112.3 | E499 G505 Q506 L507 | E499-L503 WeakPolarHBondContact O-CB 3.27Å; E499-L503 VanDerWaalsContact O-CG 3.31Å; E499-L503 WeakPolarHBondContact O-CG 3.37Å; E499-L503 PolarHBondContact O-N 2.75Å; L503-G505 VanDerWaalsContact C-N 3.29Å; L503-G505 PolarHBondContact O-N 3.15Å; L503-Q506 PolarHBondContact O-N 2.97Å; L503-L507 WeakPolarHBondContact O-CB 3.44Å; L503-L507 PolarHBondContact O-N 3.41Å |
| 504 | R | 98.3 | Very high | 98.3 | Very high | 141 Ų | 141 | 92 Ų | 92 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -30.1 | 170.9 | -77.6 | 179.1 | -178.4 | 123.4 | 2.7 | 112.9 | M500 V501 A502 K508 | M500-R504 WeakPolarHBondContact O-CB 3.36Å; M500-R504 VanDerWaalsContact O-CG 3.31Å; M500-R504 WeakPolarHBondContact O-CG 3.34Å; M500-R504 PolarHBondContact O-N 2.73Å; M500-R504 VanDerWaalsContact O-N 3.09Å; M500-R504 VanDerWaalsContact SD-CZ 3.57Å; M500-R504 PolarHBondContact SD-NH1 3.14Å; M500-R504 PolarHBondContact SD-NH2 3.27Å; V501-R504 PolarHBondContact O-N 3.06Å; A502-R504 VanDerWaalsContact C-N 3.35Å; A502-R504 PolarHBondContact O-N 2.9Å; R504-K508 WeakPolarHBondContact O-CG 3.38Å; R504-K508 PolarHBondContact O-N 3.06Å; R504-K508 VanDerWaalsContact O-N 3.17Å |
| 505 | G | 98.3 | Very high | 98.2 | Very high | 39 Ų | 39 | 93.5 Ų | 93.5 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -52.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V501 A502 L503 L507 K508 E509 | V501-G505 PolarHBondContact O-N 3.26Å; A502-G505 WeakPolarHBondContact O-CA 3.39Å; A502-G505 PolarHBondContact O-N 3.4Å; L503-G505 VanDerWaalsContact C-N 3.29Å; L503-G505 PolarHBondContact O-N 3.15Å; G505-L507 VanDerWaalsContact C-N 3.32Å; G505-L507 PolarHBondContact O-N 3.02Å; G505-K508 WeakPolarHBondContact O-CB 3.39Å; G505-K508 PolarHBondContact O-N 3.34Å; G505-E509 PolarHBondContact O-N 2.95Å |
| 506 | Q | 98.2 | Very high | 98.2 | Very high | 116 Ų | 116 | 93.1 Ų | 93.1 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 177 | -66.9 | 173.6 | 1.6 | 0 | 0 | 112.4 | A502 L503 K508 E509 L510 | A502-Q506 PolarHBondContact O-N 3.37Å; L503-Q506 PolarHBondContact O-N 2.97Å; Q506-K508 PolarHBondContact O-N 3.37Å; Q506-E509 PolarHBondContact O-N 3.45Å; Q506-L510 WeakPolarHBondContact O-CB 3.44Å; Q506-L510 WeakPolarHBondContact O-CG 3.38Å; Q506-L510 PolarHBondContact O-N 3.12Å |
| 507 | L | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 93.8 Ų | 93.8 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 174.1 | -85.5 | 164.1 | 0 | 0 | 0 | 112.9 | L503 G505 N511 | L503-L507 WeakPolarHBondContact O-CB 3.44Å; L503-L507 PolarHBondContact O-N 3.41Å; G505-L507 VanDerWaalsContact C-N 3.32Å; G505-L507 PolarHBondContact O-N 3.02Å; L507-N511 WeakPolarHBondContact O-CB 3.33Å; L507-N511 PolarHBondContact O-N 2.95Å; L507-N511 VanDerWaalsContact O-N 3.1Å; L507-N511 PolarHBondContact O-ND2 3Å |
| 508 | K | 98.4 | Very high | 98.1 | Very high | 164 Ų | 164 | 95.5 Ų | 95.5 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 175.4 | -75.9 | 174.8 | 177.2 | -175 | 0 | 111.8 | R504 G505 Q506 N511 A512 | R504-K508 WeakPolarHBondContact O-CG 3.38Å; R504-K508 PolarHBondContact O-N 3.06Å; R504-K508 VanDerWaalsContact O-N 3.17Å; G505-K508 WeakPolarHBondContact O-CB 3.39Å; G505-K508 PolarHBondContact O-N 3.34Å; Q506-K508 PolarHBondContact O-N 3.37Å; K508-N511 PolarHBondContact O-N 2.88Å; K508-A512 PolarHBondContact O-N 3.21Å |
| 509 | E | 98.2 | Very high | 98.1 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 178.6 | -178.4 | 54.1 | -146.1 | 0 | 0 | 111.5 | G505 Q506 N511 A512 Q513 | G505-E509 PolarHBondContact O-N 2.95Å; Q506-E509 PolarHBondContact O-N 3.45Å; E509-N511 VanDerWaalsContact C-N 3.3Å; E509-N511 PolarHBondContact O-N 2.96Å; E509-A512 WeakPolarHBondContact O-CA 3.37Å; E509-A512 WeakPolarHBondContact O-CB 3.4Å; E509-A512 PolarHBondContact O-N 3.38Å; E509-Q513 WeakPolarHBondContact O-CG 3.35Å; E509-Q513 PolarHBondContact O-N 2.86Å; E509-Q513 PolarHBondContact OE1-NE2 2.76Å |
| 510 | L | 97.8 | Very high | 98.1 | Very high | 106 Ų | 106 | 100.4 Ų | 100.4 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -34.9 | 175.8 | -70.1 | 171.8 | 0 | 0 | 0 | 112.6 | Q506 A512 Q513 L514 | Q506-L510 WeakPolarHBondContact O-CB 3.44Å; Q506-L510 WeakPolarHBondContact O-CG 3.38Å; Q506-L510 PolarHBondContact O-N 3.12Å; L510-A512 VanDerWaalsContact C-N 3.29Å; L510-A512 PolarHBondContact O-N 3.14Å; L510-Q513 PolarHBondContact O-N 2.84Å; L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.43Å |
| 511 | N | 98.1 | Very high | 98 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.2 | -17.1 | 171.8 | -79.6 | -65.4 | 0 | 0 | 0 | 113.6 | L507 K508 E509 R515 | L507-N511 WeakPolarHBondContact O-CB 3.33Å; L507-N511 PolarHBondContact O-N 2.95Å; L507-N511 VanDerWaalsContact O-N 3.1Å; L507-N511 PolarHBondContact O-ND2 3Å; K508-N511 PolarHBondContact O-N 2.88Å; E509-N511 VanDerWaalsContact C-N 3.3Å; E509-N511 PolarHBondContact O-N 2.96Å; N511-R515 WeakPolarHBondContact O-CG 3.38Å; N511-R515 PolarHBondContact O-NE 2.84Å |
| 512 | A | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 101.8 Ų | 101.8 | 26% | 0.264 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -80 | -45.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K508 E509 L510 L514 R515 E516 | K508-A512 PolarHBondContact O-N 3.21Å; E509-A512 WeakPolarHBondContact O-CA 3.37Å; E509-A512 WeakPolarHBondContact O-CB 3.4Å; E509-A512 PolarHBondContact O-N 3.38Å; L510-A512 VanDerWaalsContact C-N 3.29Å; L510-A512 PolarHBondContact O-N 3.14Å; A512-L514 VanDerWaalsContact C-N 3.32Å; A512-L514 PolarHBondContact O-N 2.95Å; A512-R515 PolarHBondContact O-N 3.05Å; A512-E516 PolarHBondContact O-N 3.48Å |
| 513 | Q | 97.9 | Very high | 97.9 | Very high | 79 Ų | 79 | 101.1 Ų | 101.1 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 174.9 | -65.1 | 174.7 | 16.9 | 0 | 0 | 112.1 | E509 L510 E516 R517 | E509-Q513 WeakPolarHBondContact O-CG 3.35Å; E509-Q513 PolarHBondContact O-N 2.86Å; E509-Q513 PolarHBondContact OE1-NE2 2.76Å; L510-Q513 PolarHBondContact O-N 2.84Å; Q513-E516 PolarHBondContact O-N 2.86Å; Q513-R517 WeakPolarHBondContact O-CG 3.27Å; Q513-R517 PolarHBondContact O-N 3.26Å; Q513-R517 VanDerWaalsContact O-N 3.09Å |
| 514 | L | 97.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -51.3 | 173.3 | 178.5 | 58.7 | 0 | 0 | 0 | 111.3 | L510 A512 E516 R517 E518 | L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.43Å; A512-L514 VanDerWaalsContact C-N 3.32Å; A512-L514 PolarHBondContact O-N 2.95Å; L514-E516 PolarHBondContact O-N 3.34Å; L514-R517 PolarHBondContact O-N 3.38Å; L514-R517 VanDerWaalsContact O-N 3.07Å; L514-E518 HydrophobicContact CD1-CG 4.43Å; L514-E518 WeakPolarHBondContact O-CG 3.3Å; L514-E518 PolarHBondContact O-N 2.84Å |
| 515 | R | 97.8 | Very high | 97.8 | Very high | 125 Ų | 125 | 102.1 Ų | 102.1 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.2 | -72.2 | -178.3 | -60.8 | 97.3 | -2.4 | 113 | N511 A512 R517 E518 E519 | N511-R515 WeakPolarHBondContact O-CG 3.38Å; N511-R515 PolarHBondContact O-NE 2.84Å; A512-R515 PolarHBondContact O-N 3.05Å; R515-R517 VanDerWaalsContact C-N 3.26Å; R515-R517 PolarHBondContact O-N 3.5Å; R515-E518 PolarHBondContact O-N 3.2Å; R515-E518 VanDerWaalsContact O-N 3.13Å; R515-E519 IonicContact NH1-OE1 3.42Å; R515-E519 WeakPolarHBondContact O-CB 3.32Å; R515-E519 VanDerWaalsContact O-CG 3.31Å; R515-E519 WeakPolarHBondContact O-CG 2.95Å; R515-E519 PolarHBondContact O-N 2.98Å |
| 516 | E | 97.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 173 | -176.7 | -171.8 | -140.5 | 0 | 0 | 111.2 | A512 Q513 L514 V520 | A512-E516 PolarHBondContact O-N 3.48Å; Q513-E516 PolarHBondContact O-N 2.86Å; L514-E516 PolarHBondContact O-N 3.34Å; E516-V520 WeakPolarHBondContact O-CB 3.43Å; E516-V520 VanDerWaalsContact O-CG2 3.29Å; E516-V520 WeakPolarHBondContact O-CG2 3.33Å; E516-V520 PolarHBondContact O-N 2.92Å |
| 517 | R | 97.4 | Very high | 97.7 | Very high | 166 Ų | 166 | 102.4 Ų | 102.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.9 | -32 | 175.4 | -61.6 | -59.5 | 172.8 | 80.4 | 5.5 | 113.2 | Q513 L514 R515 M521 | Q513-R517 WeakPolarHBondContact O-CG 3.27Å; Q513-R517 PolarHBondContact O-N 3.26Å; Q513-R517 VanDerWaalsContact O-N 3.09Å; L514-R517 PolarHBondContact O-N 3.38Å; L514-R517 VanDerWaalsContact O-N 3.07Å; R515-R517 VanDerWaalsContact C-N 3.26Å; R515-R517 PolarHBondContact O-N 3.5Å; R517-M521 VanDerWaalsContact O-CB 3.29Å; R517-M521 WeakPolarHBondContact O-CB 3.16Å; R517-M521 PolarHBondContact O-N 2.94Å |
| 518 | E | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 105.5 Ų | 105.5 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 172.2 | -68.3 | 169.3 | 154.6 | 0 | 0 | 111.4 | L514 R515 M521 L522 | L514-E518 HydrophobicContact CD1-CG 4.43Å; L514-E518 WeakPolarHBondContact O-CG 3.3Å; L514-E518 PolarHBondContact O-N 2.84Å; R515-E518 PolarHBondContact O-N 3.2Å; R515-E518 VanDerWaalsContact O-N 3.13Å; E518-M521 WeakPolarHBondContact O-CB 3.41Å; E518-M521 PolarHBondContact O-N 3.34Å; E518-L522 WeakPolarHBondContact O-CG 3.43Å; E518-L522 PolarHBondContact O-N 2.94Å |
| 519 | E | 97.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 174.6 | -71.9 | 168 | -148.5 | 0 | 0 | 111.5 | R515 L522 G523 | R515-E519 IonicContact NH1-OE1 3.42Å; R515-E519 WeakPolarHBondContact O-CB 3.32Å; R515-E519 VanDerWaalsContact O-CG 3.31Å; R515-E519 WeakPolarHBondContact O-CG 2.95Å; R515-E519 PolarHBondContact O-N 2.98Å; E519-L522 PolarHBondContact O-N 3.3Å; E519-G523 PolarHBondContact O-N 3.22Å |
| 520 | V | 97.8 | Very high | 97.6 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 173 | 169.2 | 0 | 0 | 0 | 0 | 112 | E516 G523 L524 | E516-V520 WeakPolarHBondContact O-CB 3.43Å; E516-V520 VanDerWaalsContact O-CG2 3.29Å; E516-V520 WeakPolarHBondContact O-CG2 3.33Å; E516-V520 PolarHBondContact O-N 2.92Å; V520-G523 PolarHBondContact O-N 3.34Å; V520-L524 WeakPolarHBondContact O-CB 3.43Å; V520-L524 PolarHBondContact O-N 2.65Å |
| 521 | M | 96.9 | Very high | 97.6 | Very high | 126 Ų | 126 | 99 Ų | 99 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 175.7 | -169.7 | -154.2 | -51.1 | 0 | 0 | 111.5 | R517 E518 L524 K525 | R517-M521 VanDerWaalsContact O-CB 3.29Å; R517-M521 WeakPolarHBondContact O-CB 3.16Å; R517-M521 PolarHBondContact O-N 2.94Å; E518-M521 WeakPolarHBondContact O-CB 3.41Å; E518-M521 PolarHBondContact O-N 3.34Å; M521-L524 PolarHBondContact O-N 2.87Å; M521-K525 WeakPolarHBondContact O-CB 3.49Å; M521-K525 PolarHBondContact O-N 3.42Å |
| 522 | L | 96.9 | Very high | 97.5 | Very high | 96 Ų | 96 | 96.7 Ų | 96.7 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 175.4 | -74.3 | 165 | 0 | 0 | 0 | 110.9 | E518 E519 L524 K525 D526 | E518-L522 WeakPolarHBondContact O-CG 3.43Å; E518-L522 PolarHBondContact O-N 2.94Å; E519-L522 PolarHBondContact O-N 3.3Å; L522-L524 VanDerWaalsContact C-N 3.29Å; L522-L524 PolarHBondContact O-N 2.74Å; L522-K525 WeakPolarHBondContact O-CB 3.32Å; L522-K525 PolarHBondContact O-N 2.98Å; L522-D526 PolarHBondContact O-N 3.44Å |
| 523 | G | 97.2 | Very high | 97.4 | Very high | 42 Ų | 42 | 100.2 Ų | 100.2 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E519 V520 S527 | E519-G523 PolarHBondContact O-N 3.22Å; V520-G523 PolarHBondContact O-N 3.34Å; G523-S527 WeakPolarHBondContact O-CB 3.39Å; G523-S527 PolarHBondContact O-N 3.41Å |
| 524 | L | 97.3 | Very high | 97.3 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69 | -38.5 | 174.1 | -175.6 | 62.8 | 0 | 0 | 0 | 112.3 | V520 M521 L522 S527 Y528 | V520-L524 WeakPolarHBondContact O-CB 3.43Å; V520-L524 PolarHBondContact O-N 2.65Å; M521-L524 PolarHBondContact O-N 2.87Å; L522-L524 VanDerWaalsContact C-N 3.29Å; L522-L524 PolarHBondContact O-N 2.74Å; L524-S527 PolarHBondContact O-N 3.4Å; L524-Y528 WeakPolarHBondContact O-CB 3.44Å; L524-Y528 PolarHBondContact O-N 3.3Å |
| 525 | K | 97.7 | Very high | 97.2 | Very high | 137 Ų | 137 | 102 Ų | 102 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 176.2 | -177.5 | -172 | 175.4 | -169.6 | 0 | 111.9 | M521 L522 Y528 S529 | M521-K525 WeakPolarHBondContact O-CB 3.49Å; M521-K525 PolarHBondContact O-N 3.42Å; L522-K525 WeakPolarHBondContact O-CB 3.32Å; L522-K525 PolarHBondContact O-N 2.98Å; K525-Y528 PolarHBondContact O-N 2.94Å; K525-S529 WeakPolarHBondContact O-CB 3.47Å; K525-S529 PolarHBondContact O-N 2.89Å |
| 526 | D | 97.8 | Very high | 97.1 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.4 | -67.1 | -18.1 | 0 | 0 | 0 | 111.2 | L522 S529 T530 | L522-D526 PolarHBondContact O-N 3.44Å; D526-S529 PolarHBondContact O-N 2.96Å; D526-T530 WeakPolarHBondContact O-CB 3.43Å; D526-T530 PolarHBondContact O-N 3.25Å; D526-T530 PolarHBondContact O-OG1 3.28Å |
| 527 | S | 97 | Very high | 97 | Very high | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 169.9 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | G523 L524 T530 K531 | G523-S527 WeakPolarHBondContact O-CB 3.39Å; G523-S527 PolarHBondContact O-N 3.41Å; L524-S527 PolarHBondContact O-N 3.4Å; S527-T530 WeakPolarHBondContact O-CB 3.39Å; S527-T530 PolarHBondContact O-N 2.98Å; S527-K531 WeakPolarHBondContact O-CG 3.11Å; S527-K531 PolarHBondContact O-N 3.41Å |
| 528 | Y | 97.1 | Very high | 96.9 | Very high | 167 Ų | 167 | 98.4 Ų | 98.4 | 66% | 0.655 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 175.4 | 176.4 | -96.5 | 0 | 0 | 0 | 112 | L524 K525 T530 K531 C532 | L524-Y528 WeakPolarHBondContact O-CB 3.44Å; L524-Y528 PolarHBondContact O-N 3.3Å; K525-Y528 PolarHBondContact O-N 2.94Å; Y528-T530 VanDerWaalsContact C-N 3.3Å; Y528-T530 PolarHBondContact O-N 3.49Å; Y528-K531 CarbonylContact O-C 3.54Å; Y528-K531 PolarHBondContact O-N 3.24Å; Y528-K531 VanDerWaalsContact O-N 3.09Å; Y528-C532 WeakPolarHBondContact CE1-SG 3.45Å; Y528-C532 VanDerWaalsContact CZ-SG 3.51Å; Y528-C532 PolarHBondContact O-N 3.23Å; Y528-C532 PolarHBondContact O-SG 3.08Å |
| 529 | S | 97.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 98.9 Ų | 98.9 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 176.6 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | K525 D526 K531 C532 L533 | K525-S529 WeakPolarHBondContact O-CB 3.47Å; K525-S529 PolarHBondContact O-N 2.89Å; D526-S529 PolarHBondContact O-N 2.96Å; S529-K531 PolarHBondContact O-N 2.93Å; S529-C532 PolarHBondContact O-N 3.01Å; S529-L533 WeakPolarHBondContact O-CG 3.31Å; S529-L533 PolarHBondContact O-N 3.06Å |
| 530 | T | 97.6 | Very high | 96.7 | Very high | 74 Ų | 74 | 94.2 Ų | 94.2 | 45% | 0.454 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.2 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | D526 S527 Y528 L533 E534 | D526-T530 WeakPolarHBondContact O-CB 3.43Å; D526-T530 PolarHBondContact O-N 3.25Å; D526-T530 PolarHBondContact O-OG1 3.28Å; S527-T530 WeakPolarHBondContact O-CB 3.39Å; S527-T530 PolarHBondContact O-N 2.98Å; Y528-T530 VanDerWaalsContact C-N 3.3Å; Y528-T530 PolarHBondContact O-N 3.49Å; T530-L533 PolarHBondContact O-N 3.5Å; T530-E534 WeakPolarHBondContact O-CG 3.4Å; T530-E534 PolarHBondContact O-N 3.25Å |
| 531 | K | 97.3 | Very high | 96.6 | Very high | 102 Ų | 102 | 93.7 Ų | 93.7 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.1 | -31.4 | 176.2 | -67.1 | -44.3 | -172.6 | -170.4 | 0 | 113.9 | S527 Y528 S529 E534 L535 | S527-K531 WeakPolarHBondContact O-CG 3.11Å; S527-K531 PolarHBondContact O-N 3.41Å; Y528-K531 CarbonylContact O-C 3.54Å; Y528-K531 PolarHBondContact O-N 3.24Å; Y528-K531 VanDerWaalsContact O-N 3.09Å; S529-K531 PolarHBondContact O-N 2.93Å; K531-E534 WeakPolarHBondContact CD-OE1 3.4Å; K531-E534 VanDerWaalsContact CD-OE2 3.27Å; K531-E534 WeakPolarHBondContact CD-OE2 3.48Å; K531-E534 IonicContact NZ-OE1 3.76Å; K531-E534 PolarHBondContact NZ-OE1 2.97Å; K531-E534 IonicContact NZ-OE2 3.33Å; K531-E534 PolarHBondContact NZ-OE2 2.8Å; K531-E534 PolarHBondContact O-N 3.17Å; K531-L535 WeakPolarHBondContact O-CB 3.29Å; K531-L535 VanDerWaalsContact O-CG 3.25Å; K531-L535 WeakPolarHBondContact O-CG 3.16Å; K531-L535 PolarHBondContact O-N 3.32Å |
| 532 | C | 96.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 92.5 Ų | 92.5 | 26% | 0.257 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 169.6 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | Y528 S529 E534 L535 E536 | Y528-C532 WeakPolarHBondContact CE1-SG 3.45Å; Y528-C532 VanDerWaalsContact CZ-SG 3.51Å; Y528-C532 PolarHBondContact O-N 3.23Å; Y528-C532 PolarHBondContact O-SG 3.08Å; S529-C532 PolarHBondContact O-N 3.01Å; C532-E534 PolarHBondContact O-N 3.22Å; C532-L535 PolarHBondContact O-N 2.93Å; C532-L535 VanDerWaalsContact O-N 3.15Å; C532-E536 WeakPolarHBondContact O-CG 3.45Å; C532-E536 PolarHBondContact O-N 3.46Å |
| 533 | L | 97.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 95.6 Ų | 95.6 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.4 | -37 | 176.7 | -67.9 | 167.9 | 0 | 0 | 0 | 112.8 | S529 T530 K537 | S529-L533 WeakPolarHBondContact O-CG 3.31Å; S529-L533 PolarHBondContact O-N 3.06Å; T530-L533 PolarHBondContact O-N 3.5Å; L533-K537 WeakPolarHBondContact O-CB 3.49Å; L533-K537 PolarHBondContact O-N 3.4Å |
| 534 | E | 96.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 41% | 0.407 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 170 | -74.6 | 177.2 | -148.1 | 0 | 0 | 111.8 | T530 K531 C532 K537 C538 | T530-E534 WeakPolarHBondContact O-CG 3.4Å; T530-E534 PolarHBondContact O-N 3.25Å; K531-E534 WeakPolarHBondContact CD-OE1 3.4Å; K531-E534 VanDerWaalsContact CD-OE2 3.27Å; K531-E534 WeakPolarHBondContact CD-OE2 3.48Å; K531-E534 IonicContact NZ-OE1 3.76Å; K531-E534 PolarHBondContact NZ-OE1 2.97Å; K531-E534 IonicContact NZ-OE2 3.33Å; K531-E534 PolarHBondContact NZ-OE2 2.8Å; K531-E534 PolarHBondContact O-N 3.17Å; C532-E534 PolarHBondContact O-N 3.22Å; E534-K537 WeakPolarHBondContact O-CB 3.47Å; E534-K537 PolarHBondContact O-N 2.96Å; E534-C538 PolarHBondContact O-N 3.29Å; E534-C538 PolarHBondContact O-SG 3.21Å |
| 535 | L | 95 | Very high | 96.3 | Very high | 120 Ų | 120 | 97.7 Ų | 97.7 | 63% | 0.628 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.1 | -41.3 | 179 | -74 | 169.9 | 0 | 0 | 0 | 112.7 | K531 C532 K537 C538 E539 | K531-L535 WeakPolarHBondContact O-CB 3.29Å; K531-L535 VanDerWaalsContact O-CG 3.25Å; K531-L535 WeakPolarHBondContact O-CG 3.16Å; K531-L535 PolarHBondContact O-N 3.32Å; C532-L535 PolarHBondContact O-N 2.93Å; C532-L535 VanDerWaalsContact O-N 3.15Å; L535-K537 VanDerWaalsContact C-N 3.29Å; L535-K537 PolarHBondContact O-N 3.49Å; L535-C538 CarbonylContact O-C 3.57Å; L535-C538 PolarHBondContact O-N 2.87Å; L535-E539 PolarHBondContact O-N 2.88Å |
| 536 | E | 95.6 | Very high | 96.2 | Very high | 129 Ų | 129 | 96.3 Ų | 96.3 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.2 | -39.9 | 172.4 | -75.2 | -179.5 | 176 | 0 | 0 | 111.4 | C532 E539 G540 | C532-E536 WeakPolarHBondContact O-CG 3.45Å; C532-E536 PolarHBondContact O-N 3.46Å; E536-E539 PolarHBondContact O-N 3.38Å; E536-G540 PolarHBondContact O-N 3.33Å |
| 537 | K | 96.2 | Very high | 96 | Very high | 125 Ų | 125 | 95 Ų | 95 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 173.6 | -178.3 | 178.4 | 176.9 | -73 | 0 | 111.3 | L533 E534 L535 G540 E541 | L533-K537 WeakPolarHBondContact O-CB 3.49Å; L533-K537 PolarHBondContact O-N 3.4Å; E534-K537 WeakPolarHBondContact O-CB 3.47Å; E534-K537 PolarHBondContact O-N 2.96Å; L535-K537 VanDerWaalsContact C-N 3.29Å; L535-K537 PolarHBondContact O-N 3.49Å; K537-G540 PolarHBondContact O-N 2.92Å; K537-E541 VanDerWaalsContact CE-OE1 3.28Å; K537-E541 WeakPolarHBondContact CE-OE1 3.29Å; K537-E541 WeakPolarHBondContact CG-OE1 3.47Å; K537-E541 IonicContact NZ-OE1 2.66Å; K537-E541 PolarHBondContact NZ-OE1 3.31Å; K537-E541 IonicContact NZ-OE2 2.62Å; K537-E541 WeakPolarHBondContact O-CG 3.31Å; K537-E541 PolarHBondContact O-N 2.89Å |
| 538 | C | 95.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 97 Ų | 97 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | E534 L535 E541 L542 | E534-C538 PolarHBondContact O-N 3.29Å; E534-C538 PolarHBondContact O-SG 3.21Å; L535-C538 CarbonylContact O-C 3.57Å; L535-C538 PolarHBondContact O-N 2.87Å; C538-E541 PolarHBondContact O-N 3.45Å; C538-L542 WeakPolarHBondContact O-CB 3.38Å; C538-L542 PolarHBondContact O-N 3.17Å |
| 539 | E | 95.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 92.2 Ų | 92.2 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.3 | -165.5 | -153.5 | 120.4 | 0 | 0 | 110.8 | L535 E536 E541 L542 R543 | L535-E539 PolarHBondContact O-N 2.88Å; E536-E539 PolarHBondContact O-N 3.38Å; E539-E541 VanDerWaalsContact C-N 3.35Å; E539-E541 PolarHBondContact O-N 3.29Å; E539-L542 PolarHBondContact O-N 3.34Å; E539-R543 WeakPolarHBondContact O-CB 3.36Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 2.96Å; E539-R543 WeakPolarHBondContact OE1-CD 3.23Å; E539-R543 IonicContact OE1-CZ 2.66Å; E539-R543 IonicContact OE1-NE 3.63Å; E539-R543 IonicContact OE1-NH1 2.69Å; E539-R543 PolarHBondContact OE1-NH1 2.66Å |
| 540 | G | 95.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 91.8 Ų | 91.8 | 22% | 0.216 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E536 K537 R544 | E536-G540 PolarHBondContact O-N 3.33Å; K537-G540 PolarHBondContact O-N 2.92Å; G540-R544 WeakPolarHBondContact O-CG 3.28Å; G540-R544 PolarHBondContact O-N 2.86Å; G540-R544 VanDerWaalsContact O-N 3.09Å; G540-R544 PolarHBondContact O-NH1 3.21Å; G540-R544 VanDerWaalsContact O-NH1 3.16Å |
| 541 | E | 96.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 92 Ų | 92 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 172.7 | -75.4 | 169.2 | -166.1 | 0 | 0 | 111.3 | K537 C538 E539 R543 R544 T545 | K537-E541 VanDerWaalsContact CE-OE1 3.28Å; K537-E541 WeakPolarHBondContact CE-OE1 3.29Å; K537-E541 WeakPolarHBondContact CG-OE1 3.47Å; K537-E541 IonicContact NZ-OE1 2.66Å; K537-E541 PolarHBondContact NZ-OE1 3.31Å; K537-E541 IonicContact NZ-OE2 2.62Å; K537-E541 WeakPolarHBondContact O-CG 3.31Å; K537-E541 PolarHBondContact O-N 2.89Å; C538-E541 PolarHBondContact O-N 3.45Å; E539-E541 VanDerWaalsContact C-N 3.35Å; E539-E541 PolarHBondContact O-N 3.29Å; E541-R543 PolarHBondContact O-N 2.94Å; E541-R544 WeakPolarHBondContact O-CB 3.45Å; E541-R544 PolarHBondContact O-N 2.98Å; E541-T545 PolarHBondContact O-N 2.67Å |
| 542 | L | 95.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 92.2 Ų | 92.2 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 174.1 | -178.1 | 61.5 | 0 | 0 | 0 | 111.8 | C538 E539 R544 T545 L546 | C538-L542 WeakPolarHBondContact O-CB 3.38Å; C538-L542 PolarHBondContact O-N 3.17Å; E539-L542 PolarHBondContact O-N 3.34Å; L542-R544 VanDerWaalsContact C-N 3.34Å; L542-R544 PolarHBondContact O-N 3.03Å; L542-T545 PolarHBondContact O-N 3.19Å; L542-T545 PolarHBondContact O-OG1 3.23Å; L542-L546 WeakPolarHBondContact O-CB 3.38Å; L542-L546 PolarHBondContact O-N 3.28Å |
| 543 | R | 95.5 | Very high | 95.1 | Very high | 160 Ų | 160 | 99.1 Ų | 99.1 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 177.3 | -76.4 | 169.4 | 88.7 | 156.2 | 2.9 | 112.3 | E539 E541 L546 S547 | E539-R543 WeakPolarHBondContact O-CB 3.36Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 2.96Å; E539-R543 WeakPolarHBondContact OE1-CD 3.23Å; E539-R543 IonicContact OE1-CZ 2.66Å; E539-R543 IonicContact OE1-NE 3.63Å; E539-R543 IonicContact OE1-NH1 2.69Å; E539-R543 PolarHBondContact OE1-NH1 2.66Å; E541-R543 PolarHBondContact O-N 2.94Å; R543-L546 PolarHBondContact O-N 3.31Å; R543-S547 PolarHBondContact O-N 3.23Å; R543-S547 PolarHBondContact O-OG 3.01Å; R543-S547 VanDerWaalsContact O-OG 3.09Å |
| 544 | R | 96.1 | Very high | 94.9 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 170.9 | -69.8 | 175.6 | -159.2 | 101.2 | -1.2 | 111 | G540 E541 L542 L546 S547 E548 | G540-R544 WeakPolarHBondContact O-CG 3.28Å; G540-R544 PolarHBondContact O-N 2.86Å; G540-R544 VanDerWaalsContact O-N 3.09Å; G540-R544 PolarHBondContact O-NH1 3.21Å; G540-R544 VanDerWaalsContact O-NH1 3.16Å; E541-R544 WeakPolarHBondContact O-CB 3.45Å; E541-R544 PolarHBondContact O-N 2.98Å; L542-R544 VanDerWaalsContact C-N 3.34Å; L542-R544 PolarHBondContact O-N 3.03Å; R544-L546 VanDerWaalsContact C-N 3.27Å; R544-L546 PolarHBondContact O-N 2.98Å; R544-S547 WeakPolarHBondContact O-CB 3.44Å; R544-S547 PolarHBondContact O-N 3.07Å; R544-S547 VanDerWaalsContact O-N 3.1Å; R544-E548 WeakPolarHBondContact O-CG 3.38Å; R544-E548 PolarHBondContact O-N 2.98Å |
| 545 | T | 93.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 100.7 Ų | 100.7 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -32.8 | 178.3 | 65 | 0 | 0 | 0 | 0 | 113.1 | E541 L542 E548 V549 | E541-T545 PolarHBondContact O-N 2.67Å; L542-T545 PolarHBondContact O-N 3.19Å; L542-T545 PolarHBondContact O-OG1 3.23Å; T545-E548 PolarHBondContact O-N 2.81Å; T545-V549 WeakPolarHBondContact O-CB 3.36Å; T545-V549 VanDerWaalsContact O-CG2 3.24Å; T545-V549 WeakPolarHBondContact O-CG2 3.43Å; T545-V549 PolarHBondContact O-N 2.66Å |
| 546 | L | 95.6 | Very high | 94.6 | Very high | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.1 | -41.3 | 173.7 | -103.6 | 167.5 | 0 | 0 | 0 | 112.2 | L542 R543 R544 V549 S550 | L542-L546 WeakPolarHBondContact O-CB 3.38Å; L542-L546 PolarHBondContact O-N 3.28Å; R543-L546 PolarHBondContact O-N 3.31Å; R544-L546 VanDerWaalsContact C-N 3.27Å; R544-L546 PolarHBondContact O-N 2.98Å; L546-V549 PolarHBondContact O-N 3.42Å; L546-S550 PolarHBondContact O-N 2.66Å |
| 547 | S | 94.9 | Very high | 94.4 | Very high | 70 Ų | 70 | 94.9 Ų | 94.9 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 172.6 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | R543 R544 S550 I551 | R543-S547 PolarHBondContact O-N 3.23Å; R543-S547 PolarHBondContact O-OG 3.01Å; R543-S547 VanDerWaalsContact O-OG 3.09Å; R544-S547 WeakPolarHBondContact O-CB 3.44Å; R544-S547 PolarHBondContact O-N 3.07Å; R544-S547 VanDerWaalsContact O-N 3.1Å; S547-S550 WeakPolarHBondContact O-CB 3.28Å; S547-S550 PolarHBondContact O-N 3.08Å; S547-I551 WeakPolarHBondContact O-CG1 3.48Å; S547-I551 PolarHBondContact O-N 3.42Å |
| 548 | E | 94.8 | Very high | 94.1 | Very high | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.1 | -71.1 | 161 | -156 | 0 | 0 | 111.3 | R544 T545 S550 I551 L552 | R544-E548 WeakPolarHBondContact O-CG 3.38Å; R544-E548 PolarHBondContact O-N 2.98Å; T545-E548 PolarHBondContact O-N 2.81Å; E548-S550 PolarHBondContact O-N 2.9Å; E548-I551 PolarHBondContact O-N 3.48Å; E548-L552 WeakPolarHBondContact O-CB 3.34Å; E548-L552 VanDerWaalsContact O-CG 3.23Å; E548-L552 WeakPolarHBondContact O-CG 3.45Å; E548-L552 PolarHBondContact O-N 3.07Å |
| 549 | V | 93.4 | Very high | 93.8 | Very high | 65 Ų | 65 | 95 Ų | 95 | 39% | 0.394 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 174.2 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | T545 L546 L552 R553 | T545-V549 WeakPolarHBondContact O-CB 3.36Å; T545-V549 VanDerWaalsContact O-CG2 3.24Å; T545-V549 WeakPolarHBondContact O-CG2 3.43Å; T545-V549 PolarHBondContact O-N 2.66Å; L546-V549 PolarHBondContact O-N 3.42Å; V549-L552 PolarHBondContact O-N 3.49Å; V549-R553 HydrophobicContact CG1-CG 4.49Å; V549-R553 WeakPolarHBondContact O-CB 3.45Å; V549-R553 VanDerWaalsContact O-CG 3.25Å; V549-R553 WeakPolarHBondContact O-CG 3.22Å; V549-R553 PolarHBondContact O-N 3.49Å |
| 550 | S | 94 | Very high | 93.5 | Very high | 55 Ų | 55 | 95.8 Ų | 95.8 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 171.6 | -163.9 | 0 | 0 | 0 | 0 | 111 | L546 S547 E548 L552 R553 E554 | L546-S550 PolarHBondContact O-N 2.66Å; S547-S550 WeakPolarHBondContact O-CB 3.28Å; S547-S550 PolarHBondContact O-N 3.08Å; E548-S550 PolarHBondContact O-N 2.9Å; S550-L552 VanDerWaalsContact C-N 3.26Å; S550-L552 PolarHBondContact O-N 2.96Å; S550-R553 CarbonylContact O-C 3.6Å; S550-R553 WeakPolarHBondContact O-CA 3.27Å; S550-R553 WeakPolarHBondContact O-CB 3.41Å; S550-R553 PolarHBondContact O-N 3.01Å; S550-E554 WeakPolarHBondContact O-CG 3.35Å; S550-E554 PolarHBondContact O-N 2.94Å; S550-E554 PolarHBondContact OG-OE1 3.45Å |
| 551 | I | 93.6 | Very high | 93 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 41% | 0.41 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 177.7 | -66.4 | 163.1 | 0 | 0 | 0 | 111.1 | S547 E548 K555 | S547-I551 WeakPolarHBondContact O-CG1 3.48Å; S547-I551 PolarHBondContact O-N 3.42Å; E548-I551 PolarHBondContact O-N 3.48Å; I551-K555 HydrophobicContact CG2-CD 4.19Å; I551-K555 WeakPolarHBondContact O-CB 3.34Å; I551-K555 VanDerWaalsContact O-CG 3.22Å; I551-K555 WeakPolarHBondContact O-CG 3.45Å; I551-K555 PolarHBondContact O-N 3.27Å |
| 552 | L | 92.8 | Very high | 92.6 | Very high | 106 Ų | 106 | 98.2 Ų | 98.2 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.4 | -34.3 | 174.2 | -72.7 | 169 | 0 | 0 | 0 | 112.6 | E548 V549 S550 L556 | E548-L552 WeakPolarHBondContact O-CB 3.34Å; E548-L552 VanDerWaalsContact O-CG 3.23Å; E548-L552 WeakPolarHBondContact O-CG 3.45Å; E548-L552 PolarHBondContact O-N 3.07Å; V549-L552 PolarHBondContact O-N 3.49Å; S550-L552 VanDerWaalsContact C-N 3.26Å; S550-L552 PolarHBondContact O-N 2.96Å; L552-L556 VanDerWaalsContact O-CB 3.27Å; L552-L556 WeakPolarHBondContact O-CB 3.45Å; L552-L556 PolarHBondContact O-N 3.01Å |
| 553 | R | 93.3 | Very high | 92 | Very high | 182 Ų | 182 | 96.7 Ų | 96.7 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.1 | -38.6 | 171.9 | -75.9 | 171.8 | 179 | -135.5 | 1.3 | 112.4 | V549 S550 L556 G557 | V549-R553 HydrophobicContact CG1-CG 4.49Å; V549-R553 WeakPolarHBondContact O-CB 3.45Å; V549-R553 VanDerWaalsContact O-CG 3.25Å; V549-R553 WeakPolarHBondContact O-CG 3.22Å; V549-R553 PolarHBondContact O-N 3.49Å; S550-R553 CarbonylContact O-C 3.6Å; S550-R553 WeakPolarHBondContact O-CA 3.27Å; S550-R553 WeakPolarHBondContact O-CB 3.41Å; S550-R553 PolarHBondContact O-N 3.01Å; R553-L556 PolarHBondContact O-N 3.38Å; R553-G557 PolarHBondContact O-N 3.44Å |
| 554 | E | 93.4 | Very high | 91.4 | Very high | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 174.3 | -71.4 | 156.2 | -135.1 | 0 | 0 | 110.3 | S550 L556 G557 V558 | S550-E554 WeakPolarHBondContact O-CG 3.35Å; S550-E554 PolarHBondContact O-N 2.94Å; S550-E554 PolarHBondContact OG-OE1 3.45Å; E554-L556 VanDerWaalsContact C-N 3.35Å; E554-L556 PolarHBondContact O-N 2.74Å; E554-G557 PolarHBondContact O-N 3.1Å; E554-V558 WeakPolarHBondContact O-CG2 3.36Å; E554-V558 PolarHBondContact O-N 3.4Å |
| 555 | K | 94.4 | Very high | 90.4 | Very high | 112 Ų | 112 | 90.5 Ų | 90.5 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 170.9 | -74.8 | 169.9 | -179.5 | 177.8 | 0 | 112.1 | I551 G557 V558 F559 | I551-K555 HydrophobicContact CG2-CD 4.19Å; I551-K555 WeakPolarHBondContact O-CB 3.34Å; I551-K555 VanDerWaalsContact O-CG 3.22Å; I551-K555 WeakPolarHBondContact O-CG 3.45Å; I551-K555 PolarHBondContact O-N 3.27Å; K555-G557 VanDerWaalsContact C-N 3.35Å; K555-V558 PolarHBondContact O-N 2.93Å; K555-F559 HydrophobicContact CB-CD2 4.5Å; K555-F559 HydrophobicContact CB-CE2 4.27Å; K555-F559 WeakPolarHBondContact O-CD2 3.45Å; K555-F559 WeakPolarHBondContact O-CG 3.22Å; K555-F559 PolarHBondContact O-N 2.95Å |
| 556 | L | 91.8 | Very high | 89.7 | Confident | 93 Ų | 93 | 93 Ų | 93 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.5 | -178.6 | 62.8 | 0 | 0 | 0 | 111.3 | L552 R553 E554 V558 F559 E560 | L552-L556 VanDerWaalsContact O-CB 3.27Å; L552-L556 WeakPolarHBondContact O-CB 3.45Å; L552-L556 PolarHBondContact O-N 3.01Å; R553-L556 PolarHBondContact O-N 3.38Å; E554-L556 VanDerWaalsContact C-N 3.35Å; E554-L556 PolarHBondContact O-N 2.74Å; L556-V558 VanDerWaalsContact C-N 3.34Å; L556-V558 PolarHBondContact O-N 3.2Å; L556-F559 CarbonylContact O-C 3.56Å; L556-F559 PolarHBondContact O-N 2.71Å; L556-E560 HydrophobicContact CD1-CG 4.37Å; L556-E560 HydrophobicContact CG-CG 4.39Å; L556-E560 WeakPolarHBondContact O-CB 3.35Å; L556-E560 WeakPolarHBondContact O-CG 3.46Å; L556-E560 PolarHBondContact O-N 2.71Å |
| 557 | G | 90 | Very high | 88.6 | Confident | 34 Ų | 34 | 94 Ų | 94 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R553 E554 K555 E560 A561 | R553-G557 PolarHBondContact O-N 3.44Å; E554-G557 PolarHBondContact O-N 3.1Å; K555-G557 VanDerWaalsContact C-N 3.35Å; G557-E560 PolarHBondContact O-N 2.74Å; G557-A561 WeakPolarHBondContact O-CB 3.5Å; G557-A561 PolarHBondContact O-N 3.13Å |
| 558 | V | 90.1 | Very high | 87.4 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 169.7 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | E554 K555 L556 E560 A561 E562 | E554-V558 WeakPolarHBondContact O-CG2 3.36Å; E554-V558 PolarHBondContact O-N 3.4Å; K555-V558 PolarHBondContact O-N 2.93Å; L556-V558 VanDerWaalsContact C-N 3.34Å; L556-V558 PolarHBondContact O-N 3.2Å; V558-E560 VanDerWaalsContact C-N 3.29Å; V558-E560 PolarHBondContact O-N 3.47Å; V558-A561 CarbonylContact O-C 3.3Å; V558-A561 PolarHBondContact O-N 3.35Å; V558-A561 VanDerWaalsContact O-N 3.15Å; V558-E562 HydrophobicContact CG1-CG 4.46Å; V558-E562 WeakPolarHBondContact O-CB 3.4Å; V558-E562 WeakPolarHBondContact O-CG 3.39Å; V558-E562 PolarHBondContact O-N 3.41Å |
| 559 | F | 88.8 | Confident | 85.8 | Confident | 120 Ų | 120 | 95 Ų | 95 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -31.5 | 175.7 | -68.5 | -49.2 | 0 | 0 | 0 | 112.9 | K555 L556 E562 V563 | K555-F559 HydrophobicContact CB-CD2 4.5Å; K555-F559 HydrophobicContact CB-CE2 4.27Å; K555-F559 WeakPolarHBondContact O-CD2 3.45Å; K555-F559 WeakPolarHBondContact O-CG 3.22Å; K555-F559 PolarHBondContact O-N 2.95Å; L556-F559 CarbonylContact O-C 3.56Å; L556-F559 PolarHBondContact O-N 2.71Å; F559-E562 WeakPolarHBondContact CD1-OE2 3.39Å; F559-V563 WeakPolarHBondContact O-CB 3.26Å; F559-V563 WeakPolarHBondContact O-CG2 3.44Å; F559-V563 PolarHBondContact O-N 2.97Å |
| 560 | E | 90.4 | Very high | 83.8 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -39 | 173.2 | -78.6 | 178.7 | 178.3 | 0 | 0 | 111.2 | L556 G557 V558 V563 L564 | L556-E560 HydrophobicContact CD1-CG 4.37Å; L556-E560 HydrophobicContact CG-CG 4.39Å; L556-E560 WeakPolarHBondContact O-CB 3.35Å; L556-E560 WeakPolarHBondContact O-CG 3.46Å; L556-E560 PolarHBondContact O-N 2.71Å; G557-E560 PolarHBondContact O-N 2.74Å; V558-E560 VanDerWaalsContact C-N 3.29Å; V558-E560 PolarHBondContact O-N 3.47Å; E560-V563 PolarHBondContact O-N 3Å; E560-L564 VanDerWaalsContact O-CB 3.24Å; E560-L564 WeakPolarHBondContact O-CB 3.47Å; E560-L564 WeakPolarHBondContact O-CG 3.4Å; E560-L564 PolarHBondContact O-N 2.84Å |
| 561 | A | 85.9 | Confident | 81.4 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G557 V558 L564 S565 | G557-A561 WeakPolarHBondContact O-CB 3.5Å; G557-A561 PolarHBondContact O-N 3.13Å; V558-A561 CarbonylContact O-C 3.3Å; V558-A561 PolarHBondContact O-N 3.35Å; V558-A561 VanDerWaalsContact O-N 3.15Å; A561-L564 PolarHBondContact O-N 3.04Å; A561-S565 VanDerWaalsContact O-CB 3.32Å; A561-S565 WeakPolarHBondContact O-CB 3.42Å; A561-S565 PolarHBondContact O-N 3.25Å |
| 562 | E | 86.3 | Confident | 79.2 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 171.4 | -73.5 | 175.9 | -176.4 | 0 | 0 | 111 | V558 F559 L564 S565 L566 | V558-E562 HydrophobicContact CG1-CG 4.46Å; V558-E562 WeakPolarHBondContact O-CB 3.4Å; V558-E562 WeakPolarHBondContact O-CG 3.39Å; V558-E562 PolarHBondContact O-N 3.41Å; F559-E562 WeakPolarHBondContact CD1-OE2 3.39Å; E562-L564 VanDerWaalsContact C-N 3.3Å; E562-L564 PolarHBondContact O-N 2.83Å; E562-S565 CarbonylContact O-C 3.58Å; E562-S565 WeakPolarHBondContact O-CB 3.46Å; E562-S565 PolarHBondContact O-N 3.16Å; E562-S565 VanDerWaalsContact O-N 3.17Å; E562-L566 VanDerWaalsContact O-CB 3.31Å; E562-L566 WeakPolarHBondContact O-CB 3.49Å; E562-L566 VanDerWaalsContact O-CG 3.24Å; E562-L566 WeakPolarHBondContact O-CG 3.34Å; E562-L566 PolarHBondContact O-N 3.26Å |
| 563 | V | 84 | Confident | 76.5 | Confident | 69 Ų | 69 | 100.2 Ų | 100.2 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -30.5 | 175.8 | 165.1 | 0 | 0 | 0 | 0 | 111.9 | F559 E560 K567 | F559-V563 WeakPolarHBondContact O-CB 3.26Å; F559-V563 WeakPolarHBondContact O-CG2 3.44Å; F559-V563 PolarHBondContact O-N 2.97Å; E560-V563 PolarHBondContact O-N 3Å; V563-K567 HydrophobicContact CG1-CD 4.13Å; V563-K567 HydrophobicContact CG1-CG 4.42Å; V563-K567 WeakPolarHBondContact O-CA 3.47Å; V563-K567 WeakPolarHBondContact O-CB 3.3Å; V563-K567 WeakPolarHBondContact O-CG 3.33Å; V563-K567 PolarHBondContact O-N 2.97Å |
| 564 | L | 82.8 | Confident | 73.5 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.3 | -32.5 | 172.2 | -75.6 | 170.2 | 0 | 0 | 0 | 112.3 | E560 A561 E562 R568 | E560-L564 VanDerWaalsContact O-CB 3.24Å; E560-L564 WeakPolarHBondContact O-CB 3.47Å; E560-L564 WeakPolarHBondContact O-CG 3.4Å; E560-L564 PolarHBondContact O-N 2.84Å; A561-L564 PolarHBondContact O-N 3.04Å; E562-L564 VanDerWaalsContact C-N 3.3Å; E562-L564 PolarHBondContact O-N 2.83Å; L564-R568 WeakPolarHBondContact O-CB 3.41Å; L564-R568 PolarHBondContact O-N 3.35Å |
| 565 | S | 74.6 | Confident | 70.7 | Confident | 69 Ų | 69 | 101.2 Ų | 101.2 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 170.7 | -166.1 | 0 | 0 | 0 | 0 | 110.8 | A561 E562 K567 R568 A569 | A561-S565 VanDerWaalsContact O-CB 3.32Å; A561-S565 WeakPolarHBondContact O-CB 3.42Å; A561-S565 PolarHBondContact O-N 3.25Å; E562-S565 CarbonylContact O-C 3.58Å; E562-S565 WeakPolarHBondContact O-CB 3.46Å; E562-S565 PolarHBondContact O-N 3.16Å; E562-S565 VanDerWaalsContact O-N 3.17Å; S565-K567 PolarHBondContact O-N 2.89Å; S565-R568 WeakPolarHBondContact O-CB 3.26Å; S565-R568 PolarHBondContact O-N 3.11Å; S565-R568 VanDerWaalsContact O-N 3.16Å; S565-A569 WeakPolarHBondContact O-CB 3.48Å; S565-A569 PolarHBondContact O-N 3.47Å |
| 566 | L | 78.4 | Confident | 67.6 | Low | 117 Ų | 117 | 99.1 Ų | 99.1 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 173.8 | -69.9 | 167.3 | 0 | 0 | 0 | 111.8 | E562 L570 | E562-L566 VanDerWaalsContact O-CB 3.31Å; E562-L566 WeakPolarHBondContact O-CB 3.49Å; E562-L566 VanDerWaalsContact O-CG 3.24Å; E562-L566 WeakPolarHBondContact O-CG 3.34Å; E562-L566 PolarHBondContact O-N 3.26Å; L566-L570 WeakPolarHBondContact O-CB 3.26Å; L566-L570 PolarHBondContact O-N 2.84Å |
| 567 | K | 73.4 | Confident | 64.6 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.3 | -31.5 | 171.5 | -83.5 | 176.4 | 176.8 | 177.6 | 0 | 112.7 | V563 S565 S571 | V563-K567 HydrophobicContact CG1-CD 4.13Å; V563-K567 HydrophobicContact CG1-CG 4.42Å; V563-K567 WeakPolarHBondContact O-CA 3.47Å; V563-K567 WeakPolarHBondContact O-CB 3.3Å; V563-K567 WeakPolarHBondContact O-CG 3.33Å; V563-K567 PolarHBondContact O-N 2.97Å; S565-K567 PolarHBondContact O-N 2.89Å; K567-S571 VanDerWaalsContact O-CB 3.29Å; K567-S571 WeakPolarHBondContact O-CB 3.4Å; K567-S571 PolarHBondContact O-N 3.26Å; K567-S571 PolarHBondContact O-OG 3.42Å |
| 568 | R | 70.3 | Confident | 61.6 | Low | 151 Ų | 151 | 106.9 Ų | 106.9 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.6 | -51.5 | 171.7 | -170.1 | 176.8 | -63.6 | 115.4 | 1.7 | 109.6 | L564 S565 L570 S571 E572 | L564-R568 WeakPolarHBondContact O-CB 3.41Å; L564-R568 PolarHBondContact O-N 3.35Å; S565-R568 WeakPolarHBondContact O-CB 3.26Å; S565-R568 PolarHBondContact O-N 3.11Å; S565-R568 VanDerWaalsContact O-N 3.16Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 3.04Å; R568-S571 WeakPolarHBondContact CA-OG 3.34Å; R568-S571 PolarHBondContact O-N 3.36Å; R568-S571 VanDerWaalsContact O-N 3.1Å; R568-S571 PolarHBondContact O-OG 3Å; R568-E572 WeakPolarHBondContact O-CG 3.19Å; R568-E572 PolarHBondContact O-N 3.37Å |
| 569 | A | 60.4 | Low | 58.7 | Low | 46 Ų | 46 | 108.2 Ų | 108.2 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -57.1 | -38.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S565 E572 A573 | S565-A569 WeakPolarHBondContact O-CB 3.48Å; S565-A569 PolarHBondContact O-N 3.47Å; A569-E572 CarbonylContact O-C 3.59Å; A569-E572 WeakPolarHBondContact O-CB 3.49Å; A569-E572 PolarHBondContact O-N 3.46Å; A569-A573 WeakPolarHBondContact O-CA 3.16Å; A569-A573 WeakPolarHBondContact O-CB 3.37Å; A569-A573 PolarHBondContact O-N 3Å |
| 570 | L | 51.2 | Low | 56 | Low | 96 Ų | 96 | 109.5 Ų | 109.5 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.7 | -32.6 | 176.3 | -172.2 | 68.2 | 0 | 0 | 0 | 112.6 | L566 R568 E572 A573 S574 | L566-L570 WeakPolarHBondContact O-CB 3.26Å; L566-L570 PolarHBondContact O-N 2.84Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 3.04Å; L570-E572 PolarHBondContact O-N 2.94Å; L570-A573 CarbonylContact O-C 3.55Å; L570-A573 VanDerWaalsContact O-C 3.3Å; L570-A573 PolarHBondContact O-N 3.5Å; L570-A573 VanDerWaalsContact O-N 3.12Å; L570-S574 WeakPolarHBondContact CD1-O 3.48Å; L570-S574 CarbonylContact O-C 3.6Å; L570-S574 PolarHBondContact O-N 3.1Å; L570-S574 VanDerWaalsContact O-O 3.12Å |
| 571 | S | 44 | Very low | 53.2 | Low | 97 Ų | 97 | 110.7 Ų | 110.7 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.2 | -24.1 | 170.3 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | K567 R568 | K567-S571 VanDerWaalsContact O-CB 3.29Å; K567-S571 WeakPolarHBondContact O-CB 3.4Å; K567-S571 PolarHBondContact O-N 3.26Å; K567-S571 PolarHBondContact O-OG 3.42Å; R568-S571 WeakPolarHBondContact CA-OG 3.34Å; R568-S571 PolarHBondContact O-N 3.36Å; R568-S571 VanDerWaalsContact O-N 3.1Å; R568-S571 PolarHBondContact O-OG 3Å |
| 572 | E | 46.2 | Very low | 50.7 | Low | 157 Ų | 157 | 112.9 Ų | 112.9 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -86.2 | -22.2 | 169.1 | -67.2 | 166.4 | 170.8 | 0 | 0 | 112.2 | R568 A569 L570 | R568-E572 WeakPolarHBondContact O-CG 3.19Å; R568-E572 PolarHBondContact O-N 3.37Å; A569-E572 CarbonylContact O-C 3.59Å; A569-E572 WeakPolarHBondContact O-CB 3.49Å; A569-E572 PolarHBondContact O-N 3.46Å; L570-E572 PolarHBondContact O-N 2.94Å |
| 573 | A | 37.8 | Very low | 48.8 | Very low | 66 Ų | 66 | 113.5 Ų | 113.5 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -125.3 | 52.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A569 L570 | A569-A573 WeakPolarHBondContact O-CA 3.16Å; A569-A573 WeakPolarHBondContact O-CB 3.37Å; A569-A573 PolarHBondContact O-N 3Å; L570-A573 CarbonylContact O-C 3.55Å; L570-A573 VanDerWaalsContact O-C 3.3Å; L570-A573 PolarHBondContact O-N 3.5Å; L570-A573 VanDerWaalsContact O-N 3.12Å |
| 574 | S | 29.8 | Very low | 46.3 | Very low | 75 Ų | 75 | 117.1 Ų | 117.1 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | trans | 77.2 | 130.1 | 171.5 | -154.8 | 0 | 0 | 0 | 0 | 115 | L570 | L570-S574 WeakPolarHBondContact CD1-O 3.48Å; L570-S574 CarbonylContact O-C 3.6Å; L570-S574 PolarHBondContact O-N 3.1Å; L570-S574 VanDerWaalsContact O-O 3.12Å | ||
| 575 | R | 34.1 | Very low | 43.9 | Very low | 242 Ų | 242 | 119.8 Ų | 119.8 | 91% | 0.913 | 68% | 0.678 | S | S | * | * | 53.8 | 97.3 | 69.1 | -111.3 | -174.9 | -177 | -152.5 | 3.1 | 112.5 | |||||
| 576 | G | 29 | Very low | 41.7 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | trans | 78.7 | 160.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 577 | A | 28.2 | Very low | 39.4 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | cis | -154 | 165.4 | -15.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 578 | E | 28 | Very low | 37.3 | Very low | 185 Ų | 185 | 118.2 Ų | 118.2 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -39.9 | 175.4 | 178.4 | -138.4 | 174.9 | -178.9 | 0 | 0 | 121.1 | ||||
| 579 | V | 29.9 | Very low | 35.4 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | trans | 110.6 | 101.1 | 144.6 | 162.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 580 | I | 31.4 | Very low | 33.9 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 46.1 | 132.6 | 130.6 | -33.9 | 169.9 | 0 | 0 | 0 | 122.5 | ||||
| 581 | V | 32.1 | Very low | 33.4 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | 160.6 | 145.7 | 121.3 | 165.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 582 | S | 33.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -89 | -156.8 | -178.5 | -35.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 583 | P | 46.4 | Very low | 33.9 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -141.6 | -179.5 | 2.1 | 44.7 | -24.9 | 0 | 0 | 0 | 118.5 | ||||
| 584 | N | 30.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 26.7 | 133.7 | 146.8 | -63.2 | -15.3 | 0 | 0 | 0 | 123.5 | ||||
| 585 | L | 33.3 | Very low | 33.7 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | -173 | 141 | 101.8 | -108 | 86.5 | 0 | 0 | 0 | 107.1 | |||||
| 586 | A | 28.7 | Very low | 33.6 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 68.5 | 135.3 | 58 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 587 | A | 29.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -165.7 | 174 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 588 | A | 28.4 | Very low | 33.6 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | 61 | 145.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 589 | G | 30.3 | Very low | 33.7 | Very low | 69 Ų | 69 | 127 Ų | 127 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 97.7 | 102.4 | -6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 590 | L | 30.8 | Very low | 33.7 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | trans | -167 | 153.4 | 141.6 | -106.2 | 167.6 | 0 | 0 | 0 | 112.3 | ||||
| 591 | L | 38.8 | Very low | 33.5 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -104.5 | -166.5 | 177.6 | -77.9 | 162.8 | 0 | 0 | 0 | 108.6 | ||||
| 592 | P | 59.3 | Low | 33.7 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -120 | -133.9 | -56.9 | 36.4 | -17.4 | 0 | 0 | 0 | 106.6 | |||||
| 593 | P | 43.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -124.7 | 178.8 | -23.6 | 30.9 | -9 | 0 | 0 | 0 | 115 | ||||
| 594 | W | 33.9 | Very low | 33.7 | Very low | 262 Ų | 262 | 134.9 Ų | 134.9 | 99% | 0.992 | 79% | 0.794 | S | S | * | * | trans | -108 | 161.5 | 179 | -77.4 | 19.3 | 0 | 0 | 0 | 112.6 | ||||
| 595 | G | 28.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -164.2 | 114.5 | 161 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 596 | A | 30.9 | Very low | 34.7 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | 47.5 | 157.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 597 | V | 31.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | cis | -150.4 | 147.3 | 10.2 | 179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 598 | H | 26.8 | Very low | 36.4 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -174 | 156.6 | 156.5 | -111 | 49.6 | 0 | 0 | 0 | 110.4 | ||||
| 599 | C | 28.5 | Very low | 36.6 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | cis | -164.7 | -168.6 | -16.8 | -145.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 600 | L | 30.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -59.2 | 160.9 | 173.1 | -103.7 | 66.3 | 0 | 0 | 0 | 116.3 | ||||
| 601 | R | 27.6 | Very low | 36.7 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | 178.9 | 156.8 | 97.4 | -161.9 | 163.2 | 178.2 | 127.1 | 0.2 | 116.3 | |||||
| 602 | N | 35.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -80.9 | 170.8 | 174.2 | -149 | 26.4 | 0 | 0 | 0 | 113.3 | ||||
| 603 | P | 51.3 | Low | 36.4 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | -145.9 | -160.8 | 81 | 31.5 | -6.2 | 0 | 0 | 0 | 112.8 | |||||
| 604 | T | 28.2 | Very low | 35.9 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | -162.4 | 175.2 | 18.8 | -26.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 605 | E | 31.4 | Very low | 36.5 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -108.4 | -151.9 | 166.2 | -45 | -175.5 | 124.9 | 0 | 0 | 110.5 | ||||
| 606 | P | 53.2 | Low | 37.2 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -139.6 | -142.9 | 0.6 | 38.3 | -12.6 | 0 | 0 | 0 | 114.3 | ||||
| 607 | P | 62.3 | Low | 38.1 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | -111.6 | -169.8 | -68.2 | 27.2 | -5.2 | 0 | 0 | 0 | 112.5 | |||||
| 608 | T | 32.5 | Very low | 39 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | cis | -176.9 | 150.2 | 45.6 | -34.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 609 | S | 31.6 | Very low | 40.3 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 59.8 | 155.4 | 153.4 | 46.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 610 | S | 28.3 | Very low | 41.4 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | cis | -171.8 | 143.1 | -16.9 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 611 | L | 34.8 | Very low | 42.5 | Very low | 152 Ų | 152 | 123.8 Ų | 123.8 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | 54 | 107.6 | 146 | -63.2 | 172.2 | 0 | 0 | 0 | 125.3 | ||||
| 612 | T | 36.8 | Very low | 43.6 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 70% | 0.697 | S | S | * | * | trans | 72.9 | -175.5 | 132.4 | 72.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 613 | P | 56 | Low | 44.8 | Very low | 106 Ų | 106 | 115 Ų | 115 | 69% | 0.688 | 68% | 0.68 | S | S | * | * | -132.4 | 167 | -105.6 | 38.8 | -18 | 0 | 0 | 0 | 117.2 | |||||
| 614 | T | 33.4 | Very low | 45.6 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | trans | -173.6 | 134.2 | 155.1 | 3.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 615 | S | 45.9 | Very low | 47.6 | Very low | 88 Ų | 88 | 113.6 Ų | 113.6 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | trans | -127.5 | -25.9 | -174.8 | -60.4 | 0 | 0 | 0 | 0 | 115.4 | T617 | S615-T617 PolarHBondContact O-N 2.83Š| ||
| 616 | D | 43.9 | Very low | 49.5 | Very low | 136 Ų | 136 | 106.6 Ų | 106.6 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -14.9 | -163.3 | -52.2 | -74.4 | 0 | 0 | 0 | 114.7 | ||
| 617 | T | 48.6 | Very low | 50.5 | Low | 100 Ų | 100 | 106 Ų | 106 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.9 | -27.5 | -177.1 | -38.6 | 0 | 0 | 0 | 0 | 113.5 | S615 | S615-T617 PolarHBondContact O-N 2.83Å |
| 618 | L | 51.3 | Low | 51.2 | Low | 125 Ų | 125 | 103.6 Ų | 103.6 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.7 | -28.9 | -173.9 | -81.3 | 167.4 | 0 | 0 | 0 | 113.9 | S620 Q622 | L618-S620 PolarHBondContact O-N 3.22Å; L618-Q622 PolarHBondContact O-N 2.93Å |
| 619 | L | 53.4 | Low | 53.3 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 65% | 0.654 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.8 | -26.2 | -176.8 | -68.2 | 174.4 | 0 | 0 | 0 | 113.4 | S623 | L619-S623 PolarHBondContact O-N 2.99Å |
| 620 | S | 51.6 | Low | 55.5 | Low | 71 Ų | 71 | 106.8 Ų | 106.8 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.2 | -45.9 | 174.8 | -161.3 | 0 | 0 | 0 | 0 | 111.4 | L618 S623 D624 | L618-S620 PolarHBondContact O-N 3.22Å; S620-S623 VanDerWaalsContact O-CB 3.24Å; S620-S623 WeakPolarHBondContact O-CB 3.26Å; S620-S623 PolarHBondContact O-N 3.12Å; S620-D624 PolarHBondContact O-N 3.16Å |
| 621 | L | 54.5 | Low | 58 | Low | 114 Ų | 114 | 107.1 Ų | 107.1 | 60% | 0.597 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | -175.5 | -66.5 | 170.3 | 0 | 0 | 0 | 112.2 | S623 D624 E625 | L621-S623 PolarHBondContact O-N 3.2Å; L621-D624 PolarHBondContact O-N 3.11Å; L621-E625 PolarHBondContact O-N 3.38Å; L621-E625 VanDerWaalsContact O-N 3.1Å |
| 622 | Q | 50.8 | Low | 60.5 | Low | 141 Ų | 141 | 105.8 Ų | 105.8 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.1 | -28.3 | 171.9 | -82.3 | -169 | -24.4 | 0 | 0 | 113.3 | L618 A626 | L618-Q622 PolarHBondContact O-N 2.93Å; Q622-A626 WeakPolarHBondContact O-CB 3.4Å; Q622-A626 PolarHBondContact O-N 3.35Å |
| 623 | S | 60.6 | Low | 62.8 | Low | 56 Ų | 56 | 101.8 Ų | 101.8 | 39% | 0.392 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69 | -42.4 | 177.4 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | L619 S620 L621 K627 | L619-S623 PolarHBondContact O-N 2.99Å; S620-S623 VanDerWaalsContact O-CB 3.24Å; S620-S623 WeakPolarHBondContact O-CB 3.26Å; S620-S623 PolarHBondContact O-N 3.12Å; L621-S623 PolarHBondContact O-N 3.2Å; S623-K627 WeakPolarHBondContact O-CG 3.47Å; S623-K627 PolarHBondContact O-N 2.92Å; S623-K627 VanDerWaalsContact O-N 3.13Å |
| 624 | D | 68.5 | Low | 64.3 | Low | 76 Ų | 76 | 98 Ų | 98 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.2 | -38.8 | -177.1 | -66.2 | -37 | 0 | 0 | 0 | 112.8 | S620 L621 A626 K627 A628 | S620-D624 PolarHBondContact O-N 3.16Å; L621-D624 PolarHBondContact O-N 3.11Å; D624-A626 VanDerWaalsContact C-N 3.31Å; D624-A626 PolarHBondContact O-N 3.21Å; D624-K627 WeakPolarHBondContact O-CB 3.31Å; D624-K627 PolarHBondContact O-N 3.41Å; D624-K627 IonicContact OD1-NZ 2.69Å; D624-K627 PolarHBondContact OD1-NZ 3.15Å; D624-A628 PolarHBondContact O-N 2.99Å |
| 625 | E | 70.9 | Confident | 67 | Low | 125 Ų | 125 | 95.3 Ų | 95.3 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -36.3 | 173.1 | -168 | 170.6 | -177.4 | 0 | 0 | 111.6 | L621 K627 A628 Q629 | L621-E625 PolarHBondContact O-N 3.38Å; L621-E625 VanDerWaalsContact O-N 3.1Å; E625-K627 VanDerWaalsContact C-N 3.29Å; E625-K627 PolarHBondContact O-N 2.94Å; E625-A628 PolarHBondContact O-N 3.27Å; E625-Q629 WeakPolarHBondContact O-CG 3.3Å; E625-Q629 PolarHBondContact O-N 2.9Å |
| 626 | A | 69.9 | Low | 69.3 | Low | 32 Ų | 32 | 95.4 Ų | 95.4 | 26% | 0.264 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.5 | -17.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q622 D624 R630 | Q622-A626 WeakPolarHBondContact O-CB 3.4Å; Q622-A626 PolarHBondContact O-N 3.35Å; D624-A626 VanDerWaalsContact C-N 3.31Å; D624-A626 PolarHBondContact O-N 3.21Å; A626-R630 VanDerWaalsContact C-NH1 3.29Å; A626-R630 WeakPolarHBondContact O-CD 3.35Å; A626-R630 VanDerWaalsContact O-CG 3.29Å; A626-R630 WeakPolarHBondContact O-CG 3.19Å; A626-R630 PolarHBondContact O-NH1 2.85Å |
| 627 | K | 74.3 | Confident | 71.5 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.3 | -51.3 | 167.3 | -70.1 | 163 | -155.9 | 164 | 0 | 109.6 | S623 D624 E625 Q629 R630 D631 | S623-K627 WeakPolarHBondContact O-CG 3.47Å; S623-K627 PolarHBondContact O-N 2.92Å; S623-K627 VanDerWaalsContact O-N 3.13Å; D624-K627 WeakPolarHBondContact O-CB 3.31Å; D624-K627 PolarHBondContact O-N 3.41Å; D624-K627 IonicContact OD1-NZ 2.69Å; D624-K627 PolarHBondContact OD1-NZ 3.15Å; E625-K627 VanDerWaalsContact C-N 3.29Å; E625-K627 PolarHBondContact O-N 2.94Å; K627-Q629 VanDerWaalsContact C-N 3.29Å; K627-Q629 PolarHBondContact O-N 3Å; K627-R630 CarbonylContact O-C 3.56Å; K627-R630 WeakPolarHBondContact O-CA 3.25Å; K627-R630 WeakPolarHBondContact O-CB 3.37Å; K627-R630 PolarHBondContact O-N 2.95Å; K627-D631 PolarHBondContact O-N 2.98Å |
| 628 | A | 77.9 | Confident | 73.7 | Confident | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -51 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D624 E625 R630 D631 E632 | D624-A628 PolarHBondContact O-N 2.99Å; E625-A628 PolarHBondContact O-N 3.27Å; A628-R630 VanDerWaalsContact C-N 3.31Å; A628-R630 PolarHBondContact O-N 3.3Å; A628-D631 PolarHBondContact O-N 3.14Å; A628-E632 VanDerWaalsContact O-CB 3.31Å; A628-E632 WeakPolarHBondContact O-CB 3.32Å; A628-E632 PolarHBondContact O-N 3.48Å |
| 629 | Q | 76.7 | Confident | 75.7 | Confident | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -27.8 | 176.2 | -69.2 | 178.7 | 10.8 | 0 | 0 | 114.2 | E625 K627 A633 | E625-Q629 WeakPolarHBondContact O-CG 3.3Å; E625-Q629 PolarHBondContact O-N 2.9Å; K627-Q629 VanDerWaalsContact C-N 3.29Å; K627-Q629 PolarHBondContact O-N 3Å; Q629-A633 WeakPolarHBondContact O-CB 3.4Å; Q629-A633 PolarHBondContact O-N 2.71Å; Q629-A633 VanDerWaalsContact O-N 3.12Å |
| 630 | R | 76.8 | Confident | 77.6 | Confident | 172 Ų | 172 | 96.1 Ų | 96.1 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -78 | -38.1 | 174.1 | -70.9 | 175.4 | -174.9 | 108.5 | -8.9 | 111.5 | A626 K627 A628 A633 G634 | A626-R630 VanDerWaalsContact C-NH1 3.29Å; A626-R630 WeakPolarHBondContact O-CD 3.35Å; A626-R630 VanDerWaalsContact O-CG 3.29Å; A626-R630 WeakPolarHBondContact O-CG 3.19Å; A626-R630 PolarHBondContact O-NH1 2.85Å; K627-R630 CarbonylContact O-C 3.56Å; K627-R630 WeakPolarHBondContact O-CA 3.25Å; K627-R630 WeakPolarHBondContact O-CB 3.37Å; K627-R630 PolarHBondContact O-N 2.95Å; A628-R630 VanDerWaalsContact C-N 3.31Å; A628-R630 PolarHBondContact O-N 3.3Å; R630-A633 PolarHBondContact O-N 2.88Å; R630-G634 PolarHBondContact O-N 3.47Å |
| 631 | D | 82.1 | Confident | 79.7 | Confident | 111 Ų | 111 | 99 Ų | 99 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.2 | -41.3 | 178.2 | -62.8 | -38.1 | 0 | 0 | 0 | 111 | K627 A628 G634 E635 | K627-D631 PolarHBondContact O-N 2.98Å; A628-D631 PolarHBondContact O-N 3.14Å; D631-G634 CarbonylContact O-C 3.49Å; D631-G634 WeakPolarHBondContact O-CA 3.27Å; D631-G634 PolarHBondContact O-N 3.26Å; D631-E635 PolarHBondContact O-N 3.02Å |
| 632 | E | 86.6 | Confident | 81.6 | Confident | 123 Ų | 123 | 99.4 Ų | 99.4 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 170.4 | -175.5 | 178.6 | -155.7 | 0 | 0 | 111.6 | A628 G634 E635 L636 | A628-E632 VanDerWaalsContact O-CB 3.31Å; A628-E632 WeakPolarHBondContact O-CB 3.32Å; A628-E632 PolarHBondContact O-N 3.48Å; E632-G634 PolarHBondContact O-N 3.35Å; E632-E635 PolarHBondContact O-N 3.11Å; E632-L636 HydrophobicContact CG-CD1 4.32Å; E632-L636 WeakPolarHBondContact O-CB 3.21Å; E632-L636 WeakPolarHBondContact O-CG 3.28Å; E632-L636 PolarHBondContact O-N 3.09Å |
| 633 | A | 85 | Confident | 83.8 | Confident | 42 Ų | 42 | 98.2 Ų | 98.2 | 35% | 0.347 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -23.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q629 R630 R637 | Q629-A633 WeakPolarHBondContact O-CB 3.4Å; Q629-A633 PolarHBondContact O-N 2.71Å; Q629-A633 VanDerWaalsContact O-N 3.12Å; R630-A633 PolarHBondContact O-N 2.88Å; A633-R637 VanDerWaalsContact O-CD 3.24Å; A633-R637 WeakPolarHBondContact O-CD 3.31Å; A633-R637 WeakPolarHBondContact O-CG 3.41Å; A633-R637 PolarHBondContact O-N 3.08Å |
| 634 | G | 87.3 | Confident | 85.4 | Confident | 27 Ų | 27 | 101.2 Ų | 101.2 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.6 | -41.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R630 D631 E632 R637 R638 | R630-G634 PolarHBondContact O-N 3.47Å; D631-G634 CarbonylContact O-C 3.49Å; D631-G634 WeakPolarHBondContact O-CA 3.27Å; D631-G634 PolarHBondContact O-N 3.26Å; E632-G634 PolarHBondContact O-N 3.35Å; G634-R637 PolarHBondContact O-N 3.13Å; G634-R638 PolarHBondContact O-N 3.12Å |
| 635 | E | 91.1 | Very high | 86.7 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 172.3 | -179.2 | 59.5 | -116 | 0 | 0 | 110.9 | D631 E632 R637 R638 Q639 | D631-E635 PolarHBondContact O-N 3.02Å; E632-E635 PolarHBondContact O-N 3.11Å; E635-R637 PolarHBondContact O-N 3.27Å; E635-R638 PolarHBondContact O-N 3.32Å; E635-R638 IonicContact OE1-CZ 3.89Å; E635-R638 IonicContact OE1-NH1 3.64Å; E635-R638 PolarHBondContact OE1-NH1 2.77Å; E635-R638 IonicContact OE2-CZ 3.83Å; E635-R638 IonicContact OE2-NH1 2.65Å; E635-R638 PolarHBondContact OE2-NH1 3.1Å; E635-R638 IonicContact OE2-NH2 3.76Å; E635-R638 PolarHBondContact OE2-NH2 3.21Å; E635-Q639 WeakPolarHBondContact O-CG 3.48Å; E635-Q639 PolarHBondContact O-N 3.41Å; E635-Q639 WeakPolarHBondContact OE1-CG 3.4Å; E635-Q639 PolarHBondContact OE1-NE2 2.86Å |
| 636 | L | 92.6 | Very high | 87.9 | Confident | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -33.9 | 176.7 | -70.2 | 170.8 | 0 | 0 | 0 | 112.8 | E632 L640 | E632-L636 HydrophobicContact CG-CD1 4.32Å; E632-L636 WeakPolarHBondContact O-CB 3.21Å; E632-L636 WeakPolarHBondContact O-CG 3.28Å; E632-L636 PolarHBondContact O-N 3.09Å; L636-L640 WeakPolarHBondContact O-CB 3.49Å; L636-L640 VanDerWaalsContact O-CG 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.33Å; L636-L640 PolarHBondContact O-N 3.33Å |
| 637 | R | 91.6 | Very high | 89.1 | Confident | 184 Ų | 184 | 99.3 Ų | 99.3 | 69% | 0.694 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | 172.8 | -77.3 | 166.4 | -171.6 | -81.3 | -1.5 | 112.1 | A633 G634 E635 Q639 L640 E641 | A633-R637 VanDerWaalsContact O-CD 3.24Å; A633-R637 WeakPolarHBondContact O-CD 3.31Å; A633-R637 WeakPolarHBondContact O-CG 3.41Å; A633-R637 PolarHBondContact O-N 3.08Å; G634-R637 PolarHBondContact O-N 3.13Å; E635-R637 PolarHBondContact O-N 3.27Å; R637-Q639 VanDerWaalsContact C-N 3.34Å; R637-Q639 PolarHBondContact O-N 3.01Å; R637-L640 PolarHBondContact O-N 2.98Å; R637-E641 WeakPolarHBondContact O-CB 3.25Å; R637-E641 PolarHBondContact O-N 3.02Å |
| 638 | R | 94.1 | Very high | 90.2 | Very high | 119 Ų | 119 | 102 Ų | 102 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175 | -75.9 | -171.1 | -78.7 | 93.5 | -4.8 | 111.8 | G634 E635 E641 Q642 | G634-R638 PolarHBondContact O-N 3.12Å; E635-R638 PolarHBondContact O-N 3.32Å; E635-R638 IonicContact OE1-CZ 3.89Å; E635-R638 IonicContact OE1-NH1 3.64Å; E635-R638 PolarHBondContact OE1-NH1 2.77Å; E635-R638 IonicContact OE2-CZ 3.83Å; E635-R638 IonicContact OE2-NH1 2.65Å; E635-R638 PolarHBondContact OE2-NH1 3.1Å; E635-R638 IonicContact OE2-NH2 3.76Å; E635-R638 PolarHBondContact OE2-NH2 3.21Å; R638-E641 PolarHBondContact O-N 3.33Å; R638-Q642 WeakPolarHBondContact O-CB 3.39Å; R638-Q642 VanDerWaalsContact O-CG 3.26Å; R638-Q642 WeakPolarHBondContact O-CG 3.34Å; R638-Q642 PolarHBondContact O-N 3.23Å |
| 639 | Q | 92.6 | Very high | 91 | Very high | 82 Ų | 82 | 104.8 Ų | 104.8 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.7 | -68.7 | 177.5 | 12 | 0 | 0 | 112.1 | E635 R637 E641 Q642 L643 | E635-Q639 WeakPolarHBondContact O-CG 3.48Å; E635-Q639 PolarHBondContact O-N 3.41Å; E635-Q639 WeakPolarHBondContact OE1-CG 3.4Å; E635-Q639 PolarHBondContact OE1-NE2 2.86Å; R637-Q639 VanDerWaalsContact C-N 3.34Å; R637-Q639 PolarHBondContact O-N 3.01Å; Q639-E641 PolarHBondContact O-N 2.82Å; Q639-Q642 PolarHBondContact O-N 3.45Å; Q639-L643 WeakPolarHBondContact O-CB 3.2Å; Q639-L643 VanDerWaalsContact O-CG 3.29Å; Q639-L643 WeakPolarHBondContact O-CG 3.35Å; Q639-L643 PolarHBondContact O-N 3.45Å |
| 640 | L | 94.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 173.1 | -77.1 | 168.6 | 0 | 0 | 0 | 112.2 | L636 R637 L643 Q644 | L636-L640 WeakPolarHBondContact O-CB 3.49Å; L636-L640 VanDerWaalsContact O-CG 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.33Å; L636-L640 PolarHBondContact O-N 3.33Å; R637-L640 PolarHBondContact O-N 2.98Å; L640-L643 PolarHBondContact O-N 2.89Å; L640-Q644 VanDerWaalsContact O-CB 3.25Å; L640-Q644 WeakPolarHBondContact O-CB 3.43Å; L640-Q644 PolarHBondContact O-N 3.44Å |
| 641 | E | 95.2 | Very high | 92.8 | Very high | 130 Ų | 130 | 101.1 Ų | 101.1 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.5 | -38.8 | 178.4 | -173.5 | 164.5 | -144.2 | 0 | 0 | 112.3 | R637 R638 Q639 Q644 G645 | R637-E641 WeakPolarHBondContact O-CB 3.25Å; R637-E641 PolarHBondContact O-N 3.02Å; R638-E641 PolarHBondContact O-N 3.33Å; Q639-E641 PolarHBondContact O-N 2.82Å; E641-Q644 PolarHBondContact O-N 2.96Å; E641-G645 PolarHBondContact O-N 3Å |
| 642 | Q | 95.5 | Very high | 93.5 | Very high | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.3 | -50.4 | 171.1 | -75.2 | 172.9 | 4.7 | 0 | 0 | 111.5 | R638 Q639 Q644 G645 V646 | R638-Q642 WeakPolarHBondContact O-CB 3.39Å; R638-Q642 VanDerWaalsContact O-CG 3.26Å; R638-Q642 WeakPolarHBondContact O-CG 3.34Å; R638-Q642 PolarHBondContact O-N 3.23Å; Q639-Q642 PolarHBondContact O-N 3.45Å; Q642-Q644 VanDerWaalsContact C-N 3.3Å; Q642-Q644 PolarHBondContact O-N 3.41Å; Q642-G645 CarbonylContact O-C 3.58Å; Q642-G645 WeakPolarHBondContact O-CA 3.49Å; Q642-G645 PolarHBondContact O-N 3.24Å; Q642-V646 WeakPolarHBondContact O-CG2 3.47Å; Q642-V646 PolarHBondContact O-N 3.13Å |
| 643 | L | 95.9 | Very high | 93.9 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 176.9 | -72.1 | 169.9 | 0 | 0 | 0 | 111.9 | Q639 L640 G645 V646 L647 | Q639-L643 WeakPolarHBondContact O-CB 3.2Å; Q639-L643 VanDerWaalsContact O-CG 3.29Å; Q639-L643 WeakPolarHBondContact O-CG 3.35Å; Q639-L643 PolarHBondContact O-N 3.45Å; L640-L643 PolarHBondContact O-N 2.89Å; L643-G645 VanDerWaalsContact C-N 3.3Å; L643-G645 PolarHBondContact O-N 3.19Å; L643-V646 PolarHBondContact O-N 3.21Å; L643-L647 WeakPolarHBondContact O-CB 3.26Å; L643-L647 PolarHBondContact O-N 3.26Å |
| 644 | Q | 95.3 | Very high | 94.3 | Very high | 119 Ų | 119 | 103.5 Ų | 103.5 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69 | -27.5 | 173.3 | -166.8 | 178.8 | 21.3 | 0 | 0 | 112.3 | L640 E641 Q642 R648 | L640-Q644 VanDerWaalsContact O-CB 3.25Å; L640-Q644 WeakPolarHBondContact O-CB 3.43Å; L640-Q644 PolarHBondContact O-N 3.44Å; E641-Q644 PolarHBondContact O-N 2.96Å; Q642-Q644 VanDerWaalsContact C-N 3.3Å; Q642-Q644 PolarHBondContact O-N 3.41Å; Q644-R648 WeakPolarHBondContact O-CG 3.35Å; Q644-R648 PolarHBondContact O-N 2.92Å; Q644-R648 PolarHBondContact O-NE 3.48Å |
| 645 | G | 94.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 107.7 Ų | 107.7 | 20% | 0.196 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.7 | -51.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E641 Q642 L643 L647 R648 L649 | E641-G645 PolarHBondContact O-N 3Å; Q642-G645 CarbonylContact O-C 3.58Å; Q642-G645 WeakPolarHBondContact O-CA 3.49Å; Q642-G645 PolarHBondContact O-N 3.24Å; L643-G645 VanDerWaalsContact C-N 3.3Å; L643-G645 PolarHBondContact O-N 3.19Å; G645-L647 PolarHBondContact O-N 3.49Å; G645-R648 WeakPolarHBondContact O-CB 3.24Å; G645-R648 PolarHBondContact O-N 3.44Å; G645-R648 VanDerWaalsContact O-N 3.14Å; G645-L649 PolarHBondContact O-N 3.48Å |
| 646 | V | 96 | Very high | 95 | Very high | 92 Ų | 92 | 111.9 Ų | 111.9 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 177.6 | 175 | 0 | 0 | 0 | 0 | 111.1 | Q642 L643 R648 L649 E650 | Q642-V646 WeakPolarHBondContact O-CG2 3.47Å; Q642-V646 PolarHBondContact O-N 3.13Å; L643-V646 PolarHBondContact O-N 3.21Å; V646-R648 VanDerWaalsContact C-N 3.27Å; V646-R648 PolarHBondContact O-N 3.34Å; V646-L649 PolarHBondContact O-N 3.17Å; V646-L649 VanDerWaalsContact O-N 3.15Å; V646-E650 WeakPolarHBondContact O-CB 3.32Å; V646-E650 PolarHBondContact O-N 2.79Å |
| 647 | L | 96.3 | Very high | 95 | Very high | 82 Ų | 82 | 112.1 Ų | 112.1 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -34 | 177.5 | -170 | 75.5 | 0 | 0 | 0 | 112.9 | L643 G645 R651 | L643-L647 WeakPolarHBondContact O-CB 3.26Å; L643-L647 PolarHBondContact O-N 3.26Å; G645-L647 PolarHBondContact O-N 3.49Å; L647-R651 WeakPolarHBondContact O-CB 3.25Å; L647-R651 VanDerWaalsContact O-CG 3.27Å; L647-R651 WeakPolarHBondContact O-CG 3.38Å; L647-R651 PolarHBondContact O-N 2.85Å |
| 648 | R | 95.9 | Very high | 95.2 | Very high | 151 Ų | 151 | 105.5 Ų | 105.5 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.6 | -43 | 175 | -78.8 | 175.6 | -74.1 | 167 | -5.4 | 111.7 | Q644 G645 V646 R651 Q652 | Q644-R648 WeakPolarHBondContact O-CG 3.35Å; Q644-R648 PolarHBondContact O-N 2.92Å; Q644-R648 PolarHBondContact O-NE 3.48Å; G645-R648 WeakPolarHBondContact O-CB 3.24Å; G645-R648 PolarHBondContact O-N 3.44Å; G645-R648 VanDerWaalsContact O-N 3.14Å; V646-R648 VanDerWaalsContact C-N 3.27Å; V646-R648 PolarHBondContact O-N 3.34Å; R648-R651 PolarHBondContact O-N 3.28Å; R648-Q652 PolarHBondContact O-N 3.44Å |
| 649 | L | 95.9 | Very high | 95.4 | Very high | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 175.7 | -72.1 | 164.5 | 0 | 0 | 0 | 111.5 | G645 V646 Q652 Q653 | G645-L649 PolarHBondContact O-N 3.48Å; V646-L649 PolarHBondContact O-N 3.17Å; V646-L649 VanDerWaalsContact O-N 3.15Å; L649-Q652 PolarHBondContact O-N 2.88Å; L649-Q653 WeakPolarHBondContact O-CB 3.14Å; L649-Q653 PolarHBondContact O-N 3.19Å |
| 650 | E | 95.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 104.7 Ų | 104.7 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 178.8 | -163.4 | -152.7 | -159 | 0 | 0 | 111.9 | V646 Q653 R654 | V646-E650 WeakPolarHBondContact O-CB 3.32Å; V646-E650 PolarHBondContact O-N 2.79Å; E650-Q653 PolarHBondContact O-N 2.92Å; E650-R654 VanDerWaalsContact CD-CZ 3.46Å; E650-R654 WeakPolarHBondContact O-CG 3.29Å; E650-R654 PolarHBondContact O-N 3.3Å; E650-R654 IonicContact OE1-CZ 3.67Å; E650-R654 IonicContact OE1-NH1 2.97Å; E650-R654 PolarHBondContact OE1-NH1 2.93Å; E650-R654 IonicContact OE1-NH2 3.9Å; E650-R654 PolarHBondContact OE1-NH2 2.87Å; E650-R654 IonicContact OE2-CZ 2.75Å; E650-R654 IonicContact OE2-NH1 2.78Å; E650-R654 PolarHBondContact OE2-NH1 3.13Å; E650-R654 IonicContact OE2-NH2 3.16Å; E650-R654 PolarHBondContact OE2-NH2 3.45Å |
| 651 | R | 94.8 | Very high | 95.7 | Very high | 140 Ų | 140 | 104.2 Ų | 104.2 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -49.1 | 169.8 | -76.5 | 176.2 | -176.5 | -157.3 | 1 | 112 | L647 R648 Q653 R654 E655 | L647-R651 WeakPolarHBondContact O-CB 3.25Å; L647-R651 VanDerWaalsContact O-CG 3.27Å; L647-R651 WeakPolarHBondContact O-CG 3.38Å; L647-R651 PolarHBondContact O-N 2.85Å; R648-R651 PolarHBondContact O-N 3.28Å; R651-Q653 PolarHBondContact O-N 3.34Å; R651-R654 PolarHBondContact O-N 3.46Å; R651-R654 VanDerWaalsContact O-N 3.09Å; R651-E655 WeakPolarHBondContact O-CG 3.35Å; R651-E655 PolarHBondContact O-N 2.84Å |
| 652 | Q | 96.4 | Very high | 95.7 | Very high | 82 Ų | 82 | 101 Ų | 101 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -32 | 176.8 | -176.3 | 176.4 | 93 | 0 | 0 | 112.4 | R648 L649 R656 | R648-Q652 PolarHBondContact O-N 3.44Å; L649-Q652 PolarHBondContact O-N 2.88Å; Q652-R656 VanDerWaalsContact CD-NH2 3.26Å; Q652-R656 WeakPolarHBondContact O-CG 3.4Å; Q652-R656 PolarHBondContact O-N 2.89Å; Q652-R656 VanDerWaalsContact OE1-CZ 3.29Å |
| 653 | Q | 96.1 | Very high | 95.8 | Very high | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 173 | -174.7 | 174.5 | 1.3 | 0 | 0 | 111.6 | L649 E650 R651 E655 R656 Q657 | L649-Q653 WeakPolarHBondContact O-CB 3.14Å; L649-Q653 PolarHBondContact O-N 3.19Å; E650-Q653 PolarHBondContact O-N 2.92Å; R651-Q653 PolarHBondContact O-N 3.34Å; Q653-E655 PolarHBondContact O-N 2.88Å; Q653-R656 PolarHBondContact O-N 3.37Å; Q653-Q657 WeakPolarHBondContact O-CG 3.48Å; Q653-Q657 PolarHBondContact O-N 3.44Å |
| 654 | R | 93.8 | Very high | 95.8 | Very high | 130 Ų | 130 | 99.4 Ų | 99.4 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 174.1 | -71.5 | -171.7 | -173.8 | 96.7 | 2.7 | 112.7 | E650 R651 Q657 A658 | E650-R654 VanDerWaalsContact CD-CZ 3.46Å; E650-R654 WeakPolarHBondContact O-CG 3.29Å; E650-R654 PolarHBondContact O-N 3.3Å; E650-R654 IonicContact OE1-CZ 3.67Å; E650-R654 IonicContact OE1-NH1 2.97Å; E650-R654 PolarHBondContact OE1-NH1 2.93Å; E650-R654 IonicContact OE1-NH2 3.9Å; E650-R654 PolarHBondContact OE1-NH2 2.87Å; E650-R654 IonicContact OE2-CZ 2.75Å; E650-R654 IonicContact OE2-NH1 2.78Å; E650-R654 PolarHBondContact OE2-NH1 3.13Å; E650-R654 IonicContact OE2-NH2 3.16Å; E650-R654 PolarHBondContact OE2-NH2 3.45Å; R651-R654 PolarHBondContact O-N 3.46Å; R651-R654 VanDerWaalsContact O-N 3.09Å; R654-Q657 PolarHBondContact O-N 2.86Å; R654-A658 WeakPolarHBondContact O-CB 3.38Å; R654-A658 PolarHBondContact O-N 3.47Å |
| 655 | E | 95.9 | Very high | 95.9 | Very high | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.6 | -72.4 | 160.4 | -166.9 | 0 | 0 | 111.4 | R651 Q653 A658 L659 | R651-E655 WeakPolarHBondContact O-CG 3.35Å; R651-E655 PolarHBondContact O-N 2.84Å; Q653-E655 PolarHBondContact O-N 2.88Å; E655-A658 PolarHBondContact O-N 2.9Å; E655-L659 WeakPolarHBondContact O-CG 3.39Å; E655-L659 PolarHBondContact O-N 3.39Å |
| 656 | R | 96.3 | Very high | 96 | Very high | 158 Ų | 158 | 105.3 Ų | 105.3 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | 173.4 | -73.8 | 173.9 | -178.1 | 146.1 | 8.6 | 112.8 | Q652 Q653 N660 | Q652-R656 VanDerWaalsContact CD-NH2 3.26Å; Q652-R656 WeakPolarHBondContact O-CG 3.4Å; Q652-R656 PolarHBondContact O-N 2.89Å; Q652-R656 VanDerWaalsContact OE1-CZ 3.29Å; Q653-R656 PolarHBondContact O-N 3.37Å; R656-N660 PolarHBondContact O-N 2.93Å |
| 657 | Q | 93 | Very high | 96.1 | Very high | 93 Ų | 93 | 105.3 Ų | 105.3 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.3 | -74.3 | 171.3 | -31.9 | 0 | 0 | 111.5 | Q653 R654 N660 F661 | Q653-Q657 WeakPolarHBondContact O-CG 3.48Å; Q653-Q657 PolarHBondContact O-N 3.44Å; R654-Q657 PolarHBondContact O-N 2.86Å; Q657-N660 PolarHBondContact O-N 3.42Å; Q657-F661 HydrophobicContact CB-CE2 4.32Å; Q657-F661 WeakPolarHBondContact O-CD2 3.47Å; Q657-F661 WeakPolarHBondContact O-CG 3.18Å; Q657-F661 PolarHBondContact O-N 3.46Å |
| 658 | A | 96.1 | Very high | 96.1 | Very high | 45 Ų | 45 | 110.5 Ų | 110.5 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R654 E655 N660 F661 D662 | R654-A658 WeakPolarHBondContact O-CB 3.38Å; R654-A658 PolarHBondContact O-N 3.47Å; E655-A658 PolarHBondContact O-N 2.9Å; A658-N660 VanDerWaalsContact C-N 3.28Å; A658-N660 PolarHBondContact O-N 3.3Å; A658-F661 PolarHBondContact O-N 2.78Å; A658-D662 PolarHBondContact O-N 3.46Å |
| 659 | L | 96.9 | Very high | 96.2 | Very high | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -33.7 | 176.1 | -71.5 | 171.2 | 0 | 0 | 0 | 113.1 | E655 Q663 | E655-L659 WeakPolarHBondContact O-CG 3.39Å; E655-L659 PolarHBondContact O-N 3.39Å; L659-Q663 WeakPolarHBondContact O-CG 3.3Å; L659-Q663 PolarHBondContact O-N 2.83Å; L659-Q663 VanDerWaalsContact O-N 3.11Å; L659-Q663 PolarHBondContact O-NE2 2.91Å |
| 660 | N | 97.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 107.3 Ų | 107.3 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -46.9 | 173.4 | -172.3 | 63.4 | 0 | 0 | 0 | 111.5 | R656 Q657 A658 D662 Q663 E664 | R656-N660 PolarHBondContact O-N 2.93Å; Q657-N660 PolarHBondContact O-N 3.42Å; A658-N660 VanDerWaalsContact C-N 3.28Å; A658-N660 PolarHBondContact O-N 3.3Å; N660-D662 PolarHBondContact O-N 2.85Å; N660-Q663 PolarHBondContact O-N 3.31Å; N660-E664 PolarHBondContact ND2-OE1 2.9Å; N660-E664 WeakPolarHBondContact O-CG 3.35Å; N660-E664 PolarHBondContact O-N 2.9Å |
| 661 | F | 96.2 | Very high | 96.3 | Very high | 107 Ų | 107 | 107.7 Ų | 107.7 | 47% | 0.469 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -30.5 | 174.6 | -67.7 | -51.9 | 0 | 0 | 0 | 112.8 | Q657 A658 R665 | Q657-F661 HydrophobicContact CB-CE2 4.32Å; Q657-F661 WeakPolarHBondContact O-CD2 3.47Å; Q657-F661 WeakPolarHBondContact O-CG 3.18Å; Q657-F661 PolarHBondContact O-N 3.46Å; A658-F661 PolarHBondContact O-N 2.78Å; F661-R665 WeakPolarHBondContact O-CB 3.35Å; F661-R665 VanDerWaalsContact O-CG 3.31Å; F661-R665 WeakPolarHBondContact O-CG 3.36Å; F661-R665 PolarHBondContact O-N 3.39Å |
| 662 | D | 96.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 107.8 Ų | 107.8 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 171.6 | -77.8 | -45.4 | 0 | 0 | 0 | 112.7 | A658 N660 R665 H666 | A658-D662 PolarHBondContact O-N 3.46Å; N660-D662 PolarHBondContact O-N 2.85Å; D662-R665 VanDerWaalsContact CG-NH2 3.31Å; D662-R665 WeakPolarHBondContact O-CB 3.31Å; D662-R665 PolarHBondContact O-N 3.44Å; D662-R665 IonicContact OD1-CZ 2.67Å; D662-R665 IonicContact OD1-NE 3.46Å; D662-R665 PolarHBondContact OD1-NE 3.29Å; D662-R665 IonicContact OD1-NH2 3.52Å; D662-R665 PolarHBondContact OD1-NH2 2.76Å; D662-R665 IonicContact OD2-NH2 3.41Å; D662-H666 PolarHBondContact O-N 3Å; D662-H666 PolarHBondContact O-ND1 3.17Å |
| 663 | Q | 97.1 | Very high | 96.5 | Very high | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 174.2 | -70.9 | 167.9 | 40.3 | 0 | 0 | 111.7 | L659 N660 H666 T667 | L659-Q663 WeakPolarHBondContact O-CG 3.3Å; L659-Q663 PolarHBondContact O-N 2.83Å; L659-Q663 VanDerWaalsContact O-N 3.11Å; L659-Q663 PolarHBondContact O-NE2 2.91Å; N660-Q663 PolarHBondContact O-N 3.31Å; Q663-H666 PolarHBondContact O-N 3.15Å; Q663-T667 WeakPolarHBondContact O-CB 3.32Å; Q663-T667 PolarHBondContact O-N 3.49Å; Q663-T667 PolarHBondContact O-OG1 2.87Å |
| 664 | E | 97.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 108.5 Ų | 108.5 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 171.1 | -71.5 | 173.7 | -164.8 | 0 | 0 | 111.3 | N660 H666 T667 W668 | N660-E664 PolarHBondContact ND2-OE1 2.9Å; N660-E664 WeakPolarHBondContact O-CG 3.35Å; N660-E664 PolarHBondContact O-N 2.9Å; E664-H666 PolarHBondContact O-N 3.28Å; E664-T667 PolarHBondContact O-N 2.9Å; E664-W668 PolarHBondContact O-N 2.89Å |
| 665 | R | 96.9 | Very high | 96.9 | Very high | 143 Ų | 143 | 106 Ų | 106 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.6 | -46.9 | 175.7 | -85.6 | -172 | -81.2 | -98.9 | 8.6 | 112.5 | F661 D662 W668 Q669 | F661-R665 WeakPolarHBondContact O-CB 3.35Å; F661-R665 VanDerWaalsContact O-CG 3.31Å; F661-R665 WeakPolarHBondContact O-CG 3.36Å; F661-R665 PolarHBondContact O-N 3.39Å; D662-R665 VanDerWaalsContact CG-NH2 3.31Å; D662-R665 WeakPolarHBondContact O-CB 3.31Å; D662-R665 PolarHBondContact O-N 3.44Å; D662-R665 IonicContact OD1-CZ 2.67Å; D662-R665 IonicContact OD1-NE 3.46Å; D662-R665 PolarHBondContact OD1-NE 3.29Å; D662-R665 IonicContact OD1-NH2 3.52Å; D662-R665 PolarHBondContact OD1-NH2 2.76Å; D662-R665 IonicContact OD2-NH2 3.41Å; R665-W668 PolarHBondContact O-N 2.74Å; R665-Q669 WeakPolarHBondContact O-CB 3.36Å; R665-Q669 PolarHBondContact O-N 2.78Å |
| 666 | H | 97.4 | Very high | 97 | Very high | 120 Ų | 120 | 104.8 Ų | 104.8 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 177.2 | -73.3 | 80.3 | 0 | 0 | 0 | 111.3 | D662 Q663 E664 W668 Q669 D670 | D662-H666 PolarHBondContact O-N 3Å; D662-H666 PolarHBondContact O-ND1 3.17Å; Q663-H666 PolarHBondContact O-N 3.15Å; E664-H666 PolarHBondContact O-N 3.28Å; H666-W668 VanDerWaalsContact C-N 3.34Å; H666-W668 PolarHBondContact O-N 3.47Å; H666-Q669 PolarHBondContact O-N 3.3Å; H666-Q669 VanDerWaalsContact O-N 3.13Å; H666-D670 WeakPolarHBondContact O-CB 3.5Å; H666-D670 PolarHBondContact O-N 2.86Å |
| 667 | T | 97.3 | Very high | 97 | Very high | 92 Ų | 92 | 103.4 Ų | 103.4 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 178.4 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | Q663 E664 D670 E671 | Q663-T667 WeakPolarHBondContact O-CB 3.32Å; Q663-T667 PolarHBondContact O-N 3.49Å; Q663-T667 PolarHBondContact O-OG1 2.87Å; E664-T667 PolarHBondContact O-N 2.9Å; T667-D670 WeakPolarHBondContact O-CB 3.38Å; T667-E671 PolarHBondContact O-N 3.21Å |
| 668 | W | 97.3 | Very high | 97.2 | Very high | 190 Ų | 190 | 106 Ų | 106 | 72% | 0.72 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.6 | -33.4 | 174.5 | -80.3 | 114 | 0 | 0 | 0 | 113.4 | E664 R665 H666 K672 | E664-W668 PolarHBondContact O-N 2.89Å; R665-W668 PolarHBondContact O-N 2.74Å; H666-W668 VanDerWaalsContact C-N 3.34Å; H666-W668 PolarHBondContact O-N 3.47Å; W668-K672 VanDerWaalsContact O-CB 3.22Å; W668-K672 WeakPolarHBondContact O-CB 3.4Å; W668-K672 PolarHBondContact O-N 3.24Å |
| 669 | Q | 96.4 | Very high | 97.3 | Very high | 116 Ų | 116 | 108.6 Ų | 108.6 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 175.1 | -172.8 | 173.5 | -78.3 | 0 | 0 | 111.5 | R665 H666 E671 K672 E673 | R665-Q669 WeakPolarHBondContact O-CB 3.36Å; R665-Q669 PolarHBondContact O-N 2.78Å; H666-Q669 PolarHBondContact O-N 3.3Å; H666-Q669 VanDerWaalsContact O-N 3.13Å; Q669-E671 PolarHBondContact O-N 3.07Å; Q669-K672 WeakPolarHBondContact O-CB 3.46Å; Q669-K672 PolarHBondContact O-N 3.24Å; Q669-E673 PolarHBondContact O-N 3.39Å |
| 670 | D | 97.5 | Very high | 97.3 | Very high | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 173 | -101 | 30.3 | 0 | 0 | 0 | 112 | H666 T667 E673 R674 | H666-D670 WeakPolarHBondContact O-CB 3.5Å; H666-D670 PolarHBondContact O-N 2.86Å; T667-D670 WeakPolarHBondContact O-CB 3.38Å; D670-E673 WeakPolarHBondContact O-CB 3.25Å; D670-E673 PolarHBondContact O-N 2.99Å; D670-R674 WeakPolarHBondContact O-CG 3.17Å; D670-R674 PolarHBondContact O-N 3.3Å; D670-R674 IonicContact OD2-NH2 3.2Å; D670-R674 PolarHBondContact OD2-NH2 2.92Å |
| 671 | E | 97.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 108.7 Ų | 108.7 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | -179.5 | -168 | 55.6 | -148 | 0 | 0 | 111.9 | T667 Q669 E673 R674 V675 | T667-E671 PolarHBondContact O-N 3.21Å; Q669-E671 PolarHBondContact O-N 3.07Å; E671-E673 VanDerWaalsContact C-N 3.26Å; E671-E673 PolarHBondContact O-N 3.19Å; E671-R674 PolarHBondContact O-N 2.82Å; E671-R674 VanDerWaalsContact O-N 3.12Å; E671-R674 WeakPolarHBondContact OE2-CD 3.39Å; E671-R674 IonicContact OE2-CZ 2.71Å; E671-R674 IonicContact OE2-NE 2.7Å; E671-R674 IonicContact OE2-NH1 3.4Å; E671-R674 PolarHBondContact OE2-NH1 3.36Å; E671-V675 WeakPolarHBondContact O-CG2 3.42Å; E671-V675 PolarHBondContact O-N 2.86Å |
| 672 | K | 97.6 | Very high | 97.4 | Very high | 141 Ų | 141 | 108.2 Ų | 108.2 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -55.8 | -42.2 | 169.1 | 177.3 | -174.4 | 175.7 | -174 | 0 | 111.2 | W668 Q669 L676 | W668-K672 VanDerWaalsContact O-CB 3.22Å; W668-K672 WeakPolarHBondContact O-CB 3.4Å; W668-K672 PolarHBondContact O-N 3.24Å; Q669-K672 WeakPolarHBondContact O-CB 3.46Å; Q669-K672 PolarHBondContact O-N 3.24Å; K672-L676 HydrophobicContact CG-CD1 4.11Å; K672-L676 WeakPolarHBondContact O-CB 3.48Å; K672-L676 VanDerWaalsContact O-CG 3.27Å; K672-L676 WeakPolarHBondContact O-CG 3.23Å; K672-L676 PolarHBondContact O-N 3.35Å |
| 673 | E | 97.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 110.8 Ų | 110.8 | 41% | 0.407 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 174.4 | -83.2 | -161.7 | -149.1 | 0 | 0 | 113.1 | Q669 D670 E671 L676 K677 | Q669-E673 PolarHBondContact O-N 3.39Å; D670-E673 WeakPolarHBondContact O-CB 3.25Å; D670-E673 PolarHBondContact O-N 2.99Å; E671-E673 VanDerWaalsContact C-N 3.26Å; E671-E673 PolarHBondContact O-N 3.19Å; E673-L676 PolarHBondContact O-N 2.86Å; E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 VanDerWaalsContact O-CD 3.31Å; E673-K677 WeakPolarHBondContact O-CD 3.49Å; E673-K677 WeakPolarHBondContact O-CG 3.32Å; E673-K677 PolarHBondContact O-N 3.43Å; E673-K677 WeakPolarHBondContact OE2-CE 3.5Å; E673-K677 IonicContact OE2-NZ 3.4Å; E673-K677 PolarHBondContact OE2-NZ 3.21Å |
| 674 | R | 98.3 | Very high | 97.5 | Very high | 124 Ų | 124 | 110 Ų | 110 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.1 | -68.4 | -176.2 | -158.7 | 90.7 | 17.4 | 111.4 | D670 E671 K677 Y678 | D670-R674 WeakPolarHBondContact O-CG 3.17Å; D670-R674 PolarHBondContact O-N 3.3Å; D670-R674 IonicContact OD2-NH2 3.2Å; D670-R674 PolarHBondContact OD2-NH2 2.92Å; E671-R674 PolarHBondContact O-N 2.82Å; E671-R674 VanDerWaalsContact O-N 3.12Å; E671-R674 WeakPolarHBondContact OE2-CD 3.39Å; E671-R674 IonicContact OE2-CZ 2.71Å; E671-R674 IonicContact OE2-NE 2.7Å; E671-R674 IonicContact OE2-NH1 3.4Å; E671-R674 PolarHBondContact OE2-NH1 3.36Å; R674-K677 PolarHBondContact O-N 2.89Å; R674-Y678 WeakPolarHBondContact O-CB 3.5Å; R674-Y678 PolarHBondContact O-N 3.46Å |
| 675 | V | 98.1 | Very high | 97.4 | Very high | 76 Ų | 76 | 109 Ų | 109 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | E671 Y678 Q679 | E671-V675 WeakPolarHBondContact O-CG2 3.42Å; E671-V675 PolarHBondContact O-N 2.86Å; V675-Y678 PolarHBondContact O-N 3.29Å; V675-Q679 VanDerWaalsContact O-CB 3.27Å; V675-Q679 WeakPolarHBondContact O-CB 3.29Å; V675-Q679 PolarHBondContact O-N 2.99Å |
| 676 | L | 98.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 109.9 Ų | 109.9 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.7 | -74 | 169.3 | 0 | 0 | 0 | 112.4 | K672 E673 Q679 A680 | K672-L676 HydrophobicContact CG-CD1 4.11Å; K672-L676 WeakPolarHBondContact O-CB 3.48Å; K672-L676 VanDerWaalsContact O-CG 3.27Å; K672-L676 WeakPolarHBondContact O-CG 3.23Å; K672-L676 PolarHBondContact O-N 3.35Å; E673-L676 PolarHBondContact O-N 2.86Å; L676-Q679 PolarHBondContact O-N 2.69Å; L676-A680 WeakPolarHBondContact O-CB 3.41Å; L676-A680 PolarHBondContact O-N 2.73Å |
| 677 | K | 97.7 | Very high | 97.5 | Very high | 128 Ų | 128 | 107.5 Ų | 107.5 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 177.3 | -70.6 | 162 | -168.1 | 169 | 0 | 111.4 | E673 R674 Q681 | E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 VanDerWaalsContact O-CD 3.31Å; E673-K677 WeakPolarHBondContact O-CD 3.49Å; E673-K677 WeakPolarHBondContact O-CG 3.32Å; E673-K677 PolarHBondContact O-N 3.43Å; E673-K677 WeakPolarHBondContact OE2-CE 3.5Å; E673-K677 IonicContact OE2-NZ 3.4Å; E673-K677 PolarHBondContact OE2-NZ 3.21Å; R674-K677 PolarHBondContact O-N 2.89Å; K677-Q681 WeakPolarHBondContact O-CB 3.32Å; K677-Q681 PolarHBondContact O-N 3.12Å |
| 678 | Y | 97.6 | Very high | 97.5 | Very high | 147 Ų | 147 | 107 Ų | 107 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 175 | 177.4 | -106.7 | 0 | 0 | 0 | 112.4 | R674 V675 A680 Q681 L682 | R674-Y678 WeakPolarHBondContact O-CB 3.5Å; R674-Y678 PolarHBondContact O-N 3.46Å; V675-Y678 PolarHBondContact O-N 3.29Å; Y678-A680 PolarHBondContact O-N 3.4Å; Y678-Q681 PolarHBondContact O-N 2.84Å; Y678-L682 WeakPolarHBondContact O-CB 3.34Å; Y678-L682 PolarHBondContact O-N 3.41Å |
| 679 | Q | 96.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.2 | -169.8 | 174.4 | 20.3 | 0 | 0 | 111.7 | V675 L676 L682 Q683 | V675-Q679 VanDerWaalsContact O-CB 3.27Å; V675-Q679 WeakPolarHBondContact O-CB 3.29Å; V675-Q679 PolarHBondContact O-N 2.99Å; L676-Q679 PolarHBondContact O-N 2.69Å; Q679-L682 PolarHBondContact O-N 3.45Å; Q679-Q683 WeakPolarHBondContact O-CG 3.19Å; Q679-Q683 PolarHBondContact O-N 3.01Å |
| 680 | A | 97.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L676 Y678 L682 Q683 L684 | L676-A680 WeakPolarHBondContact O-CB 3.41Å; L676-A680 PolarHBondContact O-N 2.73Å; Y678-A680 PolarHBondContact O-N 3.4Å; A680-L682 VanDerWaalsContact C-N 3.34Å; A680-L682 PolarHBondContact O-N 2.87Å; A680-Q683 PolarHBondContact O-N 3.43Å; A680-L684 PolarHBondContact O-N 3.14Å |
| 681 | Q | 97.7 | Very high | 97.5 | Very high | 134 Ų | 134 | 100.8 Ų | 100.8 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 174.5 | -171.8 | -179.5 | 13.8 | 0 | 0 | 112.1 | K677 Y678 L684 S685 | K677-Q681 WeakPolarHBondContact O-CB 3.32Å; K677-Q681 PolarHBondContact O-N 3.12Å; Y678-Q681 PolarHBondContact O-N 2.84Å; Q681-L684 PolarHBondContact O-N 3.4Å; Q681-S685 WeakPolarHBondContact O-CB 3.47Å; Q681-S685 PolarHBondContact O-N 2.91Å |
| 682 | L | 97.8 | Very high | 97.5 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 177.3 | -174.7 | 63.4 | 0 | 0 | 0 | 111.7 | Y678 Q679 A680 S685 Y686 | Y678-L682 WeakPolarHBondContact O-CB 3.34Å; Y678-L682 PolarHBondContact O-N 3.41Å; Q679-L682 PolarHBondContact O-N 3.45Å; A680-L682 VanDerWaalsContact C-N 3.34Å; A680-L682 PolarHBondContact O-N 2.87Å; L682-S685 PolarHBondContact O-N 2.98Å; L682-Y686 WeakPolarHBondContact O-CB 3.42Å; L682-Y686 PolarHBondContact O-N 2.94Å |
| 683 | Q | 97.3 | Very high | 97.4 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 172.5 | -74.8 | 171.2 | -11.9 | 0 | 0 | 111.8 | Q679 A680 Y686 V687 | Q679-Q683 WeakPolarHBondContact O-CG 3.19Å; Q679-Q683 PolarHBondContact O-N 3.01Å; A680-Q683 PolarHBondContact O-N 3.43Å; Q683-Y686 PolarHBondContact O-N 2.87Å; Q683-V687 WeakPolarHBondContact O-CG2 3.4Å; Q683-V687 PolarHBondContact O-N 3.36Å |
| 684 | L | 97.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 98.7 Ų | 98.7 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -46.7 | 176.7 | -178.2 | 62 | 0 | 0 | 0 | 111.7 | A680 Q681 Y686 V687 E688 | A680-L684 PolarHBondContact O-N 3.14Å; Q681-L684 PolarHBondContact O-N 3.4Å; L684-Y686 VanDerWaalsContact C-N 3.32Å; L684-Y686 PolarHBondContact O-N 3.27Å; L684-V687 PolarHBondContact O-N 3.43Å; L684-E688 WeakPolarHBondContact O-CB 3.48Å; L684-E688 PolarHBondContact O-N 3.49Å |
| 685 | S | 96.8 | Very high | 97.2 | Very high | 62 Ų | 62 | 94.8 Ų | 94.8 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 176.6 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | Q681 L682 T689 | Q681-S685 WeakPolarHBondContact O-CB 3.47Å; Q681-S685 PolarHBondContact O-N 2.91Å; L682-S685 PolarHBondContact O-N 2.98Å; S685-T689 WeakPolarHBondContact O-CB 3.39Å; S685-T689 PolarHBondContact O-N 3.07Å; S685-T689 PolarHBondContact O-OG1 3.33Å |
| 686 | Y | 97.9 | Very high | 97 | Very high | 161 Ų | 161 | 95.7 Ų | 95.7 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.1 | -47.5 | 174.6 | 179.8 | -97.9 | 0 | 0 | 0 | 111.9 | L682 Q683 L684 T689 L690 | L682-Y686 WeakPolarHBondContact O-CB 3.42Å; L682-Y686 PolarHBondContact O-N 2.94Å; Q683-Y686 PolarHBondContact O-N 2.87Å; L684-Y686 VanDerWaalsContact C-N 3.32Å; L684-Y686 PolarHBondContact O-N 3.27Å; Y686-T689 PolarHBondContact O-N 2.88Å; Y686-L690 WeakPolarHBondContact O-CB 3.31Å; Y686-L690 PolarHBondContact O-N 3.44Å |
| 687 | V | 98 | Very high | 96.7 | Very high | 69 Ų | 69 | 96.9 Ų | 96.9 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | Q683 L684 T689 L690 Q691 | Q683-V687 WeakPolarHBondContact O-CG2 3.4Å; Q683-V687 PolarHBondContact O-N 3.36Å; L684-V687 PolarHBondContact O-N 3.43Å; V687-T689 VanDerWaalsContact C-N 3.31Å; V687-T689 PolarHBondContact O-N 2.94Å; V687-L690 PolarHBondContact O-N 2.93Å; V687-Q691 WeakPolarHBondContact O-CG 3.42Å; V687-Q691 PolarHBondContact O-N 2.84Å |
| 688 | E | 97.3 | Very high | 96.5 | Very high | 83 Ų | 83 | 96.9 Ų | 96.9 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 172.8 | -84.4 | -167.6 | -142.5 | 0 | 0 | 112.3 | L684 Q691 K692 | L684-E688 WeakPolarHBondContact O-CB 3.48Å; L684-E688 PolarHBondContact O-N 3.49Å; E688-Q691 PolarHBondContact O-N 2.62Å; E688-K692 WeakPolarHBondContact O-CB 3.49Å; E688-K692 VanDerWaalsContact O-CD 3.29Å; E688-K692 WeakPolarHBondContact O-CD 3.44Å; E688-K692 WeakPolarHBondContact O-CG 3.44Å; E688-K692 PolarHBondContact O-N 3.26Å; E688-K692 IonicContact OE2-NZ 2.71Å; E688-K692 PolarHBondContact OE2-NZ 2.8Å |
| 689 | T | 97.4 | Very high | 96.3 | Very high | 63 Ų | 63 | 97.4 Ų | 97.4 | 39% | 0.387 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | -179 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | S685 Y686 V687 K692 N693 | S685-T689 WeakPolarHBondContact O-CB 3.39Å; S685-T689 PolarHBondContact O-N 3.07Å; S685-T689 PolarHBondContact O-OG1 3.33Å; Y686-T689 PolarHBondContact O-N 2.88Å; V687-T689 VanDerWaalsContact C-N 3.31Å; V687-T689 PolarHBondContact O-N 2.94Å; T689-K692 PolarHBondContact O-N 2.63Å; T689-N693 PolarHBondContact O-N 2.82Å |
| 690 | L | 97.3 | Very high | 95.8 | Very high | 74 Ų | 74 | 99 Ų | 99 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173 | -175.9 | 63.4 | 0 | 0 | 0 | 111.7 | Y686 V687 K692 N693 Q694 | Y686-L690 WeakPolarHBondContact O-CB 3.31Å; Y686-L690 PolarHBondContact O-N 3.44Å; V687-L690 PolarHBondContact O-N 2.93Å; L690-K692 PolarHBondContact O-N 3.5Å; L690-N693 PolarHBondContact O-N 2.87Å; L690-Q694 WeakPolarHBondContact O-CG 3.27Å; L690-Q694 PolarHBondContact O-N 2.8Å |
| 691 | Q | 97 | Very high | 95.2 | Very high | 121 Ų | 121 | 100.1 Ų | 100.1 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 174.9 | -71.4 | 176 | 11.5 | 0 | 0 | 112.3 | V687 E688 Q694 A695 | V687-Q691 WeakPolarHBondContact O-CG 3.42Å; V687-Q691 PolarHBondContact O-N 2.84Å; E688-Q691 PolarHBondContact O-N 2.62Å; Q691-Q694 PolarHBondContact O-N 2.78Å; Q691-A695 WeakPolarHBondContact O-CB 3.42Å; Q691-A695 PolarHBondContact O-N 3.35Å |
| 692 | K | 96.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 174.9 | -70.5 | 158.9 | -163.4 | 168.4 | 0 | 111 | E688 T689 L690 A695 L696 | E688-K692 WeakPolarHBondContact O-CB 3.49Å; E688-K692 VanDerWaalsContact O-CD 3.29Å; E688-K692 WeakPolarHBondContact O-CD 3.44Å; E688-K692 WeakPolarHBondContact O-CG 3.44Å; E688-K692 PolarHBondContact O-N 3.26Å; E688-K692 IonicContact OE2-NZ 2.71Å; E688-K692 PolarHBondContact OE2-NZ 2.8Å; T689-K692 PolarHBondContact O-N 2.63Å; L690-K692 PolarHBondContact O-N 3.5Å; K692-A695 PolarHBondContact O-N 2.84Å; K692-L696 WeakPolarHBondContact O-CG 3.39Å; K692-L696 PolarHBondContact O-N 3.2Å |
| 693 | N | 95.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 175.4 | -72.6 | -11.8 | 0 | 0 | 0 | 112 | T689 L690 A695 L696 E697 | T689-N693 PolarHBondContact O-N 2.82Å; L690-N693 PolarHBondContact O-N 2.87Å; N693-A695 PolarHBondContact O-N 2.89Å; N693-L696 CarbonylContact O-C 3.44Å; N693-L696 WeakPolarHBondContact O-CA 3.25Å; N693-L696 WeakPolarHBondContact O-CB 3.47Å; N693-L696 PolarHBondContact O-N 3.42Å; N693-E697 WeakPolarHBondContact O-CG 3.24Å; N693-E697 PolarHBondContact O-N 3.43Å |
| 694 | Q | 96.3 | Very high | 92.6 | Very high | 79 Ų | 79 | 95.3 Ų | 95.3 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -33.4 | 175.3 | -71.1 | 178 | 5.8 | 0 | 0 | 113 | L690 Q691 K698 | L690-Q694 WeakPolarHBondContact O-CG 3.27Å; L690-Q694 PolarHBondContact O-N 2.8Å; Q691-Q694 PolarHBondContact O-N 2.78Å; Q694-K698 WeakPolarHBondContact O-CB 3.43Å; Q694-K698 WeakPolarHBondContact O-CD 3.48Å; Q694-K698 VanDerWaalsContact O-CG 3.23Å; Q694-K698 WeakPolarHBondContact O-CG 3.49Å; Q694-K698 PolarHBondContact O-N 3.07Å |
| 695 | A | 95.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 94.5 Ų | 94.5 | 35% | 0.347 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q691 K692 N693 R699 | Q691-A695 WeakPolarHBondContact O-CB 3.42Å; Q691-A695 PolarHBondContact O-N 3.35Å; K692-A695 PolarHBondContact O-N 2.84Å; N693-A695 PolarHBondContact O-N 2.89Å; A695-R699 WeakPolarHBondContact O-CD 3.39Å; A695-R699 VanDerWaalsContact O-CG 3.28Å; A695-R699 WeakPolarHBondContact O-CG 3.46Å; A695-R699 PolarHBondContact O-N 3.24Å |
| 696 | L | 93.7 | Very high | 89 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.1 | -43.8 | 172.5 | -69.7 | 170.8 | 0 | 0 | 0 | 111.5 | K692 N693 K698 R699 M700 | K692-L696 WeakPolarHBondContact O-CG 3.39Å; K692-L696 PolarHBondContact O-N 3.2Å; N693-L696 CarbonylContact O-C 3.44Å; N693-L696 WeakPolarHBondContact O-CA 3.25Å; N693-L696 WeakPolarHBondContact O-CB 3.47Å; N693-L696 PolarHBondContact O-N 3.42Å; L696-K698 PolarHBondContact O-N 2.86Å; L696-R699 CarbonylContact O-C 3.55Å; L696-R699 WeakPolarHBondContact O-CB 3.44Å; L696-R699 PolarHBondContact O-N 3.29Å; L696-R699 VanDerWaalsContact O-N 3.11Å; L696-M700 WeakPolarHBondContact O-CG 3.27Å; L696-M700 PolarHBondContact O-N 2.87Å |
| 697 | E | 93.2 | Very high | 86.9 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.2 | -50.8 | 173.5 | -72.6 | 162.1 | -169.2 | 0 | 0 | 111 | N693 R699 M700 S701 | N693-E697 WeakPolarHBondContact O-CG 3.24Å; N693-E697 PolarHBondContact O-N 3.43Å; E697-R699 VanDerWaalsContact C-N 3.26Å; E697-R699 PolarHBondContact O-N 2.86Å; E697-M700 WeakPolarHBondContact O-CA 3.22Å; E697-M700 WeakPolarHBondContact O-CB 3.3Å; E697-M700 PolarHBondContact O-N 2.88Å; E697-S701 PolarHBondContact O-N 3.4Å; E697-S701 PolarHBondContact O-OG 2.83Å |
| 698 | K | 93.8 | Very high | 84.6 | Confident | 128 Ų | 128 | 99.4 Ų | 99.4 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.5 | -37 | 176 | -73.8 | 165.4 | -175.4 | 169.4 | 0 | 112.7 | Q694 L696 Q702 | Q694-K698 WeakPolarHBondContact O-CB 3.43Å; Q694-K698 WeakPolarHBondContact O-CD 3.48Å; Q694-K698 VanDerWaalsContact O-CG 3.23Å; Q694-K698 WeakPolarHBondContact O-CG 3.49Å; Q694-K698 PolarHBondContact O-N 3.07Å; L696-K698 PolarHBondContact O-N 2.86Å; K698-Q702 WeakPolarHBondContact O-CG 3.23Å; K698-Q702 PolarHBondContact O-N 3.08Å; K698-Q702 VanDerWaalsContact O-N 3.13Å |
| 699 | R | 93 | Very high | 82.3 | Confident | 159 Ų | 159 | 100.8 Ų | 100.8 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71 | -39.5 | 174.3 | -72 | 168.8 | -179.1 | 179 | 1.6 | 112.1 | A695 L696 E697 Q702 L703 | A695-R699 WeakPolarHBondContact O-CD 3.39Å; A695-R699 VanDerWaalsContact O-CG 3.28Å; A695-R699 WeakPolarHBondContact O-CG 3.46Å; A695-R699 PolarHBondContact O-N 3.24Å; L696-R699 CarbonylContact O-C 3.55Å; L696-R699 WeakPolarHBondContact O-CB 3.44Å; L696-R699 PolarHBondContact O-N 3.29Å; L696-R699 VanDerWaalsContact O-N 3.11Å; E697-R699 VanDerWaalsContact C-N 3.26Å; E697-R699 PolarHBondContact O-N 2.86Å; R699-Q702 PolarHBondContact O-N 3.46Å; R699-L703 WeakPolarHBondContact O-CG 3.43Å; R699-L703 PolarHBondContact O-N 3.36Å |
| 700 | M | 86.6 | Confident | 80.1 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 175 | -72.9 | -64.7 | -68.4 | 0 | 0 | 111.3 | L696 E697 Q702 L703 G704 | L696-M700 WeakPolarHBondContact O-CG 3.27Å; L696-M700 PolarHBondContact O-N 2.87Å; E697-M700 WeakPolarHBondContact O-CA 3.22Å; E697-M700 WeakPolarHBondContact O-CB 3.3Å; E697-M700 PolarHBondContact O-N 2.88Å; M700-Q702 PolarHBondContact O-N 3.36Å; M700-L703 PolarHBondContact O-N 2.92Å; M700-G704 PolarHBondContact O-N 2.85Å |
| 701 | S | 84.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 104.9 Ų | 104.9 | 54% | 0.538 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.2 | -45.5 | 173.8 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | E697 L703 G704 T705 | E697-S701 PolarHBondContact O-N 3.4Å; E697-S701 PolarHBondContact O-OG 2.83Å; S701-L703 VanDerWaalsContact C-N 3.28Å; S701-L703 PolarHBondContact O-N 2.8Å; S701-G704 PolarHBondContact O-N 3.19Å; S701-T705 PolarHBondContact O-N 2.84Å; S701-T705 PolarHBondContact O-OG1 2.78Å; S701-T705 VanDerWaalsContact O-OG1 3.11Å |
| 702 | Q | 85.4 | Confident | 75.1 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -29.2 | 177.2 | -74.1 | 171.1 | 18.1 | 0 | 0 | 113.8 | K698 R699 M700 T705 K706 | K698-Q702 WeakPolarHBondContact O-CG 3.23Å; K698-Q702 PolarHBondContact O-N 3.08Å; K698-Q702 VanDerWaalsContact O-N 3.13Å; R699-Q702 PolarHBondContact O-N 3.46Å; M700-Q702 PolarHBondContact O-N 3.36Å; Q702-T705 PolarHBondContact O-OG1 3.3Å; Q702-K706 WeakPolarHBondContact O-CD 3.32Å; Q702-K706 VanDerWaalsContact O-CG 3.26Å; Q702-K706 WeakPolarHBondContact O-CG 3.48Å |
| 703 | L | 80.1 | Confident | 72.6 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -79.6 | -41.1 | 174 | -71.5 | 170.7 | 0 | 0 | 0 | 111.5 | R699 M700 S701 K706 Q707 | R699-L703 WeakPolarHBondContact O-CG 3.43Å; R699-L703 PolarHBondContact O-N 3.36Å; M700-L703 PolarHBondContact O-N 2.92Å; S701-L703 VanDerWaalsContact C-N 3.28Å; S701-L703 PolarHBondContact O-N 2.8Å; L703-K706 WeakPolarHBondContact O-CB 3.44Å; L703-K706 PolarHBondContact O-N 3.47Å; L703-K706 VanDerWaalsContact O-N 3.12Å; L703-Q707 PolarHBondContact O-N 3.29Å |
| 704 | G | 71.4 | Confident | 70 | Confident | 30 Ų | 30 | 107.9 Ų | 107.9 | 31% | 0.309 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.6 | -49.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | M700 S701 K706 Q707 T708 | M700-G704 PolarHBondContact O-N 2.85Å; S701-G704 PolarHBondContact O-N 3.19Å; G704-K706 PolarHBondContact O-N 3.14Å; G704-Q707 PolarHBondContact O-N 3.25Å; G704-T708 PolarHBondContact O-N 3.04Å; G704-T708 PolarHBondContact O-OG1 3.42Å; G704-T708 VanDerWaalsContact O-OG1 3.12Å |
| 705 | T | 59.8 | Low | 67.2 | Low | 89 Ų | 89 | 110.4 Ų | 110.4 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.8 | -28.8 | 176.3 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | S701 Q702 T709 | S701-T705 PolarHBondContact O-N 2.84Å; S701-T705 PolarHBondContact O-OG1 2.78Å; S701-T705 VanDerWaalsContact O-OG1 3.11Å; Q702-T705 PolarHBondContact O-OG1 3.3Å; T705-T709 PolarHBondContact O-OG1 2.9Å; T705-T709 VanDerWaalsContact O-OG1 3.13Å |
| 706 | K | 58.8 | Low | 64.4 | Low | 139 Ų | 139 | 113.9 Ų | 113.9 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.3 | -27.5 | 175 | -75 | 174.6 | -177.7 | -178.8 | 0 | 113.1 | Q702 L703 G704 T709 | Q702-K706 WeakPolarHBondContact O-CD 3.32Å; Q702-K706 VanDerWaalsContact O-CG 3.26Å; Q702-K706 WeakPolarHBondContact O-CG 3.48Å; L703-K706 WeakPolarHBondContact O-CB 3.44Å; L703-K706 PolarHBondContact O-N 3.47Å; L703-K706 VanDerWaalsContact O-N 3.12Å; G704-K706 PolarHBondContact O-N 3.14Å; K706-T709 PolarHBondContact O-OG1 2.83Å; K706-T709 VanDerWaalsContact O-OG1 3.08Å |
| 707 | Q | 54.4 | Low | 61.6 | Low | 150 Ų | 150 | 114.8 Ų | 114.8 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.8 | -41.3 | 170.9 | -101.4 | 178.7 | -18.5 | 0 | 0 | 111.6 | L703 G704 T709 V710 | L703-Q707 PolarHBondContact O-N 3.29Å; G704-Q707 PolarHBondContact O-N 3.25Å; Q707-T709 PolarHBondContact O-N 3.12Å; Q707-V710 PolarHBondContact O-N 3.02Å |
| 708 | T | 49 | Very low | 58.8 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 64% | 0.644 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.8 | -29 | 179.2 | -46.6 | 0 | 0 | 0 | 0 | 113.1 | G704 V710 | G704-T708 PolarHBondContact O-N 3.04Å; G704-T708 PolarHBondContact O-OG1 3.42Å; G704-T708 VanDerWaalsContact O-OG1 3.12Å; T708-V710 PolarHBondContact O-N 3.13Å |
| 709 | T | 49.2 | Very low | 56 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -4.3 | -178.7 | 39.6 | 0 | 0 | 0 | 0 | 116 | T705 K706 Q707 | T705-T709 PolarHBondContact O-OG1 2.9Å; T705-T709 VanDerWaalsContact O-OG1 3.13Å; K706-T709 PolarHBondContact O-OG1 2.83Å; K706-T709 VanDerWaalsContact O-OG1 3.08Å; Q707-T709 PolarHBondContact O-N 3.12Å |
| 710 | V | 51.2 | Low | 53.1 | Low | 121 Ų | 121 | 116 Ų | 116 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -19.9 | -177.1 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | Q707 T708 T712 | Q707-V710 PolarHBondContact O-N 3.02Å; T708-V710 PolarHBondContact O-N 3.13Å; V710-T712 PolarHBondContact O-N 3.28Å |
| 711 | S | 47.4 | Very low | 50.6 | Low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -90.8 | 13.8 | -167.1 | -53.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 712 | T | 42.7 | Very low | 48.1 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | -119.1 | 57 | -170.3 | -43.6 | 0 | 0 | 0 | 0 | 113.1 | V710 | V710-T712 PolarHBondContact O-N 3.28Š| ||
| 713 | T | 42.9 | Very low | 46.6 | Very low | 123 Ų | 123 | 115.4 Ų | 115.4 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -149.1 | 148.5 | 161.6 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 714 | T | 40 | Very low | 44.4 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | trans | 75.9 | 126.6 | -173.6 | 69.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 715 | V | 39.4 | Very low | 42.6 | Very low | 132 Ų | 132 | 120 Ų | 120 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | cis | 83 | 126.6 | 30.7 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 716 | T | 34.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | cis | -163.1 | 171.2 | -7.4 | -101 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 717 | T | 35.9 | Very low | 40.1 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -30.8 | 151.8 | 175.4 | 60.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 718 | T | 34 | Very low | 39.4 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | -163.3 | 163.3 | 125.4 | 6.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 719 | T | 34.9 | Very low | 40.2 | Very low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -133.9 | 138.6 | -166.9 | -36.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 720 | T | 31.8 | Very low | 40.5 | Very low | 152 Ų | 152 | 120.3 Ų | 120.3 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | trans | -162 | 160.3 | 161.8 | 11.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 721 | A | 34.1 | Very low | 40.8 | Very low | 90 Ų | 90 | 120.1 Ų | 120.1 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -153.3 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 722 | S | 33.8 | Very low | 41.3 | Very low | 111 Ų | 111 | 121 Ų | 121 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -152 | -52.6 | 17.2 | -34.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 723 | P | 53.7 | Low | 41.5 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -113.9 | 171.1 | -139 | 43.4 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 724 | T | 34.2 | Very low | 41.1 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -159.4 | 164.1 | 28 | -31.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 725 | S | 32.3 | Very low | 40.8 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 72.1 | 144.2 | 157.8 | 67.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 726 | S | 32.9 | Very low | 40.6 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | cis | -164 | 167.2 | -13 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 727 | N | 34.9 | Very low | 40.8 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 79.8 | 153.4 | 162.7 | -61.7 | -4.6 | 0 | 0 | 0 | 120.5 | ||||
| 728 | S | 39.5 | Very low | 41 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -166.1 | -172.6 | -174.3 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 729 | P | 65.6 | Low | 41.3 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | -107.3 | -169.9 | -81 | 41.1 | -27.9 | 0 | 0 | 0 | 112 | |||||
| 730 | P | 54.4 | Low | 41.3 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -147.8 | -142.4 | 89.8 | 43.9 | -22.1 | 0 | 0 | 0 | 113.6 | |||||
| 731 | P | 57.3 | Low | 41.4 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -113.5 | 177.7 | -130.6 | 13.4 | 14.7 | 0 | 0 | 0 | 116.7 | ||||
| 732 | P | 58.3 | Low | 41.6 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -93.1 | -178.2 | -167.7 | 39.7 | -38.9 | 0 | 0 | 0 | 115.2 | ||||
| 733 | P | 47.6 | Very low | 41.9 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | -143.5 | 163.6 | 108.7 | 40 | -27.3 | 0 | 0 | 0 | 117.4 | |||||
| 734 | D | 33.8 | Very low | 40.9 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 52.8 | 99.6 | 149.1 | -60.7 | -2.2 | 0 | 0 | 0 | 122.2 | ||||
| 735 | Q | 33.5 | Very low | 41.2 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 114.3 | 153.9 | -64.7 | -179.4 | 14.2 | 0 | 0 | 110.5 | ||||
| 736 | K | 35.3 | Very low | 41.7 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 135.6 | 157.3 | -78.1 | -178.4 | 177.2 | 174.5 | 0 | 109.5 | ||
| 737 | G | 38.7 | Very low | 42.2 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65 | 159.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 738 | P | 41.5 | Very low | 42.6 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 141.6 | -176 | 29.1 | -35.2 | 0 | 0 | 0 | 112.2 | ||
| 739 | P | 38.7 | Very low | 42.6 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 151.1 | 171.5 | 31.2 | -34.5 | 0 | 0 | 0 | 111.6 | L741 | P739-L741 PolarHBondContact O-N 2.84Š|
| 740 | S | 35.7 | Very low | 41.4 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.6 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | H742 | S740-H742 PolarHBondContact O-N 3.25Š|
| 741 | L | 33.9 | Very low | 40.7 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -91.5 | 86.3 | 175.9 | -153.5 | 170.1 | 0 | 0 | 0 | 110.6 | P739 | P739-L741 PolarHBondContact O-N 2.84Š| ||
| 742 | H | 38.4 | Very low | 39.8 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | -83.2 | 160 | 160.1 | -95.6 | -74.5 | 0 | 0 | 0 | 110.6 | S740 | S740-H742 PolarHBondContact O-N 3.25Š| ||
| 743 | Q | 39 | Very low | 39 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | 73.8 | 79.6 | 161.7 | -161.7 | 177.9 | 101.7 | 0 | 0 | 117.1 | ||||
| 744 | L | 33.7 | Very low | 38.8 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -146 | 120.6 | 133.1 | -103.9 | 173.2 | 0 | 0 | 0 | 108 | ||||
| 745 | A | 39.5 | Very low | 39.2 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 144.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 746 | P | 44.2 | Very low | 39.7 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.6 | 173.8 | 30.7 | -34.2 | 0 | 0 | 0 | 111 | ||
| 747 | P | 43.3 | Very low | 40.1 | Very low | 102 Ų | 102 | 144 Ų | 144 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -69.3 | 170.7 | 164.8 | 30.3 | -32.9 | 0 | 0 | 0 | 111.1 | ||
| 748 | W | 42.3 | Very low | 40.4 | Very low | 253 Ų | 253 | 150 Ų | 150 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | 75.6 | 62.7 | 177.4 | -47.5 | 97.6 | 0 | 0 | 0 | 116.5 | ||||
| 749 | A | 39.2 | Very low | 40.5 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -122.8 | 111.7 | 151 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 750 | G | 41.5 | Very low | 40.6 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -159.3 | 128.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 751 | P | 39.9 | Very low | 41.2 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -74.9 | 152.6 | -167.6 | 28.6 | -35.2 | 0 | 0 | 0 | 114 | R753 | P751-R753 PolarHBondContact O-N 2.89Š| ||
| 752 | S | 38.4 | Very low | 41.6 | Very low | 98 Ų | 98 | 157 Ų | 157 | 69% | 0.685 | 83% | 0.834 | S | S | * | * | trans | -61.3 | 129.3 | -177.3 | -60.8 | 0 | 0 | 0 | 0 | 113 | L754 | S752-L754 PolarHBondContact O-N 2.78Š| ||
| 753 | R | 41.6 | Very low | 41.8 | Very low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 51.1 | 176 | -164.1 | -166.3 | 175.3 | -170.1 | 0.3 | 112.7 | P751 | P751-R753 PolarHBondContact O-N 2.89Š|
| 754 | L | 42.6 | Very low | 41.9 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 80% | 0.801 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | -26.3 | 174.2 | -117.2 | 79.5 | 0 | 0 | 0 | 113.5 | S752 R756 | S752-L754 PolarHBondContact O-N 2.78Å; L754-R756 VanDerWaalsContact C-N 3.26Å; L754-R756 PolarHBondContact O-N 3.35Å; L754-R756 VanDerWaalsContact O-N 3.15Å |
| 755 | E | 42.7 | Very low | 42.4 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -85.9 | 28.7 | -175 | -60.3 | -179.7 | 143.8 | 0 | 0 | 114.1 | ||
| 756 | R | 43.1 | Very low | 42.6 | Very low | 226 Ų | 226 | 157.8 Ų | 157.8 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -126.9 | 38.6 | -176.5 | -154.8 | -170.1 | -68.6 | -179.6 | -2.8 | 114 | L754 | L754-R756 VanDerWaalsContact C-N 3.26Å; L754-R756 PolarHBondContact O-N 3.35Å; L754-R756 VanDerWaalsContact O-N 3.15Å |
| 757 | I | 45.2 | Very low | 42.5 | Very low | 152 Ų | 152 | 160.3 Ų | 160.3 | 78% | 0.779 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -125.6 | -17.7 | 173.2 | -59.2 | -177.1 | 0 | 0 | 0 | 111.8 | ||
| 758 | E | 44.2 | Very low | 42.4 | Very low | 191 Ų | 191 | 164.2 Ų | 164.2 | 89% | 0.893 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -102.2 | 48.1 | 179.3 | -62.2 | -174.7 | 165 | 0 | 0 | 112.9 | ||
| 759 | S | 42.6 | Very low | 42.4 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | trans | -151.8 | 47.4 | 174.7 | -77 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 760 | T | 42 | Very low | 42.7 | Very low | 141 Ų | 141 | 161.8 Ų | 161.8 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | trans | -142 | 96.2 | 159.9 | 51.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 761 | E | 48.5 | Very low | 42.8 | Very low | 178 Ų | 178 | 169.4 Ų | 169.4 | 83% | 0.832 | 86% | 0.855 | S | S | * | * | trans | -118 | 143 | 176.9 | -158 | -173 | 175.1 | 0 | 0 | 109.2 | ||||
| 762 | I | 42.6 | Very low | 43 | Very low | 235 Ų | 235 | 173.2 Ų | 173.2 | 100% | 1.205 | 86% | 0.858 | S | S | * | * | trans | 68.1 | 0 | 178.4 | -40.5 | -172.1 | 0 | 0 | 0 | 115 |
Retrieved 762 of 762 residues in 178.7 ms
(Link to these results)